CDK 9/16/09,10:8 37 40 0 0 0 0 0 0 0 0999 V2000 -4.2921 -19.7501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2836 -20.5738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5682 -20.9804 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8572 -20.5633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8657 -19.7395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5811 -19.3245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5638 -21.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2744 -22.2234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8448 -22.2129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5855 -18.5006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3046 -18.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3090 -17.2640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1577 -18.4890 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.7468 -17.7712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5688 -19.2067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4401 -18.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9277 -17.6802 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.7586 -16.8706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4764 -16.4596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0890 -17.0153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0297 -16.4903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6643 -16.9364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7350 -15.2902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0068 -15.6707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4338 -15.7346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3981 -16.5578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1644 -15.3538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8594 -15.7961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5900 -15.4153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1342 -21.7962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4180 -22.2006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7095 -21.7873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7108 -20.9631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4270 -20.5538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1417 -20.9688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8750 -18.0813 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0194 -18.5071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 14 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 21 22 2 0 0 0 0 22 26 1 0 0 0 0 5 6 1 0 0 0 0 25 23 1 0 0 0 0 3 7 1 0 0 0 0 23 24 2 0 0 0 0 24 21 1 0 0 0 0 18 21 1 0 0 0 0 25 26 2 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 6 1 6 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 10 11 1 0 0 0 0 28 29 1 0 0 0 0 11 12 2 0 0 0 0 9 30 1 0 0 0 0 30 31 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 13 16 2 0 0 0 0 30 35 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 14 17 1 0 0 0 0 10 36 1 0 0 0 0 36 13 1 0 0 0 0 11 37 1 0 0 0 0 M END > 9.39794000867204 > 5.7594507517174 $$$$ 11280715432D 1 1.00000 0.00000 0 31 32 0 0 0 999 V2000 -0.3583 1.4208 0.0000 S 0 0 3 0 0 0 0 0 0 -0.3708 0.5958 0.0000 N 0 0 3 0 0 0 0 0 0 -1.1208 0.2375 0.0000 C 0 0 3 0 0 0 0 0 0 -1.2083 -1.9292 0.0000 S 0 0 3 0 0 0 0 0 0 -0.7958 -1.2167 0.0000 N 0 0 3 0 0 0 0 0 0 -1.3083 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7583 0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0.4667 1.4208 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1833 1.4208 0.0000 O 0 0 0 0 0 0 0 0 0 -0.3583 2.2458 0.0000 O 0 0 0 0 0 0 0 0 0 2.9542 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 3.3667 -0.7417 0.0000 C 0 0 0 0 0 0 0 0 0 -1.9333 -1.5167 0.0000 O 0 0 0 0 0 0 0 0 0 -0.4958 -2.3417 0.0000 O 0 0 0 0 0 0 0 0 0 -1.7583 1.5958 0.0000 O 0 0 0 0 0 0 0 0 0 -2.5083 0.4083 0.0000 N 0 0 0 0 0 0 0 0 0 0.3792 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0.8792 0.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0.8792 2.1333 0.0000 C 0 0 0 0 0 0 0 0 0 -1.6333 -2.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0.0292 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0.5542 -0.5917 0.0000 C 0 0 0 0 0 0 0 0 0 2.1292 1.4083 0.0000 C 0 0 0 0 0 0 0 0 0 1.7042 2.1333 0.0000 C 0 0 0 0 0 0 0 0 0 1.7042 0.6958 0.0000 C 0 0 0 0 0 0 0 0 0 -3.1833 0.8708 0.0000 O 0 0 0 0 0 0 0 0 0 3.3667 0.6958 0.0000 C 0 0 0 0 0 0 0 0 0 2.9542 1.4083 0.0000 O 0 0 0 0 0 0 0 0 0 3.7792 -1.4542 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4583 -2.6375 0.0000 C 0 0 0 0 0 0 0 0 0 -2.8708 -3.3542 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 6 3 1 0 0 0 7 3 1 0 0 0 8 1 1 0 0 0 9 1 2 0 0 0 10 1 2 0 0 0 11 27 1 0 0 0 12 11 3 0 0 0 13 4 2 0 0 0 14 4 2 0 0 0 15 7 2 0 0 0 16 7 1 0 0 0 17 2 1 0 0 0 18 8 2 0 0 0 19 8 1 0 0 0 20 4 1 0 0 0 21 22 1 0 0 0 22 17 1 0 0 0 23 24 1 0 0 0 24 19 2 0 0 0 25 18 1 0 0 0 26 16 1 0 0 0 27 28 1 0 0 0 28 23 1 0 0 0 29 12 1 0 0 0 30 20 1 0 0 0 31 30 1 0 0 0 23 25 2 0 0 0 21 5 1 0 0 0 M END > 6.85387196432176 > 5.944621668625 $$$$ 11280715152D 1 1.00000 0.00000 0 29 31 0 0 0 999 V2000 6.6750 -5.7167 0.0000 S 0 0 3 0 0 0 0 0 0 6.3792 -6.5000 0.0000 N 0 0 3 0 0 0 0 0 0 5.5667 -6.5625 0.0000 C 0 0 3 0 0 0 0 0 0 5.3417 -8.0292 0.0000 N 0 0 3 0 0 0 0 0 0 5.1042 -7.2417 0.0000 C 0 0 0 0 0 0 0 0 0 6.9500 -7.1000 0.0000 C 0 0 0 0 0 0 0 0 0 5.1542 -5.8375 0.0000 C 0 0 0 0 0 0 0 0 0 6.1167 -8.3292 0.0000 C 0 0 0 0 0 0 0 0 0 6.8292 -7.9167 0.0000 C 0 0 0 0 0 0 0 0 0 4.7292 -8.5792 0.0000 C 0 0 0 0 0 0 0 0 0 6.9625 -4.9375 0.0000 C 0 0 0 0 0 0 0 0 0 6.0792 -5.0250 0.0000 O 0 0 0 0 0 0 0 0 0 7.5125 -5.4292 0.0000 O 0 0 0 0 0 0 0 0 0 5.5792 -5.1167 0.0000 O 0 0 0 0 0 0 0 0 0 3.9500 -8.3292 0.0000 O 0 0 0 0 0 0 0 0 0 4.3292 -5.8292 0.0000 N 0 0 0 0 0 0 0 0 0 6.4375 -4.3042 0.0000 C 0 0 0 0 0 0 0 0 0 7.7750 -4.7917 0.0000 C 0 0 0 0 0 0 0 0 0 7.5292 -3.3917 0.0000 C 0 0 0 0 0 0 0 0 0 8.0542 -4.0250 0.0000 C 0 0 0 0 0 0 0 0 0 6.7167 -3.5375 0.0000 C 0 0 0 0 0 0 0 0 0 3.9167 -5.1167 0.0000 O 0 0 0 0 0 0 0 0 0 7.5417 -8.3292 0.0000 C 0 0 0 0 0 0 0 0 0 6.1167 -9.1625 0.0000 C 0 0 0 0 0 0 0 0 0 7.8125 -2.6042 0.0000 O 0 0 0 0 0 0 0 0 0 4.9042 -9.3875 0.0000 C 0 0 0 0 0 0 0 0 0 7.2792 -1.9750 0.0000 C 0 0 0 0 0 0 0 0 0 7.5417 -9.1625 0.0000 C 0 0 0 0 0 0 0 0 0 6.8292 -9.5750 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 5 1 0 0 0 5 3 1 0 0 0 6 2 1 0 0 0 7 3 1 0 0 0 8 9 1 0 0 0 9 6 1 0 0 0 10 4 1 0 0 0 11 1 1 0 0 0 12 1 2 0 0 0 13 1 2 0 0 0 14 7 2 0 0 0 15 10 2 0 0 0 16 7 1 0 0 0 17 11 1 0 0 0 18 11 2 0 0 0 19 20 2 0 0 0 20 18 1 0 0 0 21 17 2 0 0 0 22 16 1 0 0 0 23 9 2 0 0 0 24 8 2 0 0 0 25 19 1 0 0 0 26 10 1 0 0 0 27 25 1 0 0 0 28 23 1 0 0 0 29 28 2 0 0 0 19 21 1 0 0 0 4 8 1 0 0 0 29 24 1 0 0 0 M END > 9 > 7.74472749489669 $$$$ 11280715082D 1 1.00000 0.00000 0 30 32 0 0 0 999 V2000 8.6625 -0.3875 0.0000 C 0 0 3 0 0 0 0 0 0 7.9500 -0.8042 0.0000 S 0 0 3 0 0 0 0 0 0 9.3792 -0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 7.9542 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 9.3750 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 7.2292 -0.3917 0.0000 C 0 0 0 0 0 0 0 0 0 8.5292 -1.3875 0.0000 O 0 0 0 0 0 0 0 0 0 7.3625 -1.3875 0.0000 O 0 0 0 0 0 0 0 0 0 8.6625 1.2625 0.0000 N 0 0 3 0 0 0 0 0 0 9.3917 -1.6125 0.0000 O 0 0 0 0 0 0 0 0 0 10.0917 -0.3667 0.0000 N 0 0 0 0 0 0 0 0 0 7.9542 0.8458 0.0000 C 0 0 0 0 0 0 0 0 0 9.3750 0.8458 0.0000 C 0 0 0 0 0 0 0 0 0 6.5167 -0.8042 0.0000 C 0 0 0 0 0 0 0 0 0 7.2292 0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 5.8042 0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 5.8042 -0.3917 0.0000 C 0 0 0 0 0 0 0 0 0 6.5167 0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 10.8125 -0.7667 0.0000 O 0 0 0 0 0 0 0 0 0 8.6625 2.0875 0.0000 C 0 0 0 0 0 0 0 0 0 5.0875 0.8500 0.0000 O 0 0 0 0 0 0 0 0 0 8.6667 3.7333 0.0000 C 0 0 0 0 0 0 0 0 0 9.3792 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 9.3792 3.3208 0.0000 C 0 0 0 0 0 0 0 0 0 4.3750 0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 8.6667 4.5542 0.0000 C 0 0 0 0 0 0 0 0 0 7.9542 3.3208 0.0000 C 0 0 0 0 0 0 0 0 0 7.2417 3.7333 0.0000 C 0 0 0 0 0 0 0 0 0 7.9542 4.9667 0.0000 C 0 0 0 0 0 0 0 0 0 7.2417 4.5542 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 1 1 0 0 0 5 1 1 0 0 0 6 2 1 0 0 0 7 2 2 0 0 0 8 2 2 0 0 0 9 13 1 0 0 0 10 3 2 0 0 0 11 3 1 0 0 0 12 4 1 0 0 0 13 5 1 0 0 0 14 6 2 0 0 0 15 6 1 0 0 0 16 18 1 0 0 0 17 14 1 0 0 0 18 15 2 0 0 0 19 11 1 0 0 0 20 9 1 0 0 0 21 16 1 0 0 0 22 24 1 0 0 0 23 20 1 0 0 0 24 23 1 0 0 0 25 21 1 0 0 0 26 22 2 0 0 0 27 22 1 0 0 0 28 27 2 0 0 0 29 26 1 0 0 0 30 28 1 0 0 0 12 9 1 0 0 0 16 17 2 0 0 0 29 30 2 0 0 0 M END > 7.95860731484177 > 5.71444269099223 $$$$ CDK 5/12/10,14:52 27 29 0 0 0 0 0 0 0 0999 V2000 -2.7514 -14.9666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7526 -15.7940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0378 -16.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3213 -15.7935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3242 -14.9630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0396 -14.5539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0420 -13.7289 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.3288 -13.3142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4625 -13.0083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8458 -13.9375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6152 -13.7270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0975 -13.3131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0955 -12.4872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6252 -12.0770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3350 -12.4933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4660 -14.5543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1804 -14.9670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1802 -15.7920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8949 -14.5546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8069 -12.0723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5234 -12.4834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2356 -12.0686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2325 -11.2427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5112 -10.8335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8020 -11.2507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9446 -10.8262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6614 -11.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 13 14 1 0 0 0 0 6 7 1 0 0 0 0 14 15 2 0 0 0 0 15 8 1 0 0 0 0 3 4 2 0 0 0 0 1 16 1 0 0 0 0 7 8 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 7 9 2 0 0 0 0 17 19 1 0 0 0 0 4 5 1 0 0 0 0 7 10 2 0 0 0 0 20 21 2 0 0 0 0 2 3 1 0 0 0 0 21 22 1 0 0 0 0 8 11 2 0 0 0 0 22 23 2 0 0 0 0 5 6 2 0 0 0 0 23 24 1 0 0 0 0 11 12 1 0 0 0 0 24 25 2 0 0 0 0 25 20 1 0 0 0 0 13 20 1 0 0 0 0 6 1 1 0 0 0 0 23 26 1 0 0 0 0 12 13 2 0 0 0 0 26 27 1 0 0 0 0 M END > 7.10790539730952 > 5.35654732351381 $$$$ 11280715212D 1 1.00000 0.00000 0 25 26 0 0 0 999 V2000 0.0000 1.7333 0.0000 S 0 0 3 0 0 0 0 0 0 -1.4333 1.7458 0.0000 C 0 0 3 0 0 0 0 0 0 -0.7208 2.1583 0.0000 N 0 0 0 0 0 0 0 0 0 -2.1500 2.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0.7167 1.3083 0.0000 C 0 0 0 0 0 0 0 0 0 -0.4250 1.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0.4250 2.4583 0.0000 O 0 0 0 0 0 0 0 0 0 -2.1500 2.9875 0.0000 O 0 0 0 0 0 0 0 0 0 -2.8625 1.7458 0.0000 N 0 0 0 0 0 0 0 0 0 2.8667 0.0583 0.0000 O 0 0 0 0 0 0 0 0 0 1.4292 1.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0.7167 0.4833 0.0000 C 0 0 0 0 0 0 0 0 0 2.1500 0.4833 0.0000 C 0 0 0 0 0 0 0 0 0 2.8667 -0.7667 0.0000 C 0 0 0 0 0 0 0 0 0 2.8625 -2.4250 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8500 1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 -2.1500 1.3375 0.0000 C 0 0 0 0 0 0 0 0 0 1.4292 0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 2.1500 1.3083 0.0000 C 0 0 0 0 0 0 0 0 0 2.8542 -3.2500 0.0000 F 0 0 0 0 0 0 0 0 0 -2.8625 0.9208 0.0000 O 0 0 0 0 0 0 0 0 0 3.5792 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 2.1417 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 2.1417 -2.0042 0.0000 C 0 0 0 0 0 0 0 0 0 3.5792 -2.0042 0.0000 C 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 3 1 1 0 0 0 4 2 1 0 0 0 5 1 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 4 2 0 0 0 9 4 1 0 0 0 10 13 1 0 0 0 11 5 1 0 0 0 12 5 2 0 0 0 13 18 2 0 0 0 14 10 1 0 0 0 15 24 2 0 0 0 16 2 1 0 0 0 17 2 1 0 0 0 18 12 1 0 0 0 19 11 2 0 0 0 20 15 1 0 0 0 21 9 1 0 0 0 22 14 1 0 0 0 23 14 2 0 0 0 24 23 1 0 0 0 25 22 2 0 0 0 19 13 1 0 0 0 15 25 1 0 0 0 M END > 9.04575749056067 > 5.92081875395237 $$$$ 11280715172D 1 1.00000 0.00000 0 32 34 0 1 0 999 V2000 1.5542 -1.4792 0.0000 N 0 0 3 0 0 0 0 0 0 1.5917 -0.8167 0.0000 S 0 0 3 0 0 0 0 0 0 1.9792 -1.9042 0.0000 C 0 0 2 0 0 0 0 0 0 1.0500 -2.5042 0.0000 C 0 0 3 0 0 0 0 0 0 1.9750 -2.5042 0.0000 C 0 0 3 0 0 0 0 0 0 1.0292 -1.7875 0.0000 C 0 0 0 0 0 0 0 0 0 2.5542 -1.7417 0.0000 C 0 0 0 0 0 0 0 0 0 1.7125 -0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 1.0167 -0.8500 0.0000 O 0 0 0 0 0 0 0 0 0 2.1292 -0.8500 0.0000 O 0 0 0 0 0 0 0 0 0 2.5500 -1.2625 0.0000 O 0 0 0 0 0 0 0 0 0 2.3917 -2.9292 0.0000 C 0 0 1 0 0 0 0 0 0 3.0667 -2.0417 0.0000 N 0 0 0 0 0 0 0 0 0 2.9042 -3.8292 0.0000 S 0 0 0 0 0 0 0 0 0 2.3917 -3.5292 0.0000 C 0 0 0 0 0 0 0 0 0 1.3417 0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 2.3042 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 2.1542 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0.8250 -2.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0.5417 -2.5042 0.0000 C 0 0 0 0 0 0 0 0 0 2.9042 -4.4292 0.0000 C 0 0 0 0 0 0 0 0 0 1.5625 0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 2.5292 0.3958 0.0000 C 0 0 0 0 0 0 0 0 0 3.6667 -2.0417 0.0000 O 0 0 0 0 0 0 0 0 0 1.8667 -3.2250 0.0000 O 0 0 0 0 0 0 0 0 0 2.3667 1.4208 0.0000 O 0 0 0 0 0 0 0 0 0 3.4292 -4.7250 0.0000 C 0 0 0 0 0 0 0 0 0 2.3792 -4.7250 0.0000 C 0 0 0 0 0 0 0 0 0 2.9625 1.5208 0.0000 C 0 0 0 0 0 0 0 0 0 2.3792 -5.3250 0.0000 C 0 0 0 0 0 0 0 0 0 3.4292 -5.3250 0.0000 C 0 0 0 0 0 0 0 0 0 2.9042 -5.6250 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 6 1 0 0 0 3 5 1 1 0 0 6 1 1 0 0 0 7 3 1 0 0 0 8 2 1 0 0 0 9 2 2 0 0 0 10 2 2 0 0 0 11 7 2 0 0 0 12 5 1 0 0 0 13 7 1 0 0 0 14 15 1 0 0 0 15 12 1 0 0 0 16 8 1 0 0 0 17 8 2 0 0 0 18 23 2 0 0 0 19 4 1 0 0 0 20 4 1 0 0 0 21 14 1 0 0 0 22 16 2 0 0 0 23 17 1 0 0 0 24 13 1 0 0 0 12 25 1 6 0 0 26 18 1 0 0 0 27 21 1 0 0 0 28 21 2 0 0 0 29 26 1 0 0 0 30 28 1 0 0 0 31 27 2 0 0 0 32 30 2 0 0 0 5 4 1 0 0 0 22 18 1 0 0 0 31 32 1 0 0 0 M END > 8.43179827593301 > 6.93181413825384 $$$$ 11280715502D 1 1.00000 0.00000 0 30 31 0 1 0 999 V2000 13.5062 -12.0211 0.0000 C 0 0 0 0 0 0 0 0 0 13.5051 -12.8479 0.0000 C 0 0 0 0 0 0 0 0 0 14.2194 -13.2606 0.0000 C 0 0 0 0 0 0 0 0 0 14.9353 -12.8474 0.0000 C 0 0 0 0 0 0 0 0 0 14.9325 -12.0175 0.0000 C 0 0 0 0 0 0 0 0 0 14.2176 -11.6087 0.0000 C 0 0 0 0 0 0 0 0 0 12.7866 -13.2720 0.0000 S 0 0 3 0 0 0 0 0 0 12.0628 -13.6951 0.0000 N 0 0 3 0 0 0 0 0 0 13.2118 -13.9924 0.0000 O 0 0 0 0 0 0 0 0 0 12.3590 -12.5508 0.0000 O 0 0 0 0 0 0 0 0 0 11.3388 -13.2894 0.0000 C 0 0 2 0 0 0 0 0 0 10.6296 -13.7089 0.0000 C 0 0 3 0 0 0 0 0 0 10.6382 -14.5397 0.0000 S 0 0 0 0 0 0 0 0 0 11.3706 -14.9411 0.0000 C 0 0 0 0 0 0 0 0 0 12.0776 -14.5243 0.0000 C 0 0 0 0 0 0 0 0 0 11.3237 -12.4650 0.0000 C 0 0 0 0 0 0 0 0 0 12.0260 -12.0406 0.0000 O 0 0 0 0 0 0 0 0 0 10.5980 -12.0609 0.0000 N 0 0 0 0 0 0 0 0 0 10.5871 -11.2365 0.0000 O 0 0 0 0 0 0 0 0 0 15.6498 -11.5965 0.0000 O 0 0 0 0 0 0 0 0 0 16.3637 -12.0141 0.0000 C 0 0 0 0 0 0 0 0 0 16.3537 -12.8395 0.0000 C 0 0 0 0 0 0 0 0 0 16.3494 -13.6701 0.0000 C 0 0 0 0 0 0 0 0 0 16.3402 -14.5020 0.0000 C 0 0 0 0 0 0 0 0 0 10.4139 -12.9122 0.0000 C 0 0 0 0 0 0 0 0 0 9.8060 -13.6617 0.0000 C 0 0 0 0 0 0 0 0 0 15.6218 -14.9065 0.0000 C 0 0 0 0 0 0 0 0 0 14.9124 -14.4863 0.0000 C 0 0 0 0 0 0 0 0 0 14.1938 -14.8908 0.0000 C 0 0 0 0 0 0 0 0 0 13.4844 -14.4706 0.0000 O 0 0 0 0 0 0 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 3 4 2 0 0 0 11 16 1 0 0 0 7 8 1 0 0 0 16 17 2 0 0 0 16 18 1 0 0 0 7 9 2 0 0 0 18 19 1 0 0 0 4 5 1 0 0 0 5 20 1 0 0 0 7 10 2 0 0 0 20 21 1 0 0 0 8 11 1 0 0 0 21 22 1 0 0 0 2 3 1 0 0 0 22 23 3 0 0 0 5 6 2 0 0 0 23 24 1 0 0 0 6 1 1 0 0 0 12 25 1 0 0 0 1 2 2 0 0 0 12 26 1 0 0 0 2 7 1 0 0 0 24 27 1 0 0 0 8 15 1 0 0 0 27 28 1 0 0 0 11 12 1 6 0 0 28 29 1 0 0 0 12 13 1 0 0 0 29 30 1 0 0 0 M END > 7.76955107862173 > 6.99567862621736 $$$$ 11280715082D 1 1.00000 0.00000 0 33 34 0 0 0 999 V2000 5.2417 -2.8917 0.0000 C 0 0 3 0 0 0 0 0 0 4.4167 -2.8917 0.0000 S 0 0 3 0 0 0 0 0 0 5.2542 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0 5.2417 -3.7250 0.0000 C 0 0 0 0 0 0 0 0 0 4.4167 -2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 4.4125 -3.7250 0.0000 O 0 0 0 0 0 0 0 0 0 10.2417 -4.9667 0.0000 N 0 0 3 0 0 0 0 0 0 4.6667 -1.4792 0.0000 O 0 0 0 0 0 0 0 0 0 5.9750 -1.6542 0.0000 N 0 0 0 0 0 0 0 0 0 5.9542 -4.1417 0.0000 C 0 0 0 0 0 0 0 0 0 3.5792 -2.8917 0.0000 C 0 0 0 0 0 0 0 0 0 6.0792 -2.9000 0.0000 C 0 0 0 0 0 0 0 0 0 7.3792 -4.9667 0.0000 C 0 0 0 0 0 0 0 0 0 5.9667 -0.8167 0.0000 O 0 0 0 0 0 0 0 0 0 5.9542 -4.9667 0.0000 C 0 0 0 0 0 0 0 0 0 6.6667 -3.7292 0.0000 C 0 0 0 0 0 0 0 0 0 7.3792 -4.1292 0.0000 C 0 0 0 0 0 0 0 0 0 6.6667 -5.3792 0.0000 C 0 0 0 0 0 0 0 0 0 8.0917 -5.3792 0.0000 O 0 0 0 0 0 0 0 0 0 9.5250 -5.3792 0.0000 C 0 0 0 0 0 0 0 0 0 8.8125 -4.9667 0.0000 C 0 0 0 0 0 0 0 0 0 10.9500 -5.3875 0.0000 C 0 0 0 0 0 0 0 0 0 10.2375 -4.1500 0.0000 C 0 0 0 0 0 0 0 0 0 3.1750 -2.1667 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1333 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0.6917 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 2.3417 -2.1667 0.0000 C 0 0 0 0 0 0 0 0 0 1.9292 -1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 1.1042 -1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 10.9542 -3.7375 0.0000 C 0 0 0 0 0 0 0 0 0 11.6667 -4.9792 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5458 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 11.6667 -4.1542 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 1 1 0 0 0 5 2 2 0 0 0 6 2 2 0 0 0 7 20 1 0 0 0 8 3 2 0 0 0 9 3 1 0 0 0 10 4 1 0 0 0 11 2 1 0 0 0 12 1 1 0 0 0 13 17 1 0 0 0 14 9 1 0 0 0 15 10 2 0 0 0 16 10 1 0 0 0 17 16 2 0 0 0 18 15 1 0 0 0 19 13 1 0 0 0 20 21 1 0 0 0 21 19 1 0 0 0 22 7 1 0 0 0 23 7 1 0 0 0 24 11 1 0 0 0 25 26 1 0 0 0 26 29 1 0 0 0 27 24 1 0 0 0 28 27 1 0 0 0 29 28 1 0 0 0 30 23 1 0 0 0 31 22 1 0 0 0 32 25 1 0 0 0 33 30 1 0 0 0 13 18 2 0 0 0 33 31 1 0 0 0 M END > 7.25963731050576 > 8 $$$$ CDK 9/16/09,9:57 31 32 0 0 0 0 0 0 0 0999 V2000 -3.2583 -0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2625 -1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5540 -1.4846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8369 -1.0780 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8327 -0.2530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5457 0.1654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1556 2.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1568 1.5435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4419 1.1306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7255 1.5440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7284 2.3745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4437 2.7836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0154 2.7897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7006 2.3799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7037 1.5549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6958 0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6880 -0.0916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8716 1.1316 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.4625 0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3709 1.7883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3678 0.4782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0583 -0.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1251 -1.4951 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.4167 -1.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4167 -2.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2978 -1.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5399 -2.2083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7042 -0.7855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6404 0.1263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2736 -1.2548 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0709 -1.4666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7 8 2 0 0 0 0 15 16 3 0 0 0 0 1 6 1 0 0 0 0 16 17 1 0 0 0 0 8 9 1 0 0 0 0 8 18 1 0 0 0 0 2 3 1 0 0 0 0 18 19 1 0 0 0 0 9 10 2 0 0 0 0 18 20 2 0 0 0 0 3 4 1 0 0 0 0 18 21 2 0 0 0 0 19 1 1 0 0 0 0 10 11 1 0 0 0 0 1 22 1 0 0 0 0 4 5 1 0 0 0 0 4 23 1 0 0 0 0 11 12 2 0 0 0 0 23 24 1 0 0 0 0 12 7 1 0 0 0 0 24 25 1 0 0 0 0 5 6 1 0 0 0 0 24 26 1 0 0 0 0 11 13 1 0 0 0 0 23 27 2 0 0 0 0 23 28 2 0 0 0 0 13 14 1 0 0 0 0 22 29 2 0 0 0 0 1 2 1 0 0 0 0 22 30 1 0 0 0 0 14 15 1 0 0 0 0 30 31 1 0 0 0 0 M END > 6.80410034759077 > 5.0565054840939 $$$$ 11280715172D 1 1.00000 0.00000 0 24 25 0 1 0 999 V2000 10.2417 -1.6167 0.0000 S 0 0 3 0 0 0 0 0 0 10.1792 -2.2417 0.0000 N 0 0 3 0 0 0 0 0 0 10.6000 -2.6417 0.0000 C 0 0 2 0 0 0 0 0 0 10.5917 -3.2292 0.0000 C 0 0 3 0 0 0 0 0 0 9.6792 -2.5250 0.0000 C 0 0 0 0 0 0 0 0 0 9.6792 -3.2417 0.0000 C 0 0 3 0 0 0 0 0 0 11.1542 -2.4917 0.0000 C 0 0 0 0 0 0 0 0 0 10.2417 -0.9375 0.0000 C 0 0 0 0 0 0 0 0 0 9.7125 -1.6167 0.0000 O 0 0 0 0 0 0 0 0 0 10.7417 -1.6167 0.0000 O 0 0 0 0 0 0 0 0 0 11.1167 -2.0292 0.0000 O 0 0 0 0 0 0 0 0 0 11.6667 -2.7792 0.0000 N 0 0 0 0 0 0 0 0 0 9.8792 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 10.8167 -0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 10.6667 0.1583 0.0000 C 0 0 0 0 0 0 0 0 0 11.0000 -3.6417 0.0000 C 0 0 0 0 0 0 0 0 0 10.0917 0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 11.0292 -0.2625 0.0000 C 0 0 0 0 0 0 0 0 0 9.4625 -3.8042 0.0000 C 0 0 0 0 0 0 0 0 0 9.1167 -3.2417 0.0000 C 0 0 0 0 0 0 0 0 0 12.2500 -2.7792 0.0000 O 0 0 0 0 0 0 0 0 0 10.8792 0.7000 0.0000 O 0 0 0 0 0 0 0 0 0 11.0000 -4.2250 0.0000 O 0 0 0 0 0 0 0 0 0 11.4542 0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 3 4 1 1 0 0 5 2 1 0 0 0 6 5 1 0 0 0 7 3 1 0 0 0 8 1 1 0 0 0 9 1 2 0 0 0 10 1 2 0 0 0 11 7 2 0 0 0 12 7 1 0 0 0 13 8 1 0 0 0 14 8 2 0 0 0 15 18 2 0 0 0 16 4 1 0 0 0 17 13 2 0 0 0 18 14 1 0 0 0 19 6 1 0 0 0 20 6 1 0 0 0 21 12 1 0 0 0 22 15 1 0 0 0 23 16 1 0 0 0 24 22 1 0 0 0 15 17 1 0 0 0 4 6 1 0 0 0 M END > 6.66154350639539 > 5.05749589383192 $$$$ 11280715152D 1 1.00000 0.00000 0 37 40 0 0 0 999 V2000 1.9542 -0.8375 0.0000 S 0 0 3 0 0 0 0 0 0 1.6625 -1.6167 0.0000 N 0 0 3 0 0 0 0 0 0 0.6250 -3.1500 0.0000 N 0 0 3 0 0 0 0 0 0 0.8500 -1.6792 0.0000 C 0 0 3 0 0 0 0 0 0 0.0125 -3.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0.3792 -2.3625 0.0000 C 0 0 0 0 0 0 0 0 0 2.2292 -2.2167 0.0000 C 0 0 0 0 0 0 0 0 0 1.3917 -3.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0.4375 -0.9542 0.0000 C 0 0 0 0 0 0 0 0 0 2.1042 -3.0417 0.0000 C 0 0 0 0 0 0 0 0 0 2.2417 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 2.7292 -1.1250 0.0000 O 0 0 0 0 0 0 0 0 0 1.1750 -0.5500 0.0000 O 0 0 0 0 0 0 0 0 0 2.8375 3.6833 0.0000 C 0 0 0 0 0 0 0 0 0 3.1167 4.4542 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7708 -3.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0.1875 -4.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0.8542 -0.2417 0.0000 O 0 0 0 0 0 0 0 0 0 -0.3875 -0.9542 0.0000 N 0 0 0 0 0 0 0 0 0 1.7167 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 3.0542 0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 2.8042 1.4875 0.0000 C 0 0 0 0 0 0 0 0 0 3.3375 0.8583 0.0000 C 0 0 0 0 0 0 0 0 0 2.0000 1.3458 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8000 -0.2417 0.0000 O 0 0 0 0 0 0 0 0 0 2.8250 -3.4542 0.0000 C 0 0 0 0 0 0 0 0 0 2.5542 2.9083 0.0000 C 0 0 0 0 0 0 0 0 0 1.3917 -4.2792 0.0000 C 0 0 0 0 0 0 0 0 0 3.0917 2.2708 0.0000 O 0 0 0 0 0 0 0 0 0 3.3917 5.2292 0.0000 C 0 0 0 0 0 0 0 0 0 -0.4208 -5.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0.9750 -4.7625 0.0000 C 0 0 0 0 0 0 0 0 0 2.8250 -4.2792 0.0000 C 0 0 0 0 0 0 0 0 0 2.1042 -4.6917 0.0000 C 0 0 0 0 0 0 0 0 0 1.1500 -5.5667 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2458 -5.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0.5375 -6.1167 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 6 1 0 0 0 4 2 1 0 0 0 5 3 1 0 0 0 6 4 1 0 0 0 7 2 1 0 0 0 8 10 1 0 0 0 9 4 1 0 0 0 10 7 1 0 0 0 11 1 1 0 0 0 12 1 2 0 0 0 13 1 2 0 0 0 14 27 1 0 0 0 15 14 3 0 0 0 16 5 2 0 0 0 17 5 1 0 0 0 18 9 2 0 0 0 19 9 1 0 0 0 20 11 1 0 0 0 21 11 2 0 0 0 22 23 2 0 0 0 23 21 1 0 0 0 24 20 2 0 0 0 25 19 1 0 0 0 26 10 2 0 0 0 27 29 1 0 0 0 28 8 2 0 0 0 29 22 1 0 0 0 30 15 1 0 0 0 31 17 2 0 0 0 32 17 1 0 0 0 33 26 1 0 0 0 34 33 2 0 0 0 35 32 2 0 0 0 36 31 1 0 0 0 37 35 1 0 0 0 24 22 1 0 0 0 8 3 1 0 0 0 28 34 1 0 0 0 36 37 2 0 0 0 M END > 8.02227639471115 > 6.78251605578609 $$$$ CDK 9/16/09,10:8 36 39 0 0 0 0 0 0 0 0999 V2000 9.7284 -19.0295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7370 -19.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4531 -20.2612 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1649 -19.8436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1564 -19.0189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4402 -18.6035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4358 -17.7788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7159 -17.3697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7115 -16.5409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8636 -17.7672 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.2750 -17.0486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4521 -18.4857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5821 -18.1786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0951 -16.9576 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.2643 -16.1470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5456 -15.7356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9325 -16.2919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9941 -15.7665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6887 -16.2129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7596 -14.5650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0305 -14.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4592 -15.0098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4233 -15.8340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1905 -14.6286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8863 -15.0715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4588 -21.0859 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.4515 -21.9087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2835 -21.0867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6341 -21.0870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7329 -22.3119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7252 -23.1339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4347 -23.5525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1533 -23.1430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1574 -22.3223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1463 -17.3596 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0005 -17.7852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16 17 1 0 0 0 0 17 11 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 18 19 2 0 0 0 0 19 23 1 0 0 0 0 5 6 1 0 0 0 0 22 20 1 0 0 0 0 7 6 1 6 0 0 0 20 21 2 0 0 0 0 21 18 1 0 0 0 0 15 18 1 0 0 0 0 22 23 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 3 26 1 0 0 0 0 10 11 1 0 0 0 0 26 27 1 0 0 0 0 10 12 2 0 0 0 0 26 28 2 0 0 0 0 10 13 2 0 0 0 0 26 29 2 0 0 0 0 11 14 1 0 0 0 0 27 30 2 0 0 0 0 30 31 1 0 0 0 0 1 2 1 0 0 0 0 31 32 2 0 0 0 0 1 6 1 0 0 0 0 32 33 1 0 0 0 0 2 3 1 0 0 0 0 33 34 2 0 0 0 0 34 27 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 7 35 1 0 0 0 0 35 10 1 0 0 0 0 8 36 1 0 0 0 0 M END > 8.92081875395237 > 6.18708664335714 $$$$ 11280715192D 1 1.00000 0.00000 0 29 31 0 1 0 999 V2000 8.3625 -4.3750 0.0000 S 0 0 3 0 0 0 0 0 0 3.8292 -2.2042 0.0000 N 0 0 0 0 0 0 0 0 0 5.0667 -2.9292 0.0000 C 0 0 0 0 0 0 0 0 0 5.8917 -2.9292 0.0000 N 0 0 0 0 0 0 0 0 0 4.6542 -2.2125 0.0000 N 0 0 0 0 0 0 0 0 0 6.3042 -3.6500 0.0000 C 0 0 0 0 0 0 0 0 0 7.5375 -4.3667 0.0000 N 0 0 0 0 0 0 0 0 0 7.1292 -3.6542 0.0000 C 0 0 1 0 0 0 0 0 0 3.4167 -2.9167 0.0000 C 0 0 0 0 0 0 0 0 0 4.6500 -3.6417 0.0000 S 0 0 0 0 0 0 0 0 0 8.3542 -3.5500 0.0000 O 0 0 0 0 0 0 0 0 0 9.1875 -4.3750 0.0000 O 0 0 0 0 0 0 0 0 0 2.5917 -2.9167 0.0000 C 0 0 0 0 0 0 0 0 0 3.8292 -3.6375 0.0000 C 0 0 0 0 0 0 0 0 0 8.7667 -5.0917 0.0000 C 0 0 0 0 0 0 0 0 0 5.8875 -4.3625 0.0000 O 0 0 0 0 0 0 0 0 0 2.1875 -2.2000 0.0000 C 0 0 0 0 0 0 0 0 0 2.1875 -3.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0.9417 -2.9125 0.0000 C 0 0 0 0 0 0 0 0 0 1.3625 -3.6292 0.0000 C 0 0 0 0 0 0 0 0 0 1.3625 -2.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0.1167 -2.9042 0.0000 Cl 0 0 0 0 0 0 0 0 0 8.3542 -5.8042 0.0000 C 0 0 0 0 0 0 0 0 0 7.5417 -2.9417 0.0000 C 0 0 0 0 0 0 0 0 0 7.5292 -5.7917 0.0000 C 0 0 0 0 0 0 0 0 0 8.7625 -6.5125 0.0000 C 0 0 0 0 0 0 0 0 0 8.3500 -7.2250 0.0000 C 0 0 0 0 0 0 0 0 0 7.1125 -6.5042 0.0000 C 0 0 0 0 0 0 0 0 0 7.5167 -7.2250 0.0000 C 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 3 4 1 0 0 0 4 6 1 0 0 0 5 3 2 0 0 0 6 8 1 0 0 0 7 1 1 0 0 0 8 7 1 0 0 0 9 14 1 0 0 0 10 3 1 0 0 0 11 1 2 0 0 0 12 1 2 0 0 0 13 9 1 0 0 0 14 10 1 0 0 0 15 1 1 0 0 0 16 6 2 0 0 0 17 13 2 0 0 0 18 13 1 0 0 0 19 20 1 0 0 0 20 18 2 0 0 0 21 17 1 0 0 0 22 19 1 0 0 0 23 15 1 0 0 0 8 24 1 6 0 0 25 23 2 0 0 0 26 23 1 0 0 0 27 26 2 0 0 0 28 25 1 0 0 0 29 27 1 0 0 0 28 29 2 0 0 0 2 9 2 0 0 0 21 19 2 0 0 0 M END > 6.92081875395237 > 6.44369749923271 $$$$ 11280715292D 1 1.00000 0.00000 0 25 26 0 1 0 999 V2000 6.6417 -5.9917 0.0000 S 0 0 3 0 0 0 0 0 0 6.6292 -6.8167 0.0000 N 0 0 3 0 0 0 0 0 0 5.8792 -7.1667 0.0000 C 0 0 1 0 0 0 0 0 0 5.2500 -6.6417 0.0000 C 0 0 0 0 0 0 0 0 0 5.6917 -7.9750 0.0000 C 0 0 3 0 0 0 0 0 0 6.6417 -5.1667 0.0000 C 0 0 0 0 0 0 0 0 0 5.8167 -5.9792 0.0000 O 0 0 0 0 0 0 0 0 0 7.4667 -5.9917 0.0000 O 0 0 0 0 0 0 0 0 0 6.2417 -8.6417 0.0000 S 0 0 0 0 0 0 0 0 0 5.2417 -5.8167 0.0000 O 0 0 0 0 0 0 0 0 0 4.5042 -6.9917 0.0000 N 0 0 0 0 0 0 0 0 0 7.3792 -7.1875 0.0000 C 0 0 0 0 0 0 0 0 0 7.3542 -4.7417 0.0000 C 0 0 0 0 0 0 0 0 0 5.9167 -4.7625 0.0000 C 0 0 0 0 0 0 0 0 0 5.9125 -3.9375 0.0000 C 0 0 0 0 0 0 0 0 0 7.3417 -3.9167 0.0000 C 0 0 0 0 0 0 0 0 0 6.6250 -3.5042 0.0000 C 0 0 0 0 0 0 0 0 0 3.8167 -6.5292 0.0000 O 0 0 0 0 0 0 0 0 0 7.5500 -7.9917 0.0000 C 0 0 0 0 0 0 0 0 0 7.0292 -8.6417 0.0000 C 0 0 0 0 0 0 0 0 0 5.1042 -8.5542 0.0000 C 0 0 0 0 0 0 0 0 0 4.8875 -7.7542 0.0000 C 0 0 0 0 0 0 0 0 0 6.6167 -2.6792 0.0000 C 0 0 0 0 0 0 0 0 0 7.3292 -2.2667 0.0000 C 0 0 0 0 0 0 0 0 0 7.3167 -1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 3 4 1 6 0 0 5 3 1 0 0 0 6 1 1 0 0 0 7 1 2 0 0 0 8 1 2 0 0 0 9 5 1 0 0 0 10 4 2 0 0 0 11 4 1 0 0 0 12 2 1 0 0 0 13 6 2 0 0 0 14 6 1 0 0 0 15 14 2 0 0 0 16 13 1 0 0 0 17 15 1 0 0 0 18 11 1 0 0 0 19 12 1 0 0 0 20 19 1 0 0 0 21 5 1 0 0 0 22 5 1 0 0 0 23 17 1 0 0 0 24 23 1 0 0 0 25 24 1 0 0 0 17 16 2 0 0 0 20 9 1 0 0 0 M END > 8.1249387366083 > 7.65757731917779 $$$$ 11280715002D 1 1.00000 0.00000 0 26 27 0 0 0 999 V2000 5.7042 -7.2250 0.0000 S 0 0 3 0 0 0 0 0 0 5.1792 -6.9250 0.0000 N 0 0 3 0 0 0 0 0 0 7.2667 -5.1125 0.0000 N 0 3 0 0 0 0 0 0 0 4.6542 -7.2250 0.0000 C 0 0 0 0 0 0 0 0 0 4.1292 -6.9250 0.0000 C 0 0 0 0 0 0 0 0 0 6.2292 -7.5292 0.0000 C 0 0 0 0 0 0 0 0 0 6.0125 -6.7042 0.0000 O 0 0 0 0 0 0 0 0 0 5.4000 -7.7500 0.0000 O 0 0 0 0 0 0 0 0 0 6.7500 -5.4125 0.0000 C 0 0 0 0 0 0 0 0 0 7.7917 -5.4125 0.0000 O 0 5 0 0 0 0 0 0 0 5.1792 -6.3167 0.0000 C 0 0 0 0 0 0 0 0 0 7.2667 -4.5042 0.0000 O 0 0 0 0 0 0 0 0 0 3.6125 -7.2250 0.0000 O 0 0 0 0 0 0 0 0 0 4.1292 -6.3167 0.0000 N 0 0 0 0 0 0 0 0 0 6.2167 -8.1292 0.0000 C 0 0 0 0 0 0 0 0 0 6.7417 -7.2250 0.0000 C 0 0 0 0 0 0 0 0 0 6.7500 -6.0167 0.0000 C 0 0 0 0 0 0 0 0 0 6.2167 -5.1125 0.0000 C 0 0 0 0 0 0 0 0 0 5.7042 -6.0167 0.0000 C 0 0 0 0 0 0 0 0 0 6.2292 -6.3167 0.0000 C 0 0 0 0 0 0 0 0 0 5.7042 -5.4125 0.0000 C 0 0 0 0 0 0 0 0 0 7.2625 -7.5250 0.0000 C 0 0 0 0 0 0 0 0 0 6.7500 -8.4292 0.0000 C 0 0 0 0 0 0 0 0 0 7.2667 -8.1292 0.0000 C 0 0 0 0 0 0 0 0 0 3.6125 -6.0167 0.0000 O 0 0 0 0 0 0 0 0 0 7.7917 -8.4292 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 9 1 0 0 0 4 2 1 0 0 0 5 4 1 0 0 0 6 1 1 0 0 0 7 1 2 0 0 0 8 1 2 0 0 0 9 18 1 0 0 0 10 3 1 0 0 0 11 2 1 0 0 0 12 3 2 0 0 0 13 5 2 0 0 0 14 5 1 0 0 0 15 6 2 0 0 0 16 6 1 0 0 0 17 20 1 0 0 0 18 21 2 0 0 0 19 11 1 0 0 0 20 19 2 0 0 0 21 19 1 0 0 0 22 16 2 0 0 0 23 15 1 0 0 0 24 22 1 0 0 0 25 14 1 0 0 0 26 24 1 0 0 0 23 24 2 0 0 0 17 9 2 0 0 0 M CHG 2 3 1 10 -1 M END > 7.34678748622466 > 7.52287874528034 $$$$ 11280715242D 1 1.00000 0.00000 0 31 33 0 0 0 999 V2000 4.8750 -1.7375 0.0000 S 0 0 3 0 0 0 0 0 0 4.8750 -2.3375 0.0000 N 0 0 3 0 0 0 0 0 0 4.3625 -2.6375 0.0000 C 0 0 3 0 0 0 0 0 0 4.8750 -3.5375 0.0000 N 0 0 3 0 0 0 0 0 0 3.8417 -2.3375 0.0000 C 0 0 0 0 0 0 0 0 0 4.3625 -3.2375 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -2.6375 0.0000 C 0 0 0 0 0 0 0 0 0 4.8750 -4.1292 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 4.3250 -1.3500 0.0000 O 0 0 0 0 0 0 0 0 0 5.5875 -2.1500 0.0000 O 0 0 0 0 0 0 0 0 0 5.3917 -3.2375 0.0000 C 0 0 0 0 0 0 0 0 0 3.8375 -1.7375 0.0000 O 0 0 0 0 0 0 0 0 0 5.3917 -4.4375 0.0000 C 0 0 0 0 0 0 0 0 0 4.3542 -4.4292 0.0000 O 0 0 0 0 0 0 0 0 0 3.3167 -2.6375 0.0000 N 0 0 0 0 0 0 0 0 0 5.9125 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 5.9167 -4.1292 0.0000 O 0 0 0 0 0 0 0 0 0 6.4292 -0.8292 0.0000 C 0 0 0 0 0 0 0 0 0 6.4292 -1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 5.9042 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 6.4292 -4.4375 0.0000 C 0 0 0 0 0 0 0 0 0 2.8000 -2.3375 0.0000 O 0 0 0 0 0 0 0 0 0 6.9500 -0.5292 0.0000 O 0 0 0 0 0 0 0 0 0 6.9500 -4.1292 0.0000 C 0 0 0 0 0 0 0 0 0 6.4292 -5.0375 0.0000 C 0 0 0 0 0 0 0 0 0 7.4667 -0.8292 0.0000 C 0 0 0 0 0 0 0 0 0 6.9417 -5.3375 0.0000 C 0 0 0 0 0 0 0 0 0 7.4667 -4.4375 0.0000 C 0 0 0 0 0 0 0 0 0 7.4667 -5.0375 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 12 1 0 0 0 5 3 1 0 0 0 6 3 1 0 0 0 7 2 1 0 0 0 8 4 1 0 0 0 9 1 1 0 0 0 10 1 2 0 0 0 11 1 2 0 0 0 12 7 1 0 0 0 13 5 2 0 0 0 14 8 1 0 0 0 15 8 2 0 0 0 16 5 1 0 0 0 17 9 2 0 0 0 18 9 1 0 0 0 19 14 1 0 0 0 20 22 1 0 0 0 21 17 1 0 0 0 22 18 2 0 0 0 23 19 1 0 0 0 24 16 1 0 0 0 25 20 1 0 0 0 26 23 1 0 0 0 27 23 2 0 0 0 28 25 1 0 0 0 29 27 1 0 0 0 30 26 2 0 0 0 31 29 2 0 0 0 20 21 2 0 0 0 4 6 1 0 0 0 31 30 1 0 0 0 M END > 8.67778070526608 > 7.03621217265444 $$$$ 11280714452D 1 1.00000 0.00000 0 28 29 0 0 0 999 V2000 3.7167 -4.1542 0.0000 S 0 0 3 0 0 0 0 0 0 3.7167 -4.9792 0.0000 N 0 0 0 0 0 0 0 0 0 3.0042 -5.3917 0.0000 C 0 0 3 0 0 0 0 0 0 2.2917 -4.9792 0.0000 C 0 0 0 0 0 0 0 0 0 4.4292 -3.7417 0.0000 C 0 0 0 0 0 0 0 0 0 3.7167 -6.6292 0.0000 C 0 0 0 0 0 0 0 0 0 4.4292 -7.0375 0.0000 C 0 0 0 0 0 0 0 0 0 3.5042 -3.3500 0.0000 O 0 0 0 0 0 0 0 0 0 2.9167 -4.3625 0.0000 O 0 0 0 0 0 0 0 0 0 5.8625 -2.9167 0.0000 C 0 0 0 0 0 0 0 0 0 6.5792 -2.5042 0.0000 C 0 0 0 0 0 0 0 0 0 2.2917 -4.1542 0.0000 O 0 0 0 0 0 0 0 0 0 4.4292 -2.9167 0.0000 C 0 0 0 0 0 0 0 0 0 5.1500 -4.1542 0.0000 C 0 0 0 0 0 0 0 0 0 5.8625 -3.7417 0.0000 C 0 0 0 0 0 0 0 0 0 5.1417 -2.5042 0.0000 C 0 0 0 0 0 0 0 0 0 7.2917 -2.9167 0.0000 C 0 0 0 0 0 0 0 0 0 6.5750 -1.6792 0.0000 C 0 0 0 0 0 0 0 0 0 3.0042 -6.2167 0.0000 C 0 0 0 0 0 0 0 0 0 1.5792 -5.3917 0.0000 O 0 0 0 0 0 0 0 0 0 8.0042 -1.6792 0.0000 C 0 0 0 0 0 0 0 0 0 7.2792 -1.2667 0.0000 C 0 0 0 0 0 0 0 0 0 8.0042 -2.5042 0.0000 C 0 0 0 0 0 0 0 0 0 5.1417 -7.4500 0.0000 C 0 0 0 0 0 0 0 0 0 8.7167 -1.2667 0.0000 O 0 0 0 0 0 0 0 0 0 5.8542 -7.0375 0.0000 O 0 0 0 0 0 0 0 0 0 9.4292 -1.6750 0.0000 C 0 0 0 0 0 0 0 0 0 6.5667 -7.4500 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 1 1 0 0 0 6 19 1 0 0 0 7 6 3 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 15 2 0 0 0 11 10 1 0 0 0 12 4 2 0 0 0 13 5 1 0 0 0 14 5 2 0 0 0 15 14 1 0 0 0 16 13 2 0 0 0 17 11 2 0 0 0 18 11 1 0 0 0 19 3 1 0 0 0 20 4 1 0 0 0 21 22 1 0 0 0 22 18 2 0 0 0 23 17 1 0 0 0 24 7 1 0 0 0 25 21 1 0 0 0 26 24 1 0 0 0 27 25 1 0 0 0 28 26 1 0 0 0 16 10 1 0 0 0 23 21 2 0 0 0 M END > 7.12 > 5.21112488422458 $$$$ 11280715232D 1 1.00000 0.00000 0 21 21 0 0 0 999 V2000 5.1125 -2.8792 0.0000 S 0 0 3 0 0 0 0 0 0 5.8292 -3.2667 0.0000 C 0 0 0 0 0 0 0 0 0 5.8292 -4.0667 0.0000 C 0 0 0 0 0 0 0 0 0 6.5042 -2.8417 0.0000 C 0 0 0 0 0 0 0 0 0 7.2167 -3.2250 0.0000 C 0 0 0 0 0 0 0 0 0 6.5417 -4.4625 0.0000 C 0 0 0 0 0 0 0 0 0 7.2417 -4.0417 0.0000 C 0 0 0 0 0 0 0 0 0 4.4167 -2.4792 0.0000 N 0 0 0 0 0 0 0 0 0 3.7125 -2.8792 0.0000 C 0 0 3 0 0 0 0 0 0 3.0167 -2.4792 0.0000 C 0 0 0 0 0 0 0 0 0 5.8125 -2.1417 0.0000 O 0 0 0 0 0 0 0 0 0 4.3792 -3.5875 0.0000 O 0 0 0 0 0 0 0 0 0 2.3167 -2.8792 0.0000 O 0 0 0 0 0 0 0 0 0 6.4917 -2.0375 0.0000 F 0 0 0 0 0 0 0 0 0 5.1417 -4.4875 0.0000 F 0 0 0 0 0 0 0 0 0 3.0167 -1.6667 0.0000 N 0 0 0 0 0 0 0 0 0 6.5667 -5.2667 0.0000 F 0 0 0 0 0 0 0 0 0 7.9042 -2.8042 0.0000 F 0 0 0 0 0 0 0 0 0 7.9500 -4.4292 0.0000 F 0 0 0 0 0 0 0 0 0 2.3167 -1.2667 0.0000 O 0 0 0 0 0 0 0 0 0 3.7125 -3.6875 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 2 0 0 0 4 2 1 0 0 0 5 4 2 0 0 0 6 3 1 0 0 0 7 5 1 0 0 0 8 1 1 0 0 0 9 8 1 0 0 0 10 9 1 0 0 0 11 1 2 0 0 0 12 1 2 0 0 0 13 10 2 0 0 0 14 4 1 0 0 0 15 3 1 0 0 0 16 10 1 0 0 0 17 6 1 0 0 0 18 5 1 0 0 0 19 7 1 0 0 0 20 16 1 0 0 0 21 9 1 0 0 0 6 7 2 0 0 0 M END > 7.34678748622466 > 7.34678748622466 $$$$ 11280715312D 1 1.00000 0.00000 0 33 35 0 1 0 999 V2000 0.0167 -2.0292 0.0000 N 0 0 3 0 0 0 0 0 0 0.0167 -1.4292 0.0000 S 0 0 3 0 0 0 0 0 0 0.6667 -3.4417 0.0000 N 0 0 3 0 0 0 0 0 0 1.2750 -3.4417 0.0000 C 0 0 0 0 0 0 0 0 0 -0.4708 -2.3792 0.0000 C 0 0 2 0 0 0 0 0 0 0.4875 -4.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0.3167 -2.9542 0.0000 C 0 0 2 0 0 0 0 0 0 1.4542 -4.0042 0.0000 N 0 0 3 0 0 0 0 0 0 0.5042 -2.3792 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2833 -2.9542 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0375 -2.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0.9750 -4.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0.5375 -1.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0.0125 -0.8292 0.0000 O 0 0 0 0 0 0 0 0 0 -0.5708 -1.2750 0.0000 O 0 0 0 0 0 0 0 0 0 1.6250 -2.9542 0.0000 O 0 0 0 0 0 0 0 0 0 0.0250 -4.2042 0.0000 O 0 0 0 0 0 0 0 0 0 -1.1625 -1.6125 0.0000 O 0 0 0 0 0 0 0 0 0 -1.4833 -2.6000 0.0000 N 0 0 0 0 0 0 0 0 0 0.5375 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 1.0542 -1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 2.0292 -4.1917 0.0000 C 0 0 0 0 0 0 0 0 0 1.5792 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 1.0542 -0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 1.5792 -1.1292 0.0000 C 0 0 0 0 0 0 0 0 0 -2.0583 -2.4167 0.0000 O 0 0 0 0 0 0 0 0 0 2.0917 -0.2292 0.0000 O 0 0 0 0 0 0 0 0 0 2.6167 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 2.1542 -4.7792 0.0000 C 0 0 0 0 0 0 0 0 0 3.1292 -0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 3.6500 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 2.7250 -4.9667 0.0000 C 0 0 0 0 0 0 0 0 0 4.1667 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 7 3 1 1 0 0 4 3 1 0 0 0 5 1 1 0 0 0 6 3 1 0 0 0 7 9 1 0 0 0 8 4 1 0 0 0 9 1 1 0 0 0 5 10 1 6 0 0 11 5 1 0 0 0 12 6 1 0 0 0 13 2 1 0 0 0 14 2 2 0 0 0 15 2 2 0 0 0 16 4 2 0 0 0 17 6 2 0 0 0 18 11 2 0 0 0 19 11 1 0 0 0 20 13 1 0 0 0 21 13 2 0 0 0 22 8 1 0 0 0 23 25 2 0 0 0 24 20 2 0 0 0 25 21 1 0 0 0 26 19 1 0 0 0 27 23 1 0 0 0 28 27 1 0 0 0 29 22 1 0 0 0 30 28 1 0 0 0 31 30 1 0 0 0 32 29 1 0 0 0 33 31 1 0 0 0 7 10 1 0 0 0 23 24 1 0 0 0 8 12 1 0 0 0 M END > 9.52287874528034 > 6.24412514432751 $$$$ 11280715162D 1 1.00000 0.00000 0 25 27 0 1 0 999 V2000 2.7667 1.3208 0.0000 S 0 0 3 0 0 0 0 0 0 2.0542 0.9125 0.0000 N 0 0 3 0 0 0 0 0 0 1.3500 1.3208 0.0000 C 0 0 1 0 0 0 0 0 0 0.6292 0.9083 0.0000 C 0 0 0 0 0 0 0 0 0 3.5625 1.5375 0.0000 O 0 0 0 0 0 0 0 0 0 2.9792 0.5250 0.0000 O 0 0 0 0 0 0 0 0 0 2.0542 0.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0.6292 0.0833 0.0000 O 0 0 0 0 0 0 0 0 0 4.2000 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 2.7667 2.1458 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0833 1.3208 0.0000 N 0 0 0 0 0 0 0 0 0 6.3417 -2.3875 0.0000 N 0 0 0 0 0 0 0 0 0 4.9125 -1.5625 0.0000 C 0 0 0 0 0 0 0 0 0 4.1917 -0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 3.4792 -1.5667 0.0000 C 0 0 0 0 0 0 0 0 0 2.7750 -0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 1.3500 2.1458 0.0000 C 0 0 0 0 0 0 0 0 0 3.4792 0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 2.7667 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0833 2.1458 0.0000 O 0 0 0 0 0 0 0 0 0 2.0542 2.5625 0.0000 C 0 0 0 0 0 0 0 0 0 5.6250 -2.8042 0.0000 C 0 0 0 0 0 0 0 0 0 6.3375 -1.5542 0.0000 C 0 0 0 0 0 0 0 0 0 4.9125 -2.3917 0.0000 C 0 0 0 0 0 0 0 0 0 5.6250 -1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 3 4 1 1 0 0 5 1 2 0 0 0 6 1 2 0 0 0 7 2 1 0 0 0 8 4 2 0 0 0 9 15 2 0 0 0 10 1 1 0 0 0 11 4 1 0 0 0 12 23 1 0 0 0 13 9 1 0 0 0 14 18 2 0 0 0 15 19 1 0 0 0 16 7 1 0 0 0 17 21 1 0 0 0 18 16 1 0 0 0 19 16 2 0 0 0 20 11 1 0 0 0 21 10 1 0 0 0 22 24 1 0 0 0 23 25 2 0 0 0 24 13 2 0 0 0 25 13 1 0 0 0 3 17 1 0 0 0 14 9 1 0 0 0 12 22 2 0 0 0 M END > 8.52287874528034 > 5.96457026181545 $$$$ 11280715162D 1 1.00000 0.00000 0 37 40 0 0 0 999 V2000 4.3917 1.8833 0.0000 S 0 0 3 0 0 0 0 0 0 2.2500 2.2875 0.0000 C 0 0 0 0 0 0 0 0 0 3.6792 2.2958 0.0000 N 0 0 3 0 0 0 0 0 0 2.9667 1.8750 0.0000 C 0 0 0 0 0 0 0 0 0 2.9667 1.0458 0.0000 C 0 0 0 0 0 0 0 0 0 2.2417 3.1125 0.0000 C 0 0 0 0 0 0 0 0 0 3.6875 -1.8375 0.0000 N 0 0 3 0 0 0 0 0 0 5.1042 1.4708 0.0000 C 0 0 0 0 0 0 0 0 0 3.6792 -0.1917 0.0000 N 0 0 3 0 0 0 0 0 0 5.1042 2.2958 0.0000 O 0 0 0 0 0 0 0 0 0 4.3917 1.0583 0.0000 O 0 0 0 0 0 0 0 0 0 1.5375 1.8750 0.0000 C 0 0 0 0 0 0 0 0 0 3.6792 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 2.2500 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 1.5375 1.0458 0.0000 C 0 0 0 0 0 0 0 0 0 2.9667 -1.4250 0.0000 C 0 0 0 0 0 0 0 0 0 4.4042 -1.4167 0.0000 C 0 0 0 0 0 0 0 0 0 3.6875 -2.6625 0.0000 C 0 0 0 0 0 0 0 0 0 2.9625 3.5250 0.0000 O 0 0 0 0 0 0 0 0 0 1.5292 3.5208 0.0000 N 0 0 0 0 0 0 0 0 0 5.1042 0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 5.8125 1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 4.3917 -0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 2.9667 -0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 3.6750 3.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0.8167 0.6375 0.0000 Br 0 0 0 0 0 0 0 0 0 6.5292 0.6583 0.0000 C 0 0 0 0 0 0 0 0 0 5.8167 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 6.5250 1.4833 0.0000 C 0 0 0 0 0 0 0 0 0 1.5292 4.3417 0.0000 O 0 0 0 0 0 0 0 0 0 7.2375 0.2458 0.0000 O 0 0 0 0 0 0 0 0 0 4.4042 -3.0667 0.0000 C 0 0 0 0 0 0 0 0 0 2.9750 -3.0750 0.0000 C 0 0 0 0 0 0 0 0 0 7.9500 0.6625 0.0000 C 0 0 0 0 0 0 0 0 0 2.9792 -3.9000 0.0000 C 0 0 0 0 0 0 0 0 0 4.4042 -3.8917 0.0000 C 0 0 0 0 0 0 0 0 0 3.6917 -4.3125 0.0000 C 0 0 0 0 0 0 0 0 0 2 4 2 0 0 0 3 1 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 6 2 1 0 0 0 7 16 1 0 0 0 8 1 1 0 0 0 9 13 1 0 0 0 10 1 2 0 0 0 11 1 2 0 0 0 12 2 1 0 0 0 13 5 1 0 0 0 14 5 2 0 0 0 15 14 1 0 0 0 16 24 1 0 0 0 17 23 1 0 0 0 18 7 1 0 0 0 19 6 2 0 0 0 20 6 1 0 0 0 21 8 2 0 0 0 22 8 1 0 0 0 23 9 1 0 0 0 24 9 1 0 0 0 25 3 1 0 0 0 26 15 1 0 0 0 27 29 1 0 0 0 28 21 1 0 0 0 29 22 2 0 0 0 30 20 1 0 0 0 31 27 1 0 0 0 32 18 1 0 0 0 33 18 2 0 0 0 34 31 1 0 0 0 35 33 1 0 0 0 36 32 2 0 0 0 37 35 2 0 0 0 27 28 2 0 0 0 15 12 2 0 0 0 7 17 1 0 0 0 37 36 1 0 0 0 M END > 8.52287874528034 > 6.35261702988538 $$$$ 11280714592D 1 1.00000 0.00000 0 27 28 0 0 0 999 V2000 7.2667 -4.7625 0.0000 N 0 3 0 0 0 0 0 0 0 5.7042 -6.8792 0.0000 C 0 0 0 0 0 0 0 0 0 5.1792 -6.5750 0.0000 N 0 0 3 0 0 0 0 0 0 5.7042 -7.4792 0.0000 N 0 0 0 0 0 0 0 0 0 4.1292 -6.5750 0.0000 C 0 0 0 0 0 0 0 0 0 6.7500 -5.0667 0.0000 C 0 0 0 0 0 0 0 0 0 7.2625 -7.7792 0.0000 C 0 0 0 0 0 0 0 0 0 6.7417 -7.4792 0.0000 C 0 0 0 0 0 0 0 0 0 4.6542 -6.8792 0.0000 C 0 0 0 0 0 0 0 0 0 7.7917 -5.0667 0.0000 O 0 5 0 0 0 0 0 0 0 6.2292 -7.7792 0.0000 C 0 0 0 0 0 0 0 0 0 7.2667 -4.1542 0.0000 O 0 0 0 0 0 0 0 0 0 6.2292 -6.5750 0.0000 O 0 0 0 0 0 0 0 0 0 5.1792 -5.9667 0.0000 C 0 0 0 0 0 0 0 0 0 7.2667 -8.3875 0.0000 C 0 0 0 0 0 0 0 0 0 3.6125 -6.8792 0.0000 O 0 0 0 0 0 0 0 0 0 4.1292 -5.9667 0.0000 N 0 0 0 0 0 0 0 0 0 6.7500 -5.6667 0.0000 C 0 0 0 0 0 0 0 0 0 6.2167 -4.7625 0.0000 C 0 0 0 0 0 0 0 0 0 6.7500 -8.6917 0.0000 C 0 0 0 0 0 0 0 0 0 5.7042 -5.6667 0.0000 C 0 0 0 0 0 0 0 0 0 7.7917 -7.4792 0.0000 Cl 0 0 0 0 0 0 0 0 0 6.2167 -8.3875 0.0000 C 0 0 0 0 0 0 0 0 0 7.7917 -8.6917 0.0000 Cl 0 0 0 0 0 0 0 0 0 6.2292 -5.9667 0.0000 C 0 0 0 0 0 0 0 0 0 5.7042 -5.0667 0.0000 C 0 0 0 0 0 0 0 0 0 3.6125 -5.6667 0.0000 O 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 3 14 1 0 0 0 4 2 1 0 0 0 5 9 1 0 0 0 6 1 1 0 0 0 7 8 2 0 0 0 8 11 1 0 0 0 9 3 1 0 0 0 10 1 1 0 0 0 11 4 1 0 0 0 12 1 2 0 0 0 13 2 2 0 0 0 14 21 1 0 0 0 15 20 2 0 0 0 16 5 2 0 0 0 17 5 1 0 0 0 18 6 2 0 0 0 19 6 1 0 0 0 20 23 1 0 0 0 21 26 1 0 0 0 22 7 1 0 0 0 23 11 2 0 0 0 24 15 1 0 0 0 25 18 1 0 0 0 26 19 2 0 0 0 27 17 1 0 0 0 21 25 2 0 0 0 7 15 1 0 0 0 M CHG 2 1 1 10 -1 M END > 7.95860731484177 > 7.95860731484177 $$$$ 11280715082D 1 1.00000 0.00000 0 22 23 0 0 0 999 V2000 6.0417 -15.9542 0.0000 C 0 0 3 0 0 0 0 0 0 5.3292 -16.3667 0.0000 S 0 0 3 0 0 0 0 0 0 6.7625 -16.3542 0.0000 C 0 0 0 0 0 0 0 0 0 5.3292 -15.5417 0.0000 C 0 0 0 0 0 0 0 0 0 6.7542 -15.5417 0.0000 C 0 0 0 0 0 0 0 0 0 4.6125 -15.9542 0.0000 C 0 0 0 0 0 0 0 0 0 5.9125 -16.9542 0.0000 O 0 0 0 0 0 0 0 0 0 4.7417 -16.9542 0.0000 O 0 0 0 0 0 0 0 0 0 6.0417 -14.3042 0.0000 N 0 0 3 0 0 0 0 0 0 6.7750 -17.1792 0.0000 O 0 0 0 0 0 0 0 0 0 7.4667 -15.9292 0.0000 N 0 0 0 0 0 0 0 0 0 5.3292 -14.7167 0.0000 C 0 0 0 0 0 0 0 0 0 6.7542 -14.7167 0.0000 C 0 0 0 0 0 0 0 0 0 3.8917 -16.3667 0.0000 C 0 0 0 0 0 0 0 0 0 4.6125 -15.1292 0.0000 C 0 0 0 0 0 0 0 0 0 3.1792 -15.1292 0.0000 C 0 0 0 0 0 0 0 0 0 3.1792 -15.9542 0.0000 C 0 0 0 0 0 0 0 0 0 3.8917 -14.7167 0.0000 C 0 0 0 0 0 0 0 0 0 8.1917 -16.3292 0.0000 O 0 0 0 0 0 0 0 0 0 2.4667 -14.7167 0.0000 O 0 0 0 0 0 0 0 0 0 6.0417 -13.4792 0.0000 C 0 0 0 0 0 0 0 0 0 1.7542 -15.1292 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 1 1 0 0 0 5 1 1 0 0 0 6 2 1 0 0 0 7 2 2 0 0 0 8 2 2 0 0 0 9 13 1 0 0 0 10 3 2 0 0 0 11 3 1 0 0 0 12 4 1 0 0 0 13 5 1 0 0 0 14 6 2 0 0 0 15 6 1 0 0 0 16 18 1 0 0 0 17 14 1 0 0 0 18 15 2 0 0 0 19 11 1 0 0 0 20 16 1 0 0 0 21 9 1 0 0 0 22 20 1 0 0 0 12 9 1 0 0 0 16 17 2 0 0 0 M END > 7.35654732351381 > 5.29157909986529 $$$$ 11280715122D 1 1.00000 0.00000 0 30 32 0 0 0 999 V2000 5.2292 -0.7667 0.0000 S 0 0 3 0 0 0 0 0 0 5.4125 -1.5792 0.0000 N 0 0 3 0 0 0 0 0 0 4.7667 -2.0875 0.0000 C 0 0 3 0 0 0 0 0 0 5.4125 -3.4292 0.0000 N 0 0 3 0 0 0 0 0 0 4.7667 -2.9167 0.0000 C 0 0 0 0 0 0 0 0 0 5.2292 -4.2292 0.0000 C 0 0 0 0 0 0 0 0 0 4.0250 -1.7250 0.0000 C 0 0 0 0 0 0 0 0 0 5.8375 -0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 6.0292 -0.9792 0.0000 O 0 0 0 0 0 0 0 0 0 4.4292 -0.5542 0.0000 O 0 0 0 0 0 0 0 0 0 5.8375 -4.7917 0.0000 O 0 0 0 0 0 0 0 0 0 3.9667 -0.9042 0.0000 O 0 0 0 0 0 0 0 0 0 4.4417 -4.4750 0.0000 C 0 0 0 0 0 0 0 0 0 3.3417 -2.1875 0.0000 N 0 0 0 0 0 0 0 0 0 6.2167 -1.7625 0.0000 C 0 0 0 0 0 0 0 0 0 6.6250 -0.4542 0.0000 C 0 0 0 0 0 0 0 0 0 5.6542 0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 6.2167 -3.2417 0.0000 C 0 0 0 0 0 0 0 0 0 6.5667 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 7.0500 0.9083 0.0000 C 0 0 0 0 0 0 0 0 0 6.2542 1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 7.2292 0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 2.6000 -1.8292 0.0000 O 0 0 0 0 0 0 0 0 0 7.6542 1.4625 0.0000 O 0 0 0 0 0 0 0 0 0 4.2667 -5.2792 0.0000 C 0 0 0 0 0 0 0 0 0 3.8417 -3.9125 0.0000 C 0 0 0 0 0 0 0 0 0 8.4417 1.2208 0.0000 C 0 0 0 0 0 0 0 0 0 3.0542 -4.1542 0.0000 C 0 0 0 0 0 0 0 0 0 3.4792 -5.5250 0.0000 C 0 0 0 0 0 0 0 0 0 2.8667 -4.9625 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 5 1 0 0 0 5 3 1 0 0 0 6 4 1 0 0 0 7 3 1 0 0 0 8 1 1 0 0 0 9 1 2 0 0 0 10 1 2 0 0 0 11 6 2 0 0 0 12 7 2 0 0 0 13 6 1 0 0 0 14 7 1 0 0 0 15 2 1 0 0 0 16 8 2 0 0 0 17 8 1 0 0 0 18 19 1 0 0 0 19 15 1 0 0 0 20 21 1 0 0 0 21 17 2 0 0 0 22 16 1 0 0 0 23 14 1 0 0 0 24 20 1 0 0 0 25 13 1 0 0 0 26 13 2 0 0 0 27 24 1 0 0 0 28 26 1 0 0 0 29 25 2 0 0 0 30 28 2 0 0 0 20 22 2 0 0 0 4 18 1 0 0 0 30 29 1 0 0 0 M END > 8.65757731917779 > 7.34678748622466 $$$$ 11280715312D 1 1.00000 0.00000 0 33 36 0 1 0 999 V2000 2.0417 -1.3250 0.0000 N 0 0 3 0 0 0 0 0 0 2.0417 -0.7250 0.0000 S 0 0 3 0 0 0 0 0 0 2.7000 -2.7292 0.0000 N 0 0 3 0 0 0 0 0 0 3.3042 -2.7292 0.0000 C 0 0 0 0 0 0 0 0 0 1.5625 -1.6750 0.0000 C 0 0 2 0 0 0 0 0 0 2.5167 -3.3042 0.0000 C 0 0 0 0 0 0 0 0 0 2.3417 -2.2500 0.0000 C 0 0 2 0 0 0 0 0 0 3.4875 -3.3042 0.0000 N 0 0 3 0 0 0 0 0 0 2.5292 -1.6750 0.0000 C 0 0 0 0 0 0 0 0 0 1.7417 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0.9917 -1.4917 0.0000 C 0 0 0 0 0 0 0 0 0 3.0042 -3.6542 0.0000 C 0 0 0 0 0 0 0 0 0 2.5667 -0.4250 0.0000 C 0 0 0 0 0 0 0 0 0 2.0375 -0.1250 0.0000 O 0 0 0 0 0 0 0 0 0 1.4625 -0.5667 0.0000 O 0 0 0 0 0 0 0 0 0 3.6542 -2.2417 0.0000 O 0 0 0 0 0 0 0 0 0 2.0542 -3.4917 0.0000 O 0 0 0 0 0 0 0 0 0 0.8667 -0.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0.5417 -1.8917 0.0000 N 0 0 0 0 0 0 0 0 0 5.6792 -0.4167 0.0000 N 0 0 0 0 0 0 0 0 0 3.0875 -0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 2.5667 0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 4.1250 0.4750 0.0000 O 0 0 0 0 0 0 0 0 0 4.6417 0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 3.6042 0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 4.0542 -3.4875 0.0000 C 0 0 0 0 0 0 0 0 0 3.0792 0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 3.6042 -0.4250 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0250 -1.7042 0.0000 O 0 0 0 0 0 0 0 0 0 4.6417 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 5.1542 0.4833 0.0000 C 0 0 0 0 0 0 0 0 0 5.6792 0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 5.1625 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 7 3 1 1 0 0 4 3 1 0 0 0 5 1 1 0 0 0 6 3 1 0 0 0 7 9 1 0 0 0 8 4 1 0 0 0 9 1 1 0 0 0 5 10 1 6 0 0 11 5 1 0 0 0 12 6 1 0 0 0 13 2 1 0 0 0 14 2 2 0 0 0 15 2 2 0 0 0 16 4 2 0 0 0 17 6 2 0 0 0 18 11 2 0 0 0 19 11 1 0 0 0 20 32 1 0 0 0 21 13 2 0 0 0 22 13 1 0 0 0 23 25 1 0 0 0 24 23 1 0 0 0 25 27 1 0 0 0 26 8 1 0 0 0 27 22 2 0 0 0 28 21 1 0 0 0 29 19 1 0 0 0 30 24 2 0 0 0 31 24 1 0 0 0 32 31 2 0 0 0 33 30 1 0 0 0 7 10 1 0 0 0 25 28 2 0 0 0 8 12 1 0 0 0 20 33 2 0 0 0 M END > 9.15490195998574 > 6.22184874961636 $$$$ 11280715172D 1 1.00000 0.00000 0 40 42 0 0 0 999 V2000 0.4792 -2.2667 0.0000 S 0 0 3 0 0 0 0 0 0 -0.1208 -2.2667 0.0000 N 0 0 3 0 0 0 0 0 0 -0.4208 -2.7792 0.0000 C 0 0 3 0 0 0 0 0 0 -0.1208 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5458 -1.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0.4792 -1.6667 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1458 -1.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0.4792 -2.8667 0.0000 O 0 0 0 0 0 0 0 0 0 1.0792 -2.2750 0.0000 O 0 0 0 0 0 0 0 0 0 -1.4458 -1.3167 0.0000 N 0 0 0 0 0 0 0 0 0 0.4542 -3.4542 0.0000 O 0 0 0 0 0 0 0 0 0 -0.2833 -3.8792 0.0000 N 0 0 0 0 0 0 0 0 0 -1.4458 -2.3542 0.0000 O 0 0 0 0 0 0 0 0 0 -1.0083 -2.9375 0.0000 C 0 0 0 0 0 0 0 0 0 1.0042 -1.3667 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0333 -1.3667 0.0000 C 0 0 0 0 0 0 0 0 0 -1.4458 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 -1.9708 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0.4792 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 -3.0083 0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 1.0042 -0.7667 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0333 -0.7667 0.0000 C 0 0 0 0 0 0 0 0 0 -1.8958 -3.6042 0.0000 S 0 0 0 0 0 0 0 0 0 -0.2833 -4.4792 0.0000 O 0 0 0 0 0 0 0 0 0 -1.9708 0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4833 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 -3.0083 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4958 0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0.4792 0.1333 0.0000 O 0 0 0 0 0 0 0 0 0 -3.5333 0.4875 0.0000 O 0 0 0 0 0 0 0 0 0 -2.6333 -4.3417 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3083 -3.4542 0.0000 C 0 0 0 0 0 0 0 0 0 -2.0458 -4.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0.9917 0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 -4.0583 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 -3.0583 -3.9042 0.0000 C 0 0 0 0 0 0 0 0 0 -2.7958 -4.9167 0.0000 C 0 0 0 0 0 0 0 0 0 -3.3708 -5.0750 0.0000 C 0 0 0 0 0 0 0 0 0 -3.6458 -4.0625 0.0000 C 0 0 0 0 0 0 0 0 0 -3.7958 -4.6417 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 2 1 0 0 0 6 1 1 0 0 0 7 5 1 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 7 1 0 0 0 11 4 2 0 0 0 12 4 1 0 0 0 13 7 2 0 0 0 14 3 1 0 0 0 15 6 2 0 0 0 16 6 1 0 0 0 17 10 1 0 0 0 18 17 1 0 0 0 19 22 1 0 0 0 20 27 2 0 0 0 21 15 1 0 0 0 22 16 2 0 0 0 23 32 1 0 0 0 24 12 1 0 0 0 25 18 1 0 0 0 26 18 2 0 0 0 27 26 1 0 0 0 28 25 2 0 0 0 29 19 1 0 0 0 30 20 1 0 0 0 31 33 1 0 0 0 32 14 1 0 0 0 33 23 1 0 0 0 34 29 1 0 0 0 35 30 1 0 0 0 36 31 2 0 0 0 37 31 1 0 0 0 38 37 2 0 0 0 39 36 1 0 0 0 40 38 1 0 0 0 19 21 2 0 0 0 20 28 1 0 0 0 40 39 2 0 0 0 M END > 9.15490195998574 > 7.72124639904717 $$$$ 11280715142D 1 1.00000 0.00000 0 34 36 0 1 0 999 V2000 2.2917 -4.2542 0.0000 S 0 0 3 0 0 0 0 0 0 2.6750 -2.0542 0.0000 C 0 0 2 0 0 0 0 0 0 3.3875 -1.6417 0.0000 C 0 0 2 0 0 0 0 0 0 4.1000 -2.0542 0.0000 C 0 0 0 0 0 0 0 0 0 2.0875 -3.4667 0.0000 N 0 0 3 0 0 0 0 0 0 2.6750 -2.8792 0.0000 C 0 0 0 0 0 0 0 0 0 4.8167 -1.6417 0.0000 N 0 0 3 0 0 0 0 0 0 1.9542 -1.6417 0.0000 C 0 0 0 0 0 0 0 0 0 2.5042 -5.0542 0.0000 C 0 0 0 0 0 0 0 0 0 3.0917 -4.0417 0.0000 O 0 0 0 0 0 0 0 0 0 1.4917 -4.4750 0.0000 O 0 0 0 0 0 0 0 0 0 3.3875 -0.8167 0.0000 C 0 0 0 0 0 0 0 0 0 4.1000 -2.8792 0.0000 O 0 0 0 0 0 0 0 0 0 1.9542 -0.8167 0.0000 O 0 0 0 0 0 0 0 0 0 1.2417 -2.0542 0.0000 N 0 0 0 0 0 0 0 0 0 1.9292 -5.6417 0.0000 C 0 0 0 0 0 0 0 0 0 3.3042 -5.2625 0.0000 C 0 0 0 0 0 0 0 0 0 6.2417 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 2.9417 -6.6417 0.0000 C 0 0 0 0 0 0 0 0 0 3.5250 -6.0542 0.0000 C 0 0 0 0 0 0 0 0 0 2.1417 -6.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0.5292 -1.6417 0.0000 O 0 0 0 0 0 0 0 0 0 5.5250 -2.0542 0.0000 C 0 0 0 0 0 0 0 0 0 4.8042 -0.8167 0.0000 C 0 0 0 0 0 0 0 0 0 1.2625 -3.4625 0.0000 C 0 0 0 0 0 0 0 0 0 3.9667 -0.2292 0.0000 C 0 0 3 0 0 0 0 0 0 3.1625 -7.4417 0.0000 O 0 0 0 0 0 0 0 0 0 6.2375 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 5.5292 -0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 2.5792 -8.0292 0.0000 C 0 0 0 0 0 0 0 0 0 3.8292 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 4.7875 -0.3542 0.0000 C 0 0 0 0 0 0 0 0 0 5.1542 0.3833 0.0000 C 0 0 0 0 0 0 0 0 0 4.5667 0.9625 0.0000 C 0 0 0 0 0 0 0 0 0 2 6 1 6 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 1 1 0 0 0 6 5 1 0 0 0 7 4 1 0 0 0 8 2 1 0 0 0 9 1 1 0 0 0 10 1 2 0 0 0 11 1 2 0 0 0 3 12 1 1 0 0 13 4 2 0 0 0 14 8 2 0 0 0 15 8 1 0 0 0 16 9 2 0 0 0 17 9 1 0 0 0 18 29 1 0 0 0 19 20 1 0 0 0 20 17 2 0 0 0 21 16 1 0 0 0 22 15 1 0 0 0 23 7 1 0 0 0 24 7 1 0 0 0 25 5 1 0 0 0 26 12 1 0 0 0 27 19 1 0 0 0 28 23 1 0 0 0 29 24 1 0 0 0 30 27 1 0 0 0 31 26 1 0 0 0 32 26 1 0 0 0 33 32 1 0 0 0 34 31 1 0 0 0 21 19 2 0 0 0 33 34 1 0 0 0 28 18 1 0 0 0 M END > 7.69897000433602 > 8 $$$$ 11280715212D 1 1.00000 0.00000 0 27 29 0 1 0 999 V2000 -1.4625 2.1125 0.0000 S 0 0 3 0 0 0 0 0 0 -2.9083 2.1250 0.0000 C 0 0 2 0 0 0 0 0 0 -2.1875 2.5458 0.0000 N 0 0 0 0 0 0 0 0 0 -3.6250 2.5458 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7375 1.6875 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0333 2.8458 0.0000 O 0 0 0 0 0 0 0 0 0 -1.7458 1.3875 0.0000 O 0 0 0 0 0 0 0 0 0 -3.6250 3.3833 0.0000 O 0 0 0 0 0 0 0 0 0 -4.3458 2.1250 0.0000 N 0 0 0 0 0 0 0 0 0 -2.1833 1.7083 0.0000 C 0 0 0 0 0 0 0 0 0 -3.6333 0.8750 0.0000 O 0 0 0 0 0 0 0 0 0 1.4167 0.4375 0.0000 O 0 0 0 0 0 0 0 0 0 -0.7375 0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0208 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 -3.6333 1.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0.7000 0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 1.4167 -0.3917 0.0000 C 0 0 0 0 0 0 0 0 0 1.4167 -2.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0.7000 1.6875 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0208 0.4333 0.0000 C 0 0 0 0 0 0 0 0 0 1.4167 -2.8792 0.0000 Cl 0 0 0 0 0 0 0 0 0 -4.3458 1.2958 0.0000 O 0 0 0 0 0 0 0 0 0 2.1292 -0.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0.6917 -0.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0.6917 -1.6375 0.0000 C 0 0 0 0 0 0 0 0 0 2.1417 -1.6292 0.0000 C 0 0 0 0 0 0 0 0 0 -2.1875 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 2 3 1 6 0 0 3 1 1 0 0 0 4 2 1 0 0 0 5 1 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 4 2 0 0 0 9 4 1 0 0 0 10 2 1 0 0 0 11 15 1 0 0 0 12 16 1 0 0 0 13 5 2 0 0 0 14 5 1 0 0 0 15 2 1 0 0 0 16 19 1 0 0 0 17 12 1 0 0 0 18 25 2 0 0 0 19 14 2 0 0 0 20 13 1 0 0 0 21 18 1 0 0 0 22 9 1 0 0 0 23 17 1 0 0 0 24 17 2 0 0 0 25 24 1 0 0 0 26 23 2 0 0 0 27 10 1 0 0 0 16 20 2 0 0 0 27 11 1 0 0 0 18 26 1 0 0 0 M END > 9.43179827593301 > 6.58502665202918 $$$$ 11280715462D 1 1.00000 0.00000 0 31 33 0 1 0 999 V2000 3.2417 -1.1667 0.0000 S 0 0 3 0 0 0 0 0 0 3.2417 -1.9917 0.0000 N 0 0 3 0 0 0 0 0 0 2.5250 -2.4042 0.0000 C 0 0 2 0 0 0 0 0 0 2.5167 -3.2292 0.0000 C 0 0 3 0 0 0 0 0 0 1.8042 -1.9917 0.0000 C 0 0 0 0 0 0 0 0 0 3.9625 -2.4042 0.0000 C 0 0 0 0 0 0 0 0 0 3.2417 -0.3417 0.0000 C 0 0 0 0 0 0 0 0 0 4.0667 -1.1625 0.0000 O 0 0 0 0 0 0 0 0 0 2.4167 -1.1625 0.0000 O 0 0 0 0 0 0 0 0 0 3.2375 -3.6500 0.0000 C 0 0 0 0 0 0 0 0 0 1.8125 -1.1667 0.0000 O 0 0 0 0 0 0 0 0 0 3.9542 -3.2375 0.0000 C 0 0 1 0 0 0 0 0 0 1.0917 -2.4042 0.0000 N 0 0 0 0 0 0 0 0 0 2.5375 0.0750 0.0000 C 0 0 0 0 0 0 0 0 0 3.9625 0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 3.2667 2.1458 0.0000 O 0 0 0 0 0 0 0 0 0 3.2625 1.3125 0.0000 C 0 0 0 0 0 0 0 0 0 5.4125 2.5333 0.0000 C 0 0 0 0 0 0 0 0 0 2.5167 -4.0542 0.0000 C 0 0 0 0 0 0 0 0 0 1.6917 -3.2292 0.0000 C 0 0 0 0 0 0 0 0 0 3.9875 2.5458 0.0000 C 0 0 0 0 0 0 0 0 0 4.6917 2.1250 0.0000 C 0 0 0 0 0 0 0 0 0 3.9667 0.8958 0.0000 C 0 0 0 0 0 0 0 0 0 2.5417 0.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0.3792 -1.9917 0.0000 O 0 0 0 0 0 0 0 0 0 4.6667 -3.6542 0.0000 O 0 0 0 0 0 0 0 0 0 6.1167 2.1208 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 0.8833 0.0000 C 0 0 0 0 0 0 0 0 0 4.6875 1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 6.1167 1.2875 0.0000 C 0 0 0 0 0 0 0 0 0 6.8375 2.5250 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 3 5 1 6 0 0 6 2 1 0 0 0 7 1 1 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 12 1 0 0 0 11 5 2 0 0 0 12 6 1 0 0 0 13 5 1 0 0 0 14 7 2 0 0 0 15 7 1 0 0 0 16 17 1 0 0 0 17 23 1 0 0 0 18 22 1 0 0 0 19 4 1 0 0 0 20 4 1 0 0 0 21 16 1 0 0 0 22 21 1 0 0 0 23 15 2 0 0 0 24 14 1 0 0 0 25 13 1 0 0 0 12 26 1 6 0 0 27 18 2 0 0 0 28 29 1 0 0 0 29 22 2 0 0 0 30 28 2 0 0 0 31 27 1 0 0 0 24 17 2 0 0 0 10 4 1 0 0 0 30 27 1 0 0 0 M END > 8.55284196865778 > 6.11182050608168 $$$$ 11280715312D 1 1.00000 0.00000 0 29 31 0 1 0 999 V2000 2.4250 -1.6000 0.0000 S 0 0 3 0 0 0 0 0 0 2.4250 -2.2000 0.0000 N 0 0 3 0 0 0 0 0 0 1.9417 -2.5500 0.0000 C 0 0 1 0 0 0 0 0 0 1.3667 -2.3667 0.0000 C 0 0 0 0 0 0 0 0 0 2.9125 -2.5500 0.0000 C 0 0 0 0 0 0 0 0 0 2.9417 -1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 2.1250 -3.1250 0.0000 C 0 0 0 0 0 0 0 0 0 2.4167 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 1.8417 -1.4417 0.0000 O 0 0 0 0 0 0 0 0 0 2.7250 -3.1250 0.0000 C 0 0 2 0 0 0 0 0 0 1.2417 -1.7792 0.0000 O 0 0 0 0 0 0 0 0 0 0.9250 -2.7667 0.0000 N 0 0 0 0 0 0 0 0 0 3.4667 -1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 2.9417 -0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 3.0792 -3.6042 0.0000 N 0 0 0 0 0 0 0 0 0 3.9875 -0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 3.9875 -1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 3.4625 -0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0.3542 -2.5792 0.0000 O 0 0 0 0 0 0 0 0 0 3.6750 -3.5417 0.0000 C 0 0 0 0 0 0 0 0 0 4.5042 -0.4000 0.0000 O 0 0 0 0 0 0 0 0 0 4.6250 -3.9667 0.0000 C 0 0 0 0 0 0 0 0 0 4.0292 -4.0292 0.0000 C 0 0 0 0 0 0 0 0 0 5.0250 -0.6917 0.0000 C 0 0 0 0 0 0 0 0 0 4.9750 -4.4542 0.0000 C 0 0 0 0 0 0 0 0 0 4.8667 -3.4167 0.0000 C 0 0 0 0 0 0 0 0 0 5.4625 -3.3542 0.0000 C 0 0 0 0 0 0 0 0 0 5.5667 -4.3917 0.0000 C 0 0 0 0 0 0 0 0 0 5.8167 -3.8417 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 2 1 0 0 0 6 1 1 0 0 0 3 7 1 6 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 5 1 0 0 0 11 4 2 0 0 0 12 4 1 0 0 0 13 6 2 0 0 0 14 6 1 0 0 0 10 15 1 1 0 0 16 18 1 0 0 0 17 13 1 0 0 0 18 14 2 0 0 0 19 12 1 0 0 0 20 15 1 0 0 0 21 16 1 0 0 0 22 23 1 0 0 0 23 20 1 0 0 0 24 21 1 0 0 0 25 22 2 0 0 0 26 22 1 0 0 0 27 26 2 0 0 0 28 25 1 0 0 0 29 27 1 0 0 0 16 17 2 0 0 0 10 7 1 0 0 0 29 28 2 0 0 0 M END > 9 > 6.2518119729938 $$$$ 11280716012D 1 1.00000 0.00000 0 78 82 0 1 0 999 V2000 9.5625 -6.2917 0.0000 S 0 0 3 0 0 0 0 0 0 -1.3083 1.2000 0.0000 S 0 0 3 0 0 0 0 0 0 9.5500 -5.4667 0.0000 N 0 0 3 0 0 0 0 0 0 -1.2833 0.3750 0.0000 N 0 0 3 0 0 0 0 0 0 8.8292 -5.0625 0.0000 C 0 0 1 0 0 0 0 0 0 -1.9875 -0.0625 0.0000 C 0 0 1 0 0 0 0 0 0 8.1167 -5.4750 0.0000 C 0 0 0 0 0 0 0 0 0 -2.7083 0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 9.5667 -7.1167 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3250 2.0333 0.0000 C 0 0 0 0 0 0 0 0 0 1.6417 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 4.4875 -1.8917 0.0000 C 0 0 0 0 0 0 0 0 0 10.2542 -5.0500 0.0000 O 0 0 0 0 0 0 0 0 0 -0.5583 -0.0167 0.0000 O 0 0 0 0 0 0 0 0 0 10.3792 -6.2875 0.0000 O 0 0 0 0 0 0 0 0 0 -2.1375 1.1833 0.0000 O 0 0 0 0 0 0 0 0 0 -0.4708 1.2250 0.0000 O 0 0 0 0 0 0 0 0 0 8.7375 -6.3000 0.0000 O 0 0 0 0 0 0 0 0 0 3.7917 -2.3292 0.0000 C 0 0 0 0 0 0 0 0 0 2.3667 -2.3875 0.0000 C 0 0 0 0 0 0 0 0 0 3.0625 -1.9500 0.0000 C 0 0 0 0 0 0 0 0 0 -1.9125 -2.5375 0.0000 C 0 0 0 0 0 0 0 0 0 8.0792 -2.1667 0.0000 C 0 0 0 0 0 0 0 0 0 8.1167 -6.3042 0.0000 O 0 0 0 0 0 0 0 0 0 -2.7333 1.1583 0.0000 O 0 0 0 0 0 0 0 0 0 -1.3708 3.6875 0.0000 C 0 0 0 0 0 0 0 0 0 9.5667 -8.7750 0.0000 C 0 0 0 0 0 0 0 0 0 1.6125 -1.1792 0.0000 O 0 0 0 0 0 0 0 0 0 4.4542 -1.0667 0.0000 O 0 0 0 0 0 0 0 0 0 7.4042 -5.0625 0.0000 N 0 0 0 0 0 0 0 0 0 -3.4208 -0.0917 0.0000 N 0 0 0 0 0 0 0 0 0 8.8250 -4.2292 0.0000 C 0 0 0 0 0 0 0 0 0 -1.9708 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 -1.8833 -3.3625 0.0000 O 0 0 0 0 0 0 0 0 0 8.7750 -1.7292 0.0000 O 0 0 0 0 0 0 0 0 0 -2.0500 2.4333 0.0000 C 0 0 0 0 0 0 0 0 0 10.2875 -7.5292 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6208 2.4708 0.0000 C 0 0 0 0 0 0 0 0 0 8.8542 -7.5292 0.0000 C 0 0 0 0 0 0 0 0 0 -2.0750 3.2583 0.0000 C 0 0 0 0 0 0 0 0 0 8.8542 -8.3625 0.0000 C 0 0 0 0 0 0 0 0 0 10.2792 -8.3625 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6375 3.2958 0.0000 C 0 0 0 0 0 0 0 0 0 5.2167 -2.2792 0.0000 N 0 0 0 0 0 0 0 0 0 0.9417 -2.4375 0.0000 N 0 0 0 0 0 0 0 0 0 -1.3875 4.5125 0.0000 C 0 0 0 0 0 0 0 0 0 9.5667 -9.6042 0.0000 C 0 0 0 0 0 0 0 0 0 -2.6458 -2.1500 0.0000 N 0 0 0 0 0 0 0 0 0 8.1042 -2.9917 0.0000 N 0 0 0 0 0 0 0 0 0 8.1125 -3.8167 0.0000 C 0 0 0 0 0 0 0 0 0 -2.6708 -1.3167 0.0000 C 0 0 0 0 0 0 0 0 0 6.6917 -5.4750 0.0000 O 0 0 0 0 0 0 0 0 0 -4.1458 0.2958 0.0000 O 0 0 0 0 0 0 0 0 0 -0.5208 -0.6667 0.0000 C 0 0 3 0 0 0 0 0 0 10.9792 -5.4542 0.0000 C 0 0 3 0 0 0 0 0 0 3.8167 -3.1625 0.0000 C 0 0 0 0 0 0 0 0 0 2.3917 -3.2125 0.0000 C 0 0 0 0 0 0 0 0 0 3.1167 -3.6000 0.0000 C 0 0 0 0 0 0 0 0 0 -1.2125 -2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 7.3417 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 5.9167 -1.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0.2125 -2.0500 0.0000 C 0 0 0 0 0 0 0 0 0 10.2792 -10.0167 0.0000 C 0 0 0 0 0 0 0 0 0 -2.1208 4.9042 0.0000 C 0 0 0 0 0 0 0 0 0 8.8542 -10.0125 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6833 4.9417 0.0000 C 0 0 0 0 0 0 0 0 0 6.6417 -2.2250 0.0000 C 0 0 0 0 0 0 0 0 0 -0.4875 -2.4875 0.0000 C 0 0 0 0 0 0 0 0 0 10.9917 -6.2917 0.0000 C 0 0 0 0 0 0 0 0 0 11.6917 -5.0500 0.0000 C 0 0 0 0 0 0 0 0 0 -1.2208 -1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0.2125 -1.0417 0.0000 C 0 0 0 0 0 0 0 0 0 -2.1375 5.7292 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7083 5.7667 0.0000 C 0 0 0 0 0 0 0 0 0 10.2792 -10.8375 0.0000 C 0 0 0 0 0 0 0 0 0 8.8500 -10.8417 0.0000 C 0 0 0 0 0 0 0 0 0 -1.4333 6.1667 0.0000 C 0 0 0 0 0 0 0 0 0 9.5667 -11.2542 0.0000 C 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 3 1 1 0 0 0 4 6 1 0 0 0 5 3 1 0 0 0 6 33 1 6 0 0 7 5 1 0 0 0 8 6 1 0 0 0 9 1 1 0 0 0 10 2 1 0 0 0 11 20 1 0 0 0 12 44 1 0 0 0 13 3 1 0 0 0 14 4 1 0 0 0 15 1 2 0 0 0 16 2 2 0 0 0 17 2 2 0 0 0 18 1 2 0 0 0 19 12 1 0 0 0 20 21 1 0 0 0 21 19 2 0 0 0 22 59 1 0 0 0 23 49 1 0 0 0 24 7 2 0 0 0 25 8 2 0 0 0 26 43 2 0 0 0 27 41 1 0 0 0 28 11 2 0 0 0 29 12 2 0 0 0 30 7 1 0 0 0 31 8 1 0 0 0 5 32 1 1 0 0 33 51 1 0 0 0 34 22 2 0 0 0 35 23 2 0 0 0 36 10 1 0 0 0 37 9 2 0 0 0 38 10 2 0 0 0 39 9 1 0 0 0 40 36 2 0 0 0 41 39 2 0 0 0 42 37 1 0 0 0 43 38 1 0 0 0 44 61 1 0 0 0 45 11 1 0 0 0 46 26 1 0 0 0 47 27 1 0 0 0 48 22 1 0 0 0 49 50 1 0 0 0 50 32 1 0 0 0 51 48 1 0 0 0 52 30 1 0 0 0 53 31 1 0 0 0 54 14 1 0 0 0 55 13 1 0 0 0 56 19 1 0 0 0 57 58 1 0 0 0 58 56 2 0 0 0 59 68 1 0 0 0 60 23 1 0 0 0 61 67 1 0 0 0 62 45 1 0 0 0 63 47 2 0 0 0 64 46 1 0 0 0 65 47 1 0 0 0 66 46 2 0 0 0 67 60 1 0 0 0 68 62 1 0 0 0 69 55 1 0 0 0 70 55 1 0 0 0 71 54 1 0 0 0 72 54 1 0 0 0 73 64 2 0 0 0 74 66 1 0 0 0 75 63 1 0 0 0 76 65 2 0 0 0 77 74 2 0 0 0 78 76 1 0 0 0 42 27 2 0 0 0 78 75 2 0 0 0 20 57 2 0 0 0 40 26 1 0 0 0 73 77 1 0 0 0 M END > 7.46852108295774 > 6.40120949323689 $$$$ 11280715192D 1 1.00000 0.00000 0 31 33 0 1 0 999 V2000 6.3917 -4.2542 0.0000 S 0 0 3 0 0 0 0 0 0 1.8667 -2.0917 0.0000 N 0 0 0 0 0 0 0 0 0 3.1042 -2.8125 0.0000 C 0 0 0 0 0 0 0 0 0 3.9292 -2.8167 0.0000 N 0 0 0 0 0 0 0 0 0 2.6917 -2.0917 0.0000 N 0 0 0 0 0 0 0 0 0 5.5667 -4.2542 0.0000 N 0 0 0 0 0 0 0 0 0 4.3375 -3.5292 0.0000 C 0 0 0 0 0 0 0 0 0 -1.8333 -2.7875 0.0000 C 0 0 3 0 0 0 0 0 0 5.1625 -3.5375 0.0000 C 0 0 2 0 0 0 0 0 0 1.4542 -2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 2.6792 -3.5250 0.0000 S 0 0 0 0 0 0 0 0 0 7.2167 -4.2542 0.0000 O 0 0 0 0 0 0 0 0 0 6.3917 -3.4292 0.0000 O 0 0 0 0 0 0 0 0 0 6.8042 -4.9750 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0083 -2.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0.6292 -2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 1.8625 -3.5167 0.0000 C 0 0 0 0 0 0 0 0 0 3.9167 -4.2417 0.0000 O 0 0 0 0 0 0 0 0 0 -0.6000 -3.5042 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5958 -2.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0.2167 -2.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0.2167 -3.5042 0.0000 C 0 0 0 0 0 0 0 0 0 -2.2458 -2.0750 0.0000 F 0 0 0 0 0 0 0 0 0 -2.2458 -3.5042 0.0000 F 0 0 0 0 0 0 0 0 0 -2.6583 -2.7875 0.0000 F 0 0 0 0 0 0 0 0 0 5.5792 -2.8250 0.0000 C 0 0 0 0 0 0 0 0 0 6.3792 -5.6792 0.0000 C 0 0 0 0 0 0 0 0 0 7.6250 -4.9750 0.0000 C 0 0 0 0 0 0 0 0 0 8.0292 -5.6875 0.0000 C 0 0 0 0 0 0 0 0 0 6.7917 -6.4000 0.0000 C 0 0 0 0 0 0 0 0 0 7.6167 -6.4042 0.0000 C 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 3 4 1 0 0 0 4 7 1 0 0 0 5 3 2 0 0 0 6 1 1 0 0 0 7 9 1 0 0 0 8 15 1 0 0 0 9 6 1 0 0 0 10 17 1 0 0 0 11 3 1 0 0 0 12 1 2 0 0 0 13 1 2 0 0 0 14 1 1 0 0 0 15 19 2 0 0 0 16 10 1 0 0 0 17 11 1 0 0 0 18 7 2 0 0 0 19 22 1 0 0 0 20 21 2 0 0 0 21 16 1 0 0 0 22 16 2 0 0 0 23 8 1 0 0 0 24 8 1 0 0 0 25 8 1 0 0 0 9 26 1 6 0 0 27 14 2 0 0 0 28 14 1 0 0 0 29 28 2 0 0 0 30 27 1 0 0 0 31 29 1 0 0 0 30 31 2 0 0 0 2 10 2 0 0 0 20 15 1 0 0 0 M END > 6.24412514432751 > 6.36653154442041 $$$$ 11280715402D 1 1.00000 0.00000 0 22 23 0 0 0 999 V2000 5.6125 -2.4417 0.0000 S 0 0 3 0 0 0 0 0 0 5.6125 -3.2667 0.0000 C 0 0 3 0 0 0 0 0 0 5.6125 -1.6167 0.0000 C 0 0 0 0 0 0 0 0 0 4.7875 -2.4417 0.0000 O 0 0 0 0 0 0 0 0 0 6.4375 -2.4417 0.0000 O 0 0 0 0 0 0 0 0 0 6.3250 -3.6792 0.0000 C 0 0 0 0 0 0 0 0 0 6.3292 -1.2042 0.0000 C 0 0 0 0 0 0 0 0 0 4.9000 -1.2042 0.0000 C 0 0 0 0 0 0 0 0 0 4.9000 -3.6792 0.0000 C 0 0 0 0 0 0 0 0 0 5.6125 0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 4.1875 -4.9250 0.0000 S 0 0 0 0 0 0 0 0 0 6.3250 -4.5042 0.0000 C 0 0 0 0 0 0 0 0 0 6.3292 -0.3792 0.0000 C 0 0 0 0 0 0 0 0 0 4.9000 -0.3792 0.0000 C 0 0 0 0 0 0 0 0 0 5.6125 0.8583 0.0000 O 0 0 0 0 0 0 0 0 0 4.9000 -4.5042 0.0000 C 0 0 0 0 0 0 0 0 0 5.6042 -4.9125 0.0000 C 0 0 0 0 0 0 0 0 0 7.0292 -4.9167 0.0000 C 0 0 0 0 0 0 0 0 0 6.3250 1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 7.0292 -5.7375 0.0000 C 0 0 0 0 0 0 0 0 0 5.6042 -5.7292 0.0000 C 0 0 0 0 0 0 0 0 0 6.3167 -6.1500 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 1 2 0 0 0 5 1 2 0 0 0 6 2 1 0 0 0 7 3 2 0 0 0 8 3 1 0 0 0 9 2 1 0 0 0 10 14 1 0 0 0 11 16 1 0 0 0 12 6 1 0 0 0 13 7 1 0 0 0 14 8 2 0 0 0 15 10 1 0 0 0 16 9 1 0 0 0 17 12 2 0 0 0 18 12 1 0 0 0 19 15 1 0 0 0 20 18 2 0 0 0 21 17 1 0 0 0 22 20 1 0 0 0 13 10 2 0 0 0 21 22 2 0 0 0 M END > 9 > 7.22184874961636 $$$$ 11280715162D 1 1.00000 0.00000 0 33 34 0 0 0 999 V2000 6.1125 -19.1625 0.0000 S 0 0 3 0 0 0 0 0 0 3.9625 -18.7625 0.0000 C 0 0 0 0 0 0 0 0 0 5.3875 -18.7542 0.0000 N 0 0 3 0 0 0 0 0 0 4.6792 -19.1750 0.0000 C 0 0 0 0 0 0 0 0 0 4.6792 -20.0000 0.0000 C 0 0 0 0 0 0 0 0 0 3.9625 -17.9375 0.0000 C 0 0 0 0 0 0 0 0 0 6.8250 -19.5750 0.0000 C 0 0 0 0 0 0 0 0 0 6.1125 -19.9875 0.0000 O 0 0 0 0 0 0 0 0 0 6.8250 -18.7500 0.0000 O 0 0 0 0 0 0 0 0 0 3.2500 -19.1750 0.0000 C 0 0 0 0 0 0 0 0 0 6.1000 -17.5125 0.0000 C 0 0 0 0 0 0 0 0 0 6.8125 -17.0917 0.0000 C 0 0 0 0 0 0 0 0 0 3.9625 -20.4125 0.0000 C 0 0 0 0 0 0 0 0 0 3.2500 -20.0000 0.0000 C 0 0 0 0 0 0 0 0 0 4.6750 -17.5250 0.0000 O 0 0 0 0 0 0 0 0 0 5.3875 -17.9292 0.0000 C 0 0 0 0 0 0 0 0 0 3.2500 -17.5250 0.0000 N 0 0 0 0 0 0 0 0 0 7.5250 -19.1625 0.0000 C 0 0 0 0 0 0 0 0 0 6.8167 -20.4000 0.0000 C 0 0 0 0 0 0 0 0 0 8.2375 -17.0875 0.0000 N 0 0 3 0 0 0 0 0 0 2.5375 -20.4125 0.0000 Br 0 0 0 0 0 0 0 0 0 8.2417 -20.3917 0.0000 C 0 0 0 0 0 0 0 0 0 7.5292 -20.8042 0.0000 C 0 0 0 0 0 0 0 0 0 8.2375 -19.5667 0.0000 C 0 0 0 0 0 0 0 0 0 7.5250 -16.6792 0.0000 C 0 0 0 0 0 0 0 0 0 3.2417 -16.7000 0.0000 O 0 0 0 0 0 0 0 0 0 5.4000 -20.4125 0.0000 C 0 0 0 0 0 0 0 0 0 8.9500 -20.8000 0.0000 O 0 0 0 0 0 0 0 0 0 8.2417 -17.9125 0.0000 C 0 0 0 0 0 0 0 0 0 8.9500 -16.6667 0.0000 C 0 0 0 0 0 0 0 0 0 9.6625 -20.3875 0.0000 C 0 0 0 0 0 0 0 0 0 8.9542 -18.3167 0.0000 C 0 0 0 0 0 0 0 0 0 9.6667 -17.0792 0.0000 C 0 0 0 0 0 0 0 0 0 2 4 2 0 0 0 3 1 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 6 2 1 0 0 0 7 1 1 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 2 1 0 0 0 11 16 1 0 0 0 12 11 3 0 0 0 13 5 2 0 0 0 14 13 1 0 0 0 15 6 2 0 0 0 16 3 1 0 0 0 17 6 1 0 0 0 18 7 1 0 0 0 19 7 2 0 0 0 20 25 1 0 0 0 21 14 1 0 0 0 22 23 2 0 0 0 23 19 1 0 0 0 24 18 2 0 0 0 25 12 1 0 0 0 26 17 1 0 0 0 27 5 1 0 0 0 28 22 1 0 0 0 29 20 1 0 0 0 30 20 1 0 0 0 31 28 1 0 0 0 32 29 1 0 0 0 33 30 1 0 0 0 24 22 1 0 0 0 14 10 2 0 0 0 M END > 8.15490195998574 > 6.82390874094432 $$$$ 11280715002D 1 1.00000 0.00000 0 28 29 0 0 0 999 V2000 5.5667 -6.7250 0.0000 S 0 0 3 0 0 0 0 0 0 5.0417 -6.4250 0.0000 N 0 0 3 0 0 0 0 0 0 7.1292 -4.6125 0.0000 N 0 3 0 0 0 0 0 0 0 4.5167 -6.7250 0.0000 C 0 0 0 0 0 0 0 0 0 3.9917 -6.4250 0.0000 C 0 0 0 0 0 0 0 0 0 6.0792 -7.0250 0.0000 C 0 0 0 0 0 0 0 0 0 7.6542 -7.9292 0.0000 C 0 0 0 0 0 0 0 0 0 5.2625 -7.2417 0.0000 O 0 0 0 0 0 0 0 0 0 5.8667 -6.2042 0.0000 O 0 0 0 0 0 0 0 0 0 6.6125 -4.9125 0.0000 C 0 0 0 0 0 0 0 0 0 7.6542 -4.9125 0.0000 O 0 5 0 0 0 0 0 0 0 5.0417 -5.8167 0.0000 C 0 0 0 0 0 0 0 0 0 7.1292 -4.0042 0.0000 O 0 0 0 0 0 0 0 0 0 7.1292 -7.6292 0.0000 C 0 0 0 0 0 0 0 0 0 3.4750 -6.7250 0.0000 O 0 0 0 0 0 0 0 0 0 8.1750 -7.6292 0.0000 O 0 0 0 0 0 0 0 0 0 3.9917 -5.8167 0.0000 N 0 0 0 0 0 0 0 0 0 6.0792 -7.6292 0.0000 C 0 0 0 0 0 0 0 0 0 6.6000 -6.7167 0.0000 C 0 0 0 0 0 0 0 0 0 7.1292 -7.0167 0.0000 C 0 0 0 0 0 0 0 0 0 6.6042 -7.9292 0.0000 C 0 0 0 0 0 0 0 0 0 6.0792 -4.6125 0.0000 C 0 0 0 0 0 0 0 0 0 6.6125 -5.5167 0.0000 C 0 0 0 0 0 0 0 0 0 5.5667 -5.5167 0.0000 C 0 0 0 0 0 0 0 0 0 7.6542 -8.5292 0.0000 O 0 0 0 0 0 0 0 0 0 6.0792 -5.8167 0.0000 C 0 0 0 0 0 0 0 0 0 5.5667 -4.9125 0.0000 C 0 0 0 0 0 0 0 0 0 3.4750 -5.5167 0.0000 O 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 10 1 0 0 0 4 2 1 0 0 0 5 4 1 0 0 0 6 1 1 0 0 0 7 14 1 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 22 1 0 0 0 11 3 1 0 0 0 12 2 1 0 0 0 13 3 2 0 0 0 14 20 1 0 0 0 15 5 2 0 0 0 16 7 2 0 0 0 17 5 1 0 0 0 18 6 2 0 0 0 19 6 1 0 0 0 20 19 2 0 0 0 21 18 1 0 0 0 22 27 2 0 0 0 23 26 1 0 0 0 24 12 1 0 0 0 25 7 1 0 0 0 26 24 2 0 0 0 27 24 1 0 0 0 28 17 1 0 0 0 21 14 2 0 0 0 23 10 2 0 0 0 M CHG 2 3 1 11 -1 M END > 8.15490195998574 > 8.15490195998574 $$$$ 11280715232D 1 1.00000 0.00000 0 29 29 0 0 0 999 V2000 6.1667 -3.2500 0.0000 C 0 0 3 0 0 0 0 0 0 5.4417 -2.8625 0.0000 S 0 0 3 0 0 0 0 0 0 6.1875 -4.0667 0.0000 C 0 0 3 0 0 0 0 0 0 6.9000 -4.4542 0.0000 C 0 0 3 0 0 0 0 0 0 4.7500 -2.4542 0.0000 N 0 0 3 0 0 0 0 0 0 6.9167 -5.2667 0.0000 C 0 0 3 0 0 0 0 0 0 4.0375 -2.8625 0.0000 C 0 0 0 0 0 0 0 0 0 3.3375 -2.4542 0.0000 C 0 0 0 0 0 0 0 0 0 6.1542 -2.1292 0.0000 O 0 0 0 0 0 0 0 0 0 4.7125 -3.5750 0.0000 O 0 0 0 0 0 0 0 0 0 6.8625 -2.8292 0.0000 F 0 0 0 0 0 0 0 0 0 5.6000 -3.8375 0.0000 F 0 0 0 0 0 0 0 0 0 4.7500 -1.6417 0.0000 C 0 0 0 0 0 0 0 0 0 6.7417 -3.4667 0.0000 F 0 0 0 0 0 0 0 0 0 5.4917 -4.4792 0.0000 F 0 0 0 0 0 0 0 0 0 6.3375 -5.0417 0.0000 F 0 0 0 0 0 0 0 0 0 7.5917 -4.0292 0.0000 F 0 0 0 0 0 0 0 0 0 2.6292 -2.8625 0.0000 O 0 0 0 0 0 0 0 0 0 3.3375 -1.6417 0.0000 N 0 0 0 0 0 0 0 0 0 6.2167 -5.6917 0.0000 F 0 0 0 0 0 0 0 0 0 7.4792 -4.6750 0.0000 F 0 0 0 0 0 0 0 0 0 7.6292 -5.6542 0.0000 F 0 0 0 0 0 0 0 0 0 5.4417 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 2.6292 -1.2292 0.0000 O 0 0 0 0 0 0 0 0 0 6.1542 -1.6417 0.0000 C 0 0 0 0 0 0 0 0 0 5.4417 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 6.1542 -0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 6.8625 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 6.8625 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 3 1 0 0 0 5 2 1 0 0 0 6 4 1 0 0 0 7 5 1 0 0 0 8 7 1 0 0 0 9 2 2 0 0 0 10 2 2 0 0 0 11 1 1 0 0 0 12 1 1 0 0 0 13 5 1 0 0 0 14 3 1 0 0 0 15 3 1 0 0 0 16 4 1 0 0 0 17 4 1 0 0 0 18 8 2 0 0 0 19 8 1 0 0 0 20 6 1 0 0 0 21 6 1 0 0 0 22 6 1 0 0 0 23 13 1 0 0 0 24 19 1 0 0 0 25 23 2 0 0 0 26 23 1 0 0 0 27 26 2 0 0 0 28 25 1 0 0 0 29 27 1 0 0 0 28 29 2 0 0 0 M END > 7.88605664769316 > 7.88605664769316 $$$$ 11280715072D 1 1.00000 0.00000 0 42 44 0 1 0 999 V2000 5.3792 -2.5917 0.0000 N 0 0 0 0 0 0 0 0 0 4.6667 -3.0125 0.0000 C 0 0 0 0 0 0 0 0 0 2.5250 -2.6125 0.0000 P 0 0 3 0 0 0 0 0 0 3.9500 -2.6042 0.0000 C 0 0 3 0 0 0 0 0 0 6.0917 -3.0042 0.0000 C 0 0 2 0 0 0 0 0 0 6.8042 -2.5875 0.0000 C 0 0 0 0 0 0 0 0 0 3.2375 -3.0167 0.0000 C 0 0 0 0 0 0 0 0 0 6.1000 -3.8292 0.0000 C 0 0 3 0 0 0 0 0 0 -1.7625 -1.8042 0.0000 C 0 0 0 0 0 0 0 0 0 2.5167 -1.7875 0.0000 O 0 0 0 0 0 0 0 0 0 4.6667 -3.8375 0.0000 O 0 0 0 0 0 0 0 0 0 -1.0500 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 3.9417 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 6.8042 -1.7625 0.0000 O 0 0 0 0 0 0 0 0 0 1.8125 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4833 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 7.5250 -3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 2.5167 -3.4375 0.0000 O 0 0 0 0 0 0 0 0 0 -0.3333 -1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 1.0917 -2.6167 0.0000 C 0 0 0 0 0 0 0 0 0 4.6542 -1.3625 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3333 -2.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0.3667 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 1.0875 -1.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0.3792 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4833 -0.5667 0.0000 O 0 0 0 0 0 0 0 0 0 4.6542 -0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 6.9250 -3.8292 0.0000 C 0 0 0 0 0 0 0 0 0 6.1125 -4.6542 0.0000 C 0 0 0 0 0 0 0 0 0 5.2750 -3.8250 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7625 -2.6375 0.0000 C 0 0 0 0 0 0 0 0 0 -3.1958 -1.8125 0.0000 C 0 0 0 0 0 0 0 0 0 8.2375 -2.5792 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7708 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 5.3667 -0.1250 0.0000 C 0 0 0 0 0 0 0 0 0 3.9417 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7708 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4833 -3.0500 0.0000 C 0 0 0 0 0 0 0 0 0 -3.1958 -2.6375 0.0000 C 0 0 0 0 0 0 0 0 0 5.3625 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 3.9292 0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 4.6417 1.1083 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 7 1 0 0 0 4 2 1 0 0 0 5 1 1 0 0 0 6 5 1 0 0 0 7 4 1 0 0 0 5 8 1 6 0 0 9 12 1 0 0 0 10 3 2 0 0 0 11 2 2 0 0 0 12 19 1 0 0 0 4 13 1 0 0 0 14 6 2 0 0 0 15 3 1 0 0 0 16 9 2 0 0 0 17 6 1 0 0 0 18 3 1 0 0 0 19 22 2 0 0 0 20 15 1 0 0 0 21 13 1 0 0 0 22 25 1 0 0 0 23 24 2 0 0 0 24 20 1 0 0 0 25 20 2 0 0 0 26 16 1 0 0 0 27 21 1 0 0 0 28 8 1 0 0 0 29 8 1 0 0 0 30 8 1 0 0 0 31 9 1 0 0 0 32 16 1 0 0 0 33 17 1 0 0 0 34 26 1 0 0 0 35 27 2 0 0 0 36 27 1 0 0 0 37 34 1 0 0 0 38 31 2 0 0 0 39 38 1 0 0 0 40 35 1 0 0 0 41 36 2 0 0 0 42 41 1 0 0 0 42 40 2 0 0 0 19 23 1 0 0 0 39 32 2 0 0 0 M END > 7.95860731484177 > 6.26760624017703 $$$$ 11280715082D 1 1.00000 0.00000 0 33 35 0 0 0 999 V2000 6.5500 -5.0000 0.0000 S 0 0 3 0 0 0 0 0 0 5.7625 -5.0042 0.0000 N 0 0 3 0 0 0 0 0 0 5.4625 -5.5250 0.0000 C 0 0 0 0 0 0 0 0 0 4.8625 -5.5250 0.0000 C 0 0 0 0 0 0 0 0 0 5.7625 -6.0417 0.0000 C 0 0 0 0 0 0 0 0 0 4.5542 -5.0042 0.0000 C 0 0 0 0 0 0 0 0 0 6.3917 -6.0292 0.0000 C 0 0 0 0 0 0 0 0 0 7.1500 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 7.0167 -4.2500 0.0000 O 0 0 0 0 0 0 0 0 0 6.3042 -4.3125 0.0000 O 0 0 0 0 0 0 0 0 0 5.4542 -4.4792 0.0000 C 0 0 0 0 0 0 0 0 0 4.8917 -4.3417 0.0000 O 0 0 0 0 0 0 0 0 0 6.6917 -5.5042 0.0000 O 0 0 0 0 0 0 0 0 0 6.6542 -3.4417 0.0000 N 0 0 0 0 0 0 0 0 0 3.9542 -5.0042 0.0000 N 0 0 0 0 0 0 0 0 0 5.7542 -3.9625 0.0000 C 0 0 0 0 0 0 0 0 0 7.4417 -5.5167 0.0000 C 0 0 0 0 0 0 0 0 0 7.4417 -4.4792 0.0000 C 0 0 0 0 0 0 0 0 0 4.5667 -6.0417 0.0000 C 0 0 0 0 0 0 0 0 0 5.4625 -6.5542 0.0000 C 0 0 0 0 0 0 0 0 0 6.7042 -6.5375 0.0000 O 0 0 0 0 0 0 0 0 0 8.3417 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 8.0417 -5.5167 0.0000 C 0 0 0 0 0 0 0 0 0 8.0417 -4.4792 0.0000 C 0 0 0 0 0 0 0 0 0 3.6125 -4.3125 0.0000 O 0 0 0 0 0 0 0 0 0 6.3542 -3.9625 0.0000 C 0 0 0 0 0 0 0 0 0 8.9417 -5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 4.8625 -6.5542 0.0000 C 0 0 0 0 0 0 0 0 0 6.3542 -2.9250 0.0000 C 0 0 0 0 0 0 0 0 0 5.4542 -3.4500 0.0000 C 0 0 0 0 0 0 0 0 0 7.3042 -6.5250 0.0000 C 0 0 0 0 0 0 0 0 0 9.2417 -5.5167 0.0000 C 0 0 0 0 0 0 0 0 0 5.7542 -2.9292 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 3 2 0 0 0 6 4 1 0 0 0 7 5 1 0 0 0 8 1 1 0 0 0 9 1 2 0 0 0 10 1 2 0 0 0 11 2 1 0 0 0 12 6 2 0 0 0 13 7 2 0 0 0 14 26 1 0 0 0 15 6 1 0 0 0 16 11 1 0 0 0 17 8 2 0 0 0 18 8 1 0 0 0 19 4 2 0 0 0 20 5 1 0 0 0 21 7 1 0 0 0 22 24 1 0 0 0 23 17 1 0 0 0 24 18 2 0 0 0 25 15 1 0 0 0 26 16 2 0 0 0 27 22 1 0 0 0 28 20 2 0 0 0 29 33 1 0 0 0 30 16 1 0 0 0 31 21 1 0 0 0 32 27 1 0 0 0 33 30 2 0 0 0 22 23 2 0 0 0 28 19 1 0 0 0 29 14 2 0 0 0 M END > 8.39794000867204 > 6.68402965454308 $$$$ 11280715312D 1 1.00000 0.00000 0 21 22 0 1 0 999 V2000 2.4250 -1.6000 0.0000 S 0 0 3 0 0 0 0 0 0 2.4250 -2.2000 0.0000 N 0 0 3 0 0 0 0 0 0 1.9417 -2.5500 0.0000 C 0 0 1 0 0 0 0 0 0 1.3667 -2.3667 0.0000 C 0 0 0 0 0 0 0 0 0 2.9125 -2.5500 0.0000 C 0 0 0 0 0 0 0 0 0 2.9417 -1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 2.1250 -3.1250 0.0000 C 0 0 0 0 0 0 0 0 0 2.4167 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 1.8417 -1.4417 0.0000 O 0 0 0 0 0 0 0 0 0 2.7250 -3.1250 0.0000 C 0 0 2 0 0 0 0 0 0 1.2417 -1.7792 0.0000 O 0 0 0 0 0 0 0 0 0 0.9250 -2.7667 0.0000 N 0 0 0 0 0 0 0 0 0 3.4667 -1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 2.9417 -0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 3.0792 -3.6042 0.0000 N 0 0 0 0 0 0 0 0 0 3.9875 -0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 3.9875 -1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 3.4625 -0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0.3542 -2.5792 0.0000 O 0 0 0 0 0 0 0 0 0 4.5042 -0.4000 0.0000 O 0 0 0 0 0 0 0 0 0 5.0250 -0.6917 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 2 1 0 0 0 6 1 1 0 0 0 3 7 1 6 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 5 1 0 0 0 11 4 2 0 0 0 12 4 1 0 0 0 13 6 2 0 0 0 14 6 1 0 0 0 10 15 1 1 0 0 16 18 1 0 0 0 17 13 1 0 0 0 18 14 2 0 0 0 19 12 1 0 0 0 20 16 1 0 0 0 21 20 1 0 0 0 16 17 2 0 0 0 10 7 1 0 0 0 M END > 8.30102999566398 > 6.60205999132796 $$$$ 11280715332D 1 1.00000 0.00000 0 29 31 0 1 0 999 V2000 5.3250 -3.1250 0.0000 S 0 0 3 0 0 0 0 0 0 5.6125 -3.9042 0.0000 N 0 0 3 0 0 0 0 0 0 5.0792 -4.5375 0.0000 C 0 0 1 0 0 0 0 0 0 4.2542 -4.4917 0.0000 C 0 0 0 0 0 0 0 0 0 6.3750 -4.2125 0.0000 C 0 0 0 0 0 0 0 0 0 6.3167 -5.0375 0.0000 C 0 0 0 0 0 0 0 0 0 5.5167 -5.2292 0.0000 C 0 0 0 0 0 0 0 0 0 6.1042 -2.8375 0.0000 C 0 0 0 0 0 0 0 0 0 5.0375 -2.3417 0.0000 O 0 0 0 0 0 0 0 0 0 4.5417 -3.4125 0.0000 O 0 0 0 0 0 0 0 0 0 6.9417 -5.5750 0.0000 N 0 0 0 0 0 0 0 0 0 3.8792 -3.7542 0.0000 O 0 0 0 0 0 0 0 0 0 3.8042 -5.1875 0.0000 N 0 0 0 0 0 0 0 0 0 6.7292 -3.3625 0.0000 C 0 0 0 0 0 0 0 0 0 6.2417 -2.0250 0.0000 C 0 0 0 0 0 0 0 0 0 8.4292 -1.9875 0.0000 O 0 0 0 0 0 0 0 0 0 7.6500 -2.2667 0.0000 C 0 0 0 0 0 0 0 0 0 9.0667 -2.5167 0.0000 C 0 0 0 0 0 0 0 0 0 10.3250 -3.5750 0.0000 C 0 0 0 0 0 0 0 0 0 7.5042 -3.0792 0.0000 C 0 0 0 0 0 0 0 0 0 7.0167 -1.7417 0.0000 C 0 0 0 0 0 0 0 0 0 7.7167 -5.3042 0.0000 O 0 0 0 0 0 0 0 0 0 10.9542 -4.1042 0.0000 F 0 0 0 0 0 0 0 0 0 2.9792 -5.1417 0.0000 O 0 0 0 0 0 0 0 0 0 9.8375 -2.2375 0.0000 C 0 0 0 0 0 0 0 0 0 8.9250 -3.3292 0.0000 C 0 0 0 0 0 0 0 0 0 9.5542 -3.8542 0.0000 C 0 0 0 0 0 0 0 0 0 10.4667 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 8.3417 -5.8417 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 2 1 0 0 0 6 5 1 0 0 0 3 7 1 6 0 0 8 1 1 0 0 0 9 1 2 0 0 0 10 1 2 0 0 0 11 6 2 0 0 0 12 4 2 0 0 0 13 4 1 0 0 0 14 8 2 0 0 0 15 8 1 0 0 0 16 17 1 0 0 0 17 21 1 0 0 0 18 16 1 0 0 0 19 27 2 0 0 0 20 14 1 0 0 0 21 15 2 0 0 0 22 11 1 0 0 0 23 19 1 0 0 0 24 13 1 0 0 0 25 18 1 0 0 0 26 18 2 0 0 0 27 26 1 0 0 0 28 25 2 0 0 0 29 22 1 0 0 0 17 20 2 0 0 0 6 7 1 0 0 0 19 28 1 0 0 0 M END > 9.09691001300806 > 8.52287874528034 $$$$ 11280715162D 1 1.00000 0.00000 0 32 35 0 0 0 999 V2000 1.5167 -5.9125 0.0000 N 0 0 0 0 0 0 0 0 0 0.6917 -5.8917 0.0000 N 0 0 3 0 0 0 0 0 0 0.2667 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 1.9167 -6.6250 0.0000 N 0 0 0 0 0 0 0 0 0 0.6750 -7.3167 0.0000 C 0 0 0 0 0 0 0 0 0 1.9667 -3.7625 0.0000 C 0 0 0 0 0 0 0 0 0 1.4917 -7.3292 0.0000 C 0 0 0 0 0 0 0 0 0 1.1375 -3.7500 0.0000 C 0 0 3 0 0 0 0 0 0 1.1167 -5.1792 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5583 -6.5792 0.0000 O 0 0 0 0 0 0 0 0 0 -0.0958 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0.7125 -4.4625 0.0000 C 0 0 0 0 0 0 0 0 0 2.3750 -4.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0.7292 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 2.3792 -3.0500 0.0000 N 0 0 0 0 0 0 0 0 0 -0.5083 0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5083 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0.7375 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 1.1417 -2.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0.7375 -1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0.2500 -8.0167 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0958 -1.5917 0.0000 C 0 0 0 0 0 0 0 0 0 1.1500 -0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 1.9667 -2.3375 0.0000 O 0 0 0 0 0 0 0 0 0 1.8917 -8.0500 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0958 1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3333 0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0.6417 -8.7417 0.0000 C 0 0 0 0 0 0 0 0 0 1.4750 -8.7542 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7458 1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5083 1.9833 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3333 1.9833 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 1 2 0 0 0 5 7 2 0 0 0 6 8 1 0 0 0 7 4 1 0 0 0 8 12 1 0 0 0 9 2 1 0 0 0 10 3 2 0 0 0 11 18 2 0 0 0 12 9 1 0 0 0 13 6 2 0 0 0 14 8 1 0 0 0 15 6 1 0 0 0 16 11 1 0 0 0 17 22 2 0 0 0 18 23 1 0 0 0 19 14 1 0 0 0 20 19 1 0 0 0 21 5 1 0 0 0 22 20 1 0 0 0 23 20 2 0 0 0 24 15 1 0 0 0 25 7 1 0 0 0 26 16 2 0 0 0 27 16 1 0 0 0 28 29 1 0 0 0 29 25 2 0 0 0 30 27 2 0 0 0 31 26 1 0 0 0 32 30 1 0 0 0 3 5 1 0 0 0 21 28 2 0 0 0 17 11 1 0 0 0 31 32 2 0 0 0 M END > 8.52287874528034 > 7.50863830616573 $$$$ 11280715072D 1 1.00000 0.00000 0 41 43 0 1 0 999 V2000 5.3792 -2.5917 0.0000 N 0 0 0 0 0 0 0 0 0 4.6667 -3.0125 0.0000 C 0 0 0 0 0 0 0 0 0 2.5250 -2.6125 0.0000 P 0 0 3 0 0 0 0 0 0 3.9500 -2.6042 0.0000 C 0 0 3 0 0 0 0 0 0 6.0917 -3.0042 0.0000 C 0 0 2 0 0 0 0 0 0 6.8042 -2.5875 0.0000 C 0 0 0 0 0 0 0 0 0 3.2375 -3.0167 0.0000 C 0 0 0 0 0 0 0 0 0 6.1000 -3.8292 0.0000 C 0 0 3 0 0 0 0 0 0 2.5167 -1.7875 0.0000 O 0 0 0 0 0 0 0 0 0 4.6667 -3.8375 0.0000 O 0 0 0 0 0 0 0 0 0 3.9417 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 6.8042 -1.7625 0.0000 O 0 0 0 0 0 0 0 0 0 1.8125 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 7.5250 -3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 2.5167 -3.4375 0.0000 O 0 0 0 0 0 0 0 0 0 1.0917 -2.6167 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3333 -1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0500 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 4.6542 -0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 4.6542 -1.3625 0.0000 C 0 0 0 0 0 0 0 0 0 4.6417 1.1083 0.0000 C 0 0 0 0 0 0 0 0 0 1.0875 -1.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0.3667 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0.3792 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3333 -2.6250 0.0000 C 0 0 0 0 0 0 0 0 0 5.3667 -0.1250 0.0000 C 0 0 0 0 0 0 0 0 0 3.9417 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 3.9292 0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 5.3625 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7625 -1.8042 0.0000 C 0 0 0 0 0 0 0 0 0 4.6417 1.9375 0.0000 O 0 0 0 0 0 0 0 0 0 5.2750 -3.8250 0.0000 C 0 0 0 0 0 0 0 0 0 6.9250 -3.8292 0.0000 C 0 0 0 0 0 0 0 0 0 6.1125 -4.6542 0.0000 C 0 0 0 0 0 0 0 0 0 8.2375 -2.5792 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7625 -2.6375 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4833 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 3.9292 2.3458 0.0000 C 0 0 0 0 0 0 0 0 0 -3.1958 -1.8125 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4833 -3.0500 0.0000 C 0 0 0 0 0 0 0 0 0 -3.1958 -2.6375 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 7 1 0 0 0 4 2 1 0 0 0 5 1 1 0 0 0 6 5 1 0 0 0 7 4 1 0 0 0 5 8 1 6 0 0 9 3 2 0 0 0 10 2 2 0 0 0 4 11 1 0 0 0 12 6 2 0 0 0 13 3 1 0 0 0 14 6 1 0 0 0 15 3 1 0 0 0 16 13 1 0 0 0 17 25 2 0 0 0 18 17 1 0 0 0 19 20 1 0 0 0 20 11 1 0 0 0 21 28 1 0 0 0 22 16 1 0 0 0 23 22 2 0 0 0 24 16 2 0 0 0 25 24 1 0 0 0 26 19 2 0 0 0 27 19 1 0 0 0 28 27 2 0 0 0 29 26 1 0 0 0 30 18 1 0 0 0 31 21 1 0 0 0 32 8 1 0 0 0 33 8 1 0 0 0 34 8 1 0 0 0 35 14 1 0 0 0 36 30 1 0 0 0 37 30 2 0 0 0 38 31 1 0 0 0 39 37 1 0 0 0 40 36 2 0 0 0 41 39 2 0 0 0 21 29 2 0 0 0 17 23 1 0 0 0 41 40 1 0 0 0 M END > 8.11350927482752 > 5.79588001734407 $$$$ 11280715082D 1 1.00000 0.00000 0 30 32 0 0 0 999 V2000 8.8542 -6.1167 0.0000 C 0 0 3 0 0 0 0 0 0 8.1417 -6.5375 0.0000 S 0 0 3 0 0 0 0 0 0 9.5792 -6.5167 0.0000 C 0 0 0 0 0 0 0 0 0 8.1500 -5.7125 0.0000 C 0 0 0 0 0 0 0 0 0 9.5667 -5.7125 0.0000 C 0 0 0 0 0 0 0 0 0 7.4292 -6.1250 0.0000 C 0 0 0 0 0 0 0 0 0 8.8542 -4.4667 0.0000 N 0 0 3 0 0 0 0 0 0 8.7292 -7.1167 0.0000 O 0 0 0 0 0 0 0 0 0 7.5542 -7.1167 0.0000 O 0 0 0 0 0 0 0 0 0 9.5917 -7.3417 0.0000 O 0 0 0 0 0 0 0 0 0 10.2875 -6.1000 0.0000 N 0 0 0 0 0 0 0 0 0 8.1500 -4.8875 0.0000 C 0 0 0 0 0 0 0 0 0 9.5667 -4.8875 0.0000 C 0 0 0 0 0 0 0 0 0 6.7125 -6.5375 0.0000 C 0 0 0 0 0 0 0 0 0 7.4292 -5.2917 0.0000 C 0 0 0 0 0 0 0 0 0 8.8542 -3.6417 0.0000 C 0 0 0 0 0 0 0 0 0 9.5750 -3.2292 0.0000 C 0 0 0 0 0 0 0 0 0 6.0000 -5.3000 0.0000 C 0 0 0 0 0 0 0 0 0 11.0042 -2.4125 0.0000 C 0 0 0 0 0 0 0 0 0 6.7125 -4.8792 0.0000 C 0 0 0 0 0 0 0 0 0 6.0000 -6.1250 0.0000 C 0 0 0 0 0 0 0 0 0 11.0042 -6.5000 0.0000 O 0 0 0 0 0 0 0 0 0 10.2917 -3.6500 0.0000 C 0 0 0 0 0 0 0 0 0 9.5750 -2.4125 0.0000 C 0 0 0 0 0 0 0 0 0 10.2875 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 11.0042 -3.2375 0.0000 C 0 0 0 0 0 0 0 0 0 5.2792 -4.8792 0.0000 O 0 0 0 0 0 0 0 0 0 11.7167 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 4.5667 -5.2917 0.0000 C 0 0 0 0 0 0 0 0 0 11.7167 -1.1750 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 1 1 0 0 0 5 1 1 0 0 0 6 2 1 0 0 0 7 13 1 0 0 0 8 2 2 0 0 0 9 2 2 0 0 0 10 3 2 0 0 0 11 3 1 0 0 0 12 4 1 0 0 0 13 5 1 0 0 0 14 6 2 0 0 0 15 6 1 0 0 0 16 7 1 0 0 0 17 16 1 0 0 0 18 20 1 0 0 0 19 25 1 0 0 0 20 15 2 0 0 0 21 14 1 0 0 0 22 11 1 0 0 0 23 17 2 0 0 0 24 17 1 0 0 0 25 24 2 0 0 0 26 23 1 0 0 0 27 18 1 0 0 0 28 19 1 0 0 0 29 27 1 0 0 0 30 28 1 0 0 0 12 7 1 0 0 0 18 21 2 0 0 0 26 19 2 0 0 0 M END > 8.69897000433602 > 6.19246497193115 $$$$ 11280715082D 1 1.00000 0.00000 0 28 29 0 0 0 999 V2000 3.6125 -3.2125 0.0000 S 0 0 3 0 0 0 0 0 0 4.3250 -2.7917 0.0000 C 0 0 3 0 0 0 0 0 0 5.0417 -3.2000 0.0000 C 0 0 0 0 0 0 0 0 0 5.0375 -2.3792 0.0000 C 0 0 0 0 0 0 0 0 0 2.7875 -3.2417 0.0000 C 0 0 0 0 0 0 0 0 0 3.6042 -2.3917 0.0000 C 0 0 0 0 0 0 0 0 0 3.0250 -3.7917 0.0000 O 0 0 0 0 0 0 0 0 0 4.1917 -3.7917 0.0000 O 0 0 0 0 0 0 0 0 0 5.0292 -1.5542 0.0000 C 0 0 0 0 0 0 0 0 0 5.0500 -4.0250 0.0000 O 0 0 0 0 0 0 0 0 0 5.7542 -2.7792 0.0000 N 0 0 0 0 0 0 0 0 0 2.8750 -0.3417 0.0000 N 0 0 0 0 0 0 0 0 0 5.7417 -1.1292 0.0000 C 0 0 0 0 0 0 0 0 0 2.3417 -2.5417 0.0000 C 0 0 0 0 0 0 0 0 0 2.4042 -3.9750 0.0000 C 0 0 0 0 0 0 0 0 0 3.6000 -1.5667 0.0000 C 0 0 0 0 0 0 0 0 0 1.1375 -3.3125 0.0000 C 0 0 0 0 0 0 0 0 0 1.5792 -4.0042 0.0000 C 0 0 0 0 0 0 0 0 0 1.5167 -2.5792 0.0000 C 0 0 0 0 0 0 0 0 0 6.4667 -3.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0.3125 -3.3417 0.0000 O 0 0 0 0 0 0 0 0 0 2.8792 -1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 3.5917 0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 5.7292 -0.3042 0.0000 C 0 0 0 0 0 0 0 0 0 6.4542 -1.5417 0.0000 C 0 0 0 0 0 0 0 0 0 4.3167 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0708 -4.0792 0.0000 C 0 0 0 0 0 0 0 0 0 4.3125 -0.3292 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 2 1 0 0 0 5 1 1 0 0 0 6 2 1 0 0 0 7 1 2 0 0 0 8 1 2 0 0 0 9 4 1 0 0 0 10 3 2 0 0 0 11 3 1 0 0 0 12 22 2 0 0 0 13 9 2 0 0 0 14 5 2 0 0 0 15 5 1 0 0 0 16 6 1 0 0 0 17 18 1 0 0 0 18 15 2 0 0 0 19 14 1 0 0 0 20 11 1 0 0 0 21 17 1 0 0 0 22 16 1 0 0 0 23 28 2 0 0 0 24 13 1 0 0 0 25 13 1 0 0 0 26 16 2 0 0 0 27 21 1 0 0 0 28 26 1 0 0 0 17 19 2 0 0 0 23 12 1 0 0 0 M END > 8.52287874528034 > 6.80687540164554 $$$$ 11280715172D 1 1.00000 0.00000 0 32 34 0 1 0 999 V2000 2.5875 -1.2250 0.0000 S 0 0 3 0 0 0 0 0 0 2.5500 -1.8917 0.0000 N 0 0 3 0 0 0 0 0 0 2.9750 -2.3167 0.0000 C 0 0 2 0 0 0 0 0 0 2.9667 -2.9167 0.0000 C 0 0 3 0 0 0 0 0 0 2.0292 -2.1917 0.0000 C 0 0 0 0 0 0 0 0 0 2.0417 -2.9125 0.0000 C 0 0 3 0 0 0 0 0 0 3.5500 -2.1542 0.0000 C 0 0 0 0 0 0 0 0 0 2.7042 -0.6667 0.0000 C 0 0 0 0 0 0 0 0 0 2.0042 -1.2542 0.0000 O 0 0 0 0 0 0 0 0 0 3.1292 -1.2542 0.0000 O 0 0 0 0 0 0 0 0 0 3.5417 -1.6667 0.0000 O 0 0 0 0 0 0 0 0 0 4.0667 -2.4542 0.0000 N 0 0 0 0 0 0 0 0 0 3.3000 -0.5792 0.0000 C 0 0 0 0 0 0 0 0 0 2.3375 -0.1917 0.0000 C 0 0 0 0 0 0 0 0 0 3.3875 -3.3375 0.0000 C 0 0 0 0 0 0 0 0 0 3.1500 0.4583 0.0000 C 0 0 0 0 0 0 0 0 0 2.5542 0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 3.5250 -0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 3.3875 -3.9375 0.0000 S 0 0 0 0 0 0 0 0 0 1.5375 -2.9125 0.0000 C 0 0 0 0 0 0 0 0 0 1.8167 -3.3917 0.0000 C 0 0 0 0 0 0 0 0 0 4.6667 -2.4542 0.0000 O 0 0 0 0 0 0 0 0 0 3.3667 1.0125 0.0000 O 0 0 0 0 0 0 0 0 0 4.4250 -5.1375 0.0000 C 0 0 0 0 0 0 0 0 0 3.9042 -4.2375 0.0000 C 0 0 0 0 0 0 0 0 0 3.9042 -4.8375 0.0000 C 0 0 0 0 0 0 0 0 0 3.9542 1.1083 0.0000 C 0 0 0 0 0 0 0 0 0 4.4167 -5.7375 0.0000 C 0 0 0 0 0 0 0 0 0 4.9375 -4.8375 0.0000 C 0 0 0 0 0 0 0 0 0 5.4542 -5.1292 0.0000 C 0 0 0 0 0 0 0 0 0 4.9417 -6.0375 0.0000 C 0 0 0 0 0 0 0 0 0 5.4625 -5.7375 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 3 4 1 1 0 0 5 2 1 0 0 0 6 5 1 0 0 0 7 3 1 0 0 0 8 1 1 0 0 0 9 1 2 0 0 0 10 1 2 0 0 0 11 7 2 0 0 0 12 7 1 0 0 0 13 8 2 0 0 0 14 8 1 0 0 0 15 4 1 0 0 0 16 17 1 0 0 0 17 14 2 0 0 0 18 13 1 0 0 0 19 15 1 0 0 0 20 6 1 0 0 0 21 6 1 0 0 0 22 12 1 0 0 0 23 16 1 0 0 0 24 26 1 0 0 0 25 19 1 0 0 0 26 25 1 0 0 0 27 23 1 0 0 0 28 24 2 0 0 0 29 24 1 0 0 0 30 29 2 0 0 0 31 28 1 0 0 0 32 30 1 0 0 0 16 18 2 0 0 0 4 6 1 0 0 0 31 32 2 0 0 0 M END > 7.76955107862173 > 6.18442225167573 $$$$ 11280714532D 1 1.00000 0.00000 0 34 37 0 0 0 999 V2000 2.0375 0.8708 0.0000 S 0 0 3 0 0 0 0 0 0 2.0417 -0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 1.3292 -0.3792 0.0000 C 0 0 0 0 0 0 0 0 0 1.3292 0.4458 0.0000 N 0 0 3 0 0 0 0 0 0 2.0500 -1.6167 0.0000 C 0 0 0 0 0 0 0 0 0 3.3167 -1.1917 0.0000 N 0 0 0 0 0 0 0 0 0 2.8375 -1.8667 0.0000 N 0 0 3 0 0 0 0 0 0 2.8292 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0.6167 -0.7917 0.0000 C 0 0 0 0 0 0 0 0 0 1.3292 -2.0292 0.0000 N 0 0 0 0 0 0 0 0 0 -0.0958 -0.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0.6167 -1.6167 0.0000 C 0 0 0 0 0 0 0 0 0 2.7542 1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 1.6167 1.5833 0.0000 O 0 0 0 0 0 0 0 0 0 2.4417 0.1583 0.0000 O 0 0 0 0 0 0 0 0 0 0.6042 0.8583 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0958 0.4458 0.0000 O 0 0 0 0 0 0 0 0 0 1.3125 2.9208 0.0000 N 0 0 0 0 0 0 0 0 0 -0.8083 -0.7917 0.0000 N 0 0 0 0 0 0 0 0 0 0.6042 1.6833 0.0000 C 0 0 0 0 0 0 0 0 0 2.7625 2.0958 0.0000 C 0 0 0 0 0 0 0 0 0 3.4625 0.8458 0.0000 C 0 0 0 0 0 0 0 0 0 3.0917 -2.6500 0.0000 C 0 0 0 0 0 0 0 0 0 4.1917 2.0833 0.0000 C 0 0 0 0 0 0 0 0 0 3.0792 0.2583 0.0000 C 0 0 0 0 0 0 0 0 0 4.1792 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 3.4792 2.4958 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5208 -0.3792 0.0000 O 0 0 0 0 0 0 0 0 0 1.3167 2.0958 0.0000 C 0 0 0 0 0 0 0 0 0 4.9042 2.4958 0.0000 O 0 0 0 0 0 0 0 0 0 0.5917 3.3333 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1083 2.0833 0.0000 C 0 0 0 0 0 0 0 0 0 5.6167 2.0875 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1208 2.9083 0.0000 C 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 1 1 0 0 0 5 2 1 0 0 0 6 8 2 0 0 0 7 5 1 0 0 0 8 2 1 0 0 0 9 3 1 0 0 0 10 12 1 0 0 0 11 9 1 0 0 0 12 9 2 0 0 0 13 1 1 0 0 0 14 1 2 0 0 0 15 1 2 0 0 0 16 4 1 0 0 0 17 11 2 0 0 0 18 29 1 0 0 0 19 11 1 0 0 0 20 16 1 0 0 0 21 13 1 0 0 0 22 13 2 0 0 0 23 7 1 0 0 0 24 26 2 0 0 0 25 8 1 0 0 0 26 22 1 0 0 0 27 21 2 0 0 0 28 19 1 0 0 0 29 20 2 0 0 0 30 24 1 0 0 0 31 34 1 0 0 0 32 20 1 0 0 0 33 30 1 0 0 0 34 32 2 0 0 0 27 24 1 0 0 0 5 10 2 0 0 0 6 7 1 0 0 0 31 18 2 0 0 0 M END > 8.69897000433602 > 7.4089353929735 $$$$ 11280715522D 1 1.00000 0.00000 0 33 35 0 1 0 999 V2000 6.2861 -5.5208 0.0000 C 0 0 0 0 0 0 0 0 0 6.2849 -6.3482 0.0000 C 0 0 0 0 0 0 0 0 0 6.9997 -6.7610 0.0000 C 0 0 0 0 0 0 0 0 0 7.7162 -6.3477 0.0000 C 0 0 0 0 0 0 0 0 0 7.7133 -5.5172 0.0000 C 0 0 0 0 0 0 0 0 0 6.9979 -5.1080 0.0000 C 0 0 0 0 0 0 0 0 0 6.9992 -4.2848 0.0000 O 0 0 0 0 0 0 0 0 0 6.2835 -3.8744 0.0000 C 0 0 0 0 0 0 0 0 0 6.9995 -7.5860 0.0000 C 0 0 1 0 0 0 0 0 0 7.7139 -7.9987 0.0000 C 0 0 0 0 0 0 0 0 0 7.7137 -8.8237 0.0000 O 0 0 0 0 0 0 0 0 0 8.4285 -7.5864 0.0000 N 0 0 3 0 0 0 0 0 0 6.2808 -7.9984 0.0000 C 0 0 1 0 0 0 0 0 0 5.5664 -7.5857 0.0000 C 0 0 0 0 0 0 0 0 0 6.2812 -8.8229 0.0000 C 0 0 0 0 0 0 0 0 0 5.5666 -6.7607 0.0000 O 0 0 0 0 0 0 0 0 0 4.8518 -7.9980 0.0000 N 0 0 0 0 0 0 0 0 0 4.1375 -7.5853 0.0000 O 0 0 0 0 0 0 0 0 0 5.7015 -9.4099 0.0000 N 0 0 3 0 0 0 0 0 0 4.8893 -9.2891 0.0000 C 0 0 0 0 0 0 0 0 0 4.5194 -10.0265 0.0000 N 0 0 3 0 0 0 0 0 0 5.1064 -10.6062 0.0000 C 0 0 3 0 0 0 0 0 0 5.8391 -10.2270 0.0000 C 0 0 0 0 0 0 0 0 0 4.5091 -8.5569 0.0000 O 0 0 0 0 0 0 0 0 0 6.5771 -10.5956 0.0000 O 0 0 0 0 0 0 0 0 0 3.7054 -10.1606 0.0000 C 0 0 0 0 0 0 0 0 0 4.3042 -10.8167 0.0000 C 0 0 0 0 0 0 0 0 0 5.6505 -11.2264 0.0000 C 0 0 0 0 0 0 0 0 0 9.1379 -8.0029 0.0000 C 0 0 0 0 0 0 0 0 0 9.8503 -7.5940 0.0000 C 0 0 0 0 0 0 0 0 0 9.8548 -6.7687 0.0000 C 0 0 0 0 0 0 0 0 0 9.1406 -6.3538 0.0000 C 0 0 0 0 0 0 0 0 0 8.4219 -6.7643 0.0000 C 0 0 0 0 0 0 0 0 0 6 7 1 0 0 0 14 17 1 0 0 0 17 18 1 0 0 0 9 3 1 1 0 0 15 19 1 0 0 0 19 20 1 0 0 0 4 5 1 0 0 0 9 10 1 0 0 0 2 3 1 0 0 0 10 11 2 0 0 0 20 21 1 0 0 0 21 22 1 0 0 0 22 23 1 0 0 0 23 19 1 0 0 0 5 6 2 0 0 0 20 24 2 0 0 0 10 12 1 0 0 0 23 25 2 0 0 0 6 1 1 0 0 0 21 26 1 0 0 0 9 13 1 0 0 0 22 27 1 0 0 0 1 2 2 0 0 0 22 28 1 0 0 0 12 29 1 0 0 0 13 14 1 0 0 0 3 4 2 0 0 0 13 15 1 6 0 0 7 8 1 0 0 0 14 16 2 0 0 0 12 33 1 0 0 0 29 30 1 0 0 0 30 31 1 0 0 0 31 32 1 0 0 0 32 33 1 0 0 0 M END > 7.72124639904717 > 7.08092190762393 $$$$ CDK 9/16/09,9:58 34 36 0 0 0 0 0 0 0 0999 V2000 -1.2889 -1.0566 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6363 -0.5502 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0140 -0.0549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1394 0.1051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1263 -1.2002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7226 -0.4635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4284 -0.0525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4254 0.7659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7108 1.1714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0079 0.7581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1385 1.1828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 2.0089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8472 2.4259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5555 2.8410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2682 3.2587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1195 -1.8587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0325 -0.6862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7820 -1.0371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9726 -1.8420 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6426 -2.4967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4677 -2.4943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8804 -3.2066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4693 -3.9217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6411 -3.9200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2320 -3.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8823 -4.6372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7084 -4.6373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7801 -2.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3350 -1.4047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0326 -2.8032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0225 0.1398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3022 0.5441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7330 0.5615 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7229 1.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 8 9 1 0 0 0 0 17 18 1 0 0 0 0 2 5 2 0 0 0 0 21 19 1 0 0 0 0 18 19 1 0 0 0 0 9 10 2 0 0 0 0 10 3 1 0 0 0 0 20 21 2 0 0 0 0 2 3 1 0 0 0 0 21 22 1 0 0 0 0 8 11 1 0 0 0 0 22 23 2 0 0 0 0 3 6 2 0 0 0 0 23 24 1 0 0 0 0 11 12 1 0 0 0 0 24 25 2 0 0 0 0 25 20 1 0 0 0 0 1 2 1 0 0 0 0 23 26 1 0 0 0 0 12 13 1 0 0 0 0 26 27 1 0 0 0 0 6 7 1 0 0 0 0 19 28 1 0 0 0 0 13 14 3 0 0 0 0 28 29 1 0 0 0 0 2 4 2 0 0 0 0 28 30 2 0 0 0 0 14 15 1 0 0 0 0 17 31 1 0 0 0 0 7 8 2 0 0 0 0 31 32 2 0 0 0 0 1 16 1 0 0 0 0 31 33 1 0 0 0 0 16 20 1 0 0 0 0 33 34 1 0 0 0 0 M END > 7.69897000433602 > 6.30102999566398 $$$$ SciTegic11161115462D 31 33 0 0 0 0 999 V2000 17.2696 -11.7378 0.0000 C 0 0 16.5534 -12.1492 0.0000 C 0 0 16.5517 -12.9706 0.0000 C 0 0 17.2644 -13.3868 0.0000 O 0 0 17.9806 -12.9754 0.0000 C 0 0 17.9840 -12.1478 0.0000 C 0 0 17.9840 -11.3251 0.0000 S 0 0 18.3963 -10.6106 0.0000 O 0 0 17.5713 -10.6108 0.0000 O 0 0 18.6986 -11.7375 0.0000 C 0 0 18.6974 -12.5648 0.0000 C 0 0 19.4122 -12.9777 0.0000 C 0 0 20.1287 -12.5644 0.0000 C 0 0 20.1258 -11.7338 0.0000 C 0 0 19.4104 -11.3247 0.0000 C 0 0 20.8438 -12.9757 0.0000 O 0 0 16.5551 -11.3255 0.0000 C 0 0 16.5549 -10.5005 0.0000 O 0 0 15.8407 -11.7381 0.0000 N 0 0 15.1261 -11.3258 0.0000 O 0 0 21.5576 -12.5621 0.0000 C 0 0 22.2694 -12.9739 0.0000 C 0 0 22.9827 -12.5610 0.0000 C 0 0 22.9819 -11.7351 0.0000 C 0 0 22.2617 -11.3239 0.0000 C 0 0 21.5513 -11.7392 0.0000 C 0 0 23.6951 -11.3205 0.0000 S 0 0 24.4108 -11.7310 0.0000 C 0 0 25.1241 -11.3164 0.0000 F 0 0 24.4132 -12.5560 0.0000 F 0 0 25.1208 -12.1417 0.0000 F 0 0 13 16 1 0 10 7 1 0 7 1 1 0 1 2 1 0 1 17 1 0 1 6 1 0 17 18 2 0 2 3 1 0 17 19 1 0 3 4 1 0 19 20 1 0 10 11 2 0 16 21 1 0 4 5 1 0 21 22 2 0 11 12 1 0 22 23 1 0 5 6 1 0 23 24 2 0 12 13 2 0 24 25 1 0 8 7 2 0 25 26 2 0 26 21 1 0 13 14 1 0 24 27 1 0 7 9 2 0 27 28 1 0 14 15 2 0 28 29 1 0 15 10 1 0 28 30 1 0 28 31 1 0 M END > 9.60205999132796 > 5.30102999566398 $$$$ 11280715122D 1 1.00000 0.00000 0 29 30 0 0 0 999 V2000 5.2292 -0.7667 0.0000 S 0 0 3 0 0 0 0 0 0 5.4125 -1.5792 0.0000 N 0 0 3 0 0 0 0 0 0 4.7667 -2.0875 0.0000 C 0 0 3 0 0 0 0 0 0 5.2292 -4.2292 0.0000 C 0 0 0 0 0 0 0 0 0 5.4125 -3.4292 0.0000 N 0 0 3 0 0 0 0 0 0 4.0250 -1.7250 0.0000 C 0 0 0 0 0 0 0 0 0 4.7667 -2.9167 0.0000 C 0 0 0 0 0 0 0 0 0 5.8375 -0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 4.4417 -4.4750 0.0000 O 0 0 0 0 0 0 0 0 0 4.4292 -0.5542 0.0000 O 0 0 0 0 0 0 0 0 0 6.0292 -0.9792 0.0000 O 0 0 0 0 0 0 0 0 0 5.8375 -4.7917 0.0000 O 0 0 0 0 0 0 0 0 0 3.9667 -0.9042 0.0000 O 0 0 0 0 0 0 0 0 0 3.3417 -2.1875 0.0000 N 0 0 0 0 0 0 0 0 0 4.2542 -5.2792 0.0000 C 0 0 3 0 0 0 0 0 0 6.2167 -1.7625 0.0000 C 0 0 0 0 0 0 0 0 0 5.6542 0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 6.6250 -0.4542 0.0000 C 0 0 0 0 0 0 0 0 0 6.5667 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 6.2167 -3.2417 0.0000 C 0 0 0 0 0 0 0 0 0 7.0500 0.9083 0.0000 C 0 0 0 0 0 0 0 0 0 7.2292 0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 6.2542 1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 2.6000 -1.8292 0.0000 O 0 0 0 0 0 0 0 0 0 7.6542 1.4625 0.0000 O 0 0 0 0 0 0 0 0 0 3.4667 -5.5250 0.0000 C 0 0 0 0 0 0 0 0 0 4.8667 -5.8417 0.0000 C 0 0 0 0 0 0 0 0 0 3.5292 -4.8917 0.0000 C 0 0 0 0 0 0 0 0 0 8.4417 1.2208 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 5 1 0 0 0 5 7 1 0 0 0 6 3 1 0 0 0 7 3 1 0 0 0 8 1 1 0 0 0 9 4 1 0 0 0 10 1 2 0 0 0 11 1 2 0 0 0 12 4 2 0 0 0 13 6 2 0 0 0 14 6 1 0 0 0 15 9 1 0 0 0 16 2 1 0 0 0 17 8 1 0 0 0 18 8 2 0 0 0 19 16 1 0 0 0 20 19 1 0 0 0 21 22 2 0 0 0 22 18 1 0 0 0 23 17 2 0 0 0 24 14 1 0 0 0 25 21 1 0 0 0 26 15 1 0 0 0 27 15 1 0 0 0 28 15 1 0 0 0 29 25 1 0 0 0 21 23 1 0 0 0 5 20 1 0 0 0 M END > 7.58502665202918 > 6.20901152491119 $$$$ 11280715092D 1 1.00000 0.00000 0 28 30 0 0 0 999 V2000 2.0167 -1.1167 0.0000 S 0 0 3 0 0 0 0 0 0 1.4375 -0.9667 0.0000 N 0 0 0 0 0 0 0 0 0 0.9167 -1.2667 0.0000 C 0 0 3 0 0 0 0 0 0 0.3917 -0.9667 0.0000 C 0 0 0 0 0 0 0 0 0 2.5917 -0.9542 0.0000 C 0 0 0 0 0 0 0 0 0 2.2667 -0.6000 0.0000 O 0 0 0 0 0 0 0 0 0 2.1667 -1.6917 0.0000 O 0 0 0 0 0 0 0 0 0 3.6292 -0.3542 0.0000 C 0 0 0 0 0 0 0 0 0 4.1500 -0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0.9000 -3.0667 0.0000 N 0 0 0 0 0 0 0 0 0 0.3917 -0.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0.9125 -1.8667 0.0000 C 0 0 3 0 0 0 0 0 0 2.5917 -0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 3.1125 -1.2542 0.0000 C 0 0 0 0 0 0 0 0 0 3.6292 -0.9542 0.0000 C 0 0 0 0 0 0 0 0 0 3.1042 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 4.6750 -0.3417 0.0000 C 0 0 0 0 0 0 0 0 0 4.1375 0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1333 -1.2750 0.0000 O 0 0 0 0 0 0 0 0 0 5.1792 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 4.6542 0.8583 0.0000 C 0 0 0 0 0 0 0 0 0 5.1917 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 5.7042 0.8708 0.0000 O 0 0 0 0 0 0 0 0 0 0.3792 -2.7625 0.0000 C 0 0 0 0 0 0 0 0 0 1.4167 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0.3875 -2.1625 0.0000 C 0 0 0 0 0 0 0 0 0 1.4292 -2.1667 0.0000 C 0 0 0 0 0 0 0 0 0 6.2792 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 1 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 15 2 0 0 0 9 8 1 0 0 0 10 25 1 0 0 0 11 4 2 0 0 0 12 3 1 0 0 0 13 5 1 0 0 0 14 5 2 0 0 0 15 14 1 0 0 0 16 13 2 0 0 0 17 9 2 0 0 0 18 9 1 0 0 0 19 4 1 0 0 0 20 21 1 0 0 0 21 18 2 0 0 0 22 17 1 0 0 0 23 20 1 0 0 0 24 26 1 0 0 0 25 27 1 0 0 0 26 12 1 0 0 0 27 12 1 0 0 0 28 23 1 0 0 0 8 16 1 0 0 0 24 10 1 0 0 0 22 20 2 0 0 0 M END > 6.57839607313017 > 5.41005039867429 $$$$ CDK 9/16/09,10:8 32 34 0 0 0 0 0 0 0 0999 V2000 -3.5228 -21.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5142 -22.2834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7988 -22.6900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0876 -22.2728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0962 -21.4488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8117 -21.0337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7944 -23.5139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5051 -23.9333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0752 -23.9226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8161 -20.2099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5353 -19.8011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5397 -18.9730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3883 -20.1982 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.9772 -19.4803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7994 -20.9161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6704 -20.6093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0112 -18.5795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7068 -18.1685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3195 -18.7243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7403 -18.1993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4343 -18.6454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5051 -16.9989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7766 -17.3795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2039 -17.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1682 -18.2668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3645 -23.5058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6481 -23.9129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3701 -22.6819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9346 -17.0626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1056 -19.7906 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2501 -20.2163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1580 -19.3893 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 13 16 2 0 0 0 0 14 32 1 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 32 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 14 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 20 21 2 0 0 0 0 21 25 1 0 0 0 0 5 6 1 0 0 0 0 24 22 1 0 0 0 0 3 7 1 0 0 0 0 22 23 2 0 0 0 0 23 20 1 0 0 0 0 17 20 1 0 0 0 0 24 25 2 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 6 1 6 0 0 0 9 26 1 0 0 0 0 26 27 1 0 0 0 0 10 11 1 0 0 0 0 26 28 1 0 0 0 0 11 12 2 0 0 0 0 24 29 1 0 0 0 0 10 30 1 0 0 0 0 30 13 1 0 0 0 0 11 31 1 0 0 0 0 M END > 8.48148606012211 > 6.16749108729376 $$$$ 11280715442D 1 1.00000 0.00000 0 29 31 0 1 0 999 V2000 -0.9125 0.7583 0.0000 S 0 0 3 0 0 0 0 0 0 -0.9083 1.5750 0.0000 C 0 0 1 0 0 0 0 0 0 -0.1875 1.9833 0.0000 C 0 0 2 0 0 0 0 0 0 0.5167 1.5625 0.0000 C 0 0 0 0 0 0 0 0 0 -0.9125 -0.0667 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7458 0.7625 0.0000 O 0 0 0 0 0 0 0 0 0 -0.0875 0.7583 0.0000 O 0 0 0 0 0 0 0 0 0 0.5125 0.7458 0.0000 O 0 0 0 0 0 0 0 0 0 1.2375 1.9625 0.0000 N 0 0 0 0 0 0 0 0 0 0.3917 2.5708 0.0000 O 0 0 0 0 0 0 0 0 0 -1.6208 1.9875 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1833 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8875 3.2333 0.0000 O 0 0 0 0 0 0 0 0 0 -0.1958 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 -1.6250 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 -0.9125 -2.5417 0.0000 O 0 0 0 0 0 0 0 0 0 -0.9125 -1.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0.5167 -2.5417 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1958 -2.9542 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1958 -1.3042 0.0000 C 0 0 0 0 0 0 0 0 0 -1.6250 -1.3042 0.0000 C 0 0 0 0 0 0 0 0 0 1.9500 -1.7167 0.0000 C 0 0 0 0 0 0 0 0 0 1.9500 1.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0.5125 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 1.2292 -2.9542 0.0000 C 0 0 0 0 0 0 0 0 0 1.2167 -1.3042 0.0000 C 0 0 0 0 0 0 0 0 0 1.9500 -2.5542 0.0000 C 0 0 0 0 0 0 0 0 0 -1.6125 2.8208 0.0000 C 0 0 0 0 0 0 0 0 0 2.6542 -1.3042 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 6 0 0 3 2 1 0 0 0 3 4 1 6 0 0 5 1 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 4 2 0 0 0 9 4 1 0 0 0 3 10 1 1 0 0 11 2 1 0 0 0 12 3 1 0 0 0 13 28 1 0 0 0 14 5 2 0 0 0 15 5 1 0 0 0 16 17 1 0 0 0 17 21 1 0 0 0 18 19 1 0 0 0 19 16 1 0 0 0 20 14 1 0 0 0 21 15 2 0 0 0 22 27 2 0 0 0 23 9 1 0 0 0 24 18 1 0 0 0 25 18 2 0 0 0 26 24 2 0 0 0 27 25 1 0 0 0 28 11 1 0 0 0 29 22 1 0 0 0 20 17 2 0 0 0 12 13 1 0 0 0 26 22 1 0 0 0 M END > 8.88605664769316 > 5.26760624017703 $$$$ 11280715082D 1 1.00000 0.00000 0 32 33 0 0 0 999 V2000 3.5292 -2.6125 0.0000 S 0 0 3 0 0 0 0 0 0 4.3500 -2.5792 0.0000 C 0 0 3 0 0 0 0 0 0 4.7375 -1.8500 0.0000 C 0 0 0 0 0 0 0 0 0 2.7042 -2.6417 0.0000 C 0 0 0 0 0 0 0 0 0 4.3417 -3.4042 0.0000 C 0 0 0 0 0 0 0 0 0 3.5625 -3.4417 0.0000 O 0 0 0 0 0 0 0 0 0 3.4917 -1.7917 0.0000 O 0 0 0 0 0 0 0 0 0 4.2917 -1.1542 0.0000 O 0 0 0 0 0 0 0 0 0 5.5667 -1.8167 0.0000 N 0 0 0 0 0 0 0 0 0 2.3167 -3.3750 0.0000 C 0 0 0 0 0 0 0 0 0 2.2542 -1.9417 0.0000 C 0 0 0 0 0 0 0 0 0 5.1667 -2.5792 0.0000 C 0 0 0 0 0 0 0 0 0 4.9292 -3.9917 0.0000 C 0 0 0 0 0 0 0 0 0 6.8292 -7.9167 0.0000 N 0 0 3 0 0 0 0 0 0 1.0542 -2.7125 0.0000 C 0 0 0 0 0 0 0 0 0 6.0917 -5.1542 0.0000 C 0 0 0 0 0 0 0 0 0 1.4917 -3.4042 0.0000 C 0 0 0 0 0 0 0 0 0 1.4292 -1.9792 0.0000 C 0 0 0 0 0 0 0 0 0 5.9500 -1.0875 0.0000 O 0 0 0 0 0 0 0 0 0 5.7167 -3.7750 0.0000 C 0 0 0 0 0 0 0 0 0 4.7125 -4.7875 0.0000 C 0 0 0 0 0 0 0 0 0 5.2917 -5.3667 0.0000 C 0 0 0 0 0 0 0 0 0 6.3042 -4.3542 0.0000 C 0 0 0 0 0 0 0 0 0 6.6750 -5.7375 0.0000 O 0 0 0 0 0 0 0 0 0 6.4625 -6.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0.2250 -2.7417 0.0000 O 0 0 0 0 0 0 0 0 0 7.0417 -7.1167 0.0000 C 0 0 0 0 0 0 0 0 0 7.4167 -8.5000 0.0000 C 0 0 0 0 0 0 0 0 0 6.0375 -8.1292 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2125 -2.0500 0.0000 C 0 0 0 0 0 0 0 0 0 7.2042 -9.2917 0.0000 C 0 0 0 0 0 0 0 0 0 5.8250 -8.9292 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 1 1 0 0 0 5 2 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 3 2 0 0 0 9 3 1 0 0 0 10 4 1 0 0 0 11 4 2 0 0 0 12 2 1 0 0 0 13 5 1 0 0 0 14 27 1 0 0 0 15 18 2 0 0 0 16 22 2 0 0 0 17 10 2 0 0 0 18 11 1 0 0 0 19 9 1 0 0 0 20 13 1 0 0 0 21 13 2 0 0 0 22 21 1 0 0 0 23 20 2 0 0 0 24 16 1 0 0 0 25 24 1 0 0 0 26 15 1 0 0 0 27 25 1 0 0 0 28 14 1 0 0 0 29 14 1 0 0 0 30 26 1 0 0 0 31 28 1 0 0 0 32 29 1 0 0 0 17 15 1 0 0 0 23 16 1 0 0 0 M END > 7.82390874094432 > 6.49757288001557 $$$$ 11280715132D 1 1.00000 0.00000 0 21 21 0 0 0 999 V2000 4.7292 0.0000 0.0000 S 0 0 3 0 0 0 0 0 0 4.0125 -0.4250 0.0000 N 0 0 3 0 0 0 0 0 0 4.0250 -1.2542 0.0000 C 0 0 0 0 0 0 0 0 0 3.3167 -1.6667 0.0000 C 0 0 0 0 0 0 0 0 0 5.4542 0.4250 0.0000 C 0 0 0 0 0 0 0 0 0 5.1542 -0.7167 0.0000 O 0 0 0 0 0 0 0 0 0 4.3042 0.7208 0.0000 O 0 0 0 0 0 0 0 0 0 8.3125 2.9208 0.0000 C 0 0 0 0 0 0 0 0 0 9.0292 3.3333 0.0000 C 0 0 0 0 0 0 0 0 0 3.3250 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 2.6000 -1.2625 0.0000 N 0 0 0 0 0 0 0 0 0 5.4542 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 6.1667 0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 6.8792 1.2583 0.0000 C 0 0 0 0 0 0 0 0 0 6.8792 0.4250 0.0000 C 0 0 0 0 0 0 0 0 0 6.1667 1.6708 0.0000 C 0 0 0 0 0 0 0 0 0 1.8792 -1.6750 0.0000 O 0 0 0 0 0 0 0 0 0 3.2875 -0.0167 0.0000 C 0 0 0 0 0 0 0 0 0 7.6000 2.5083 0.0000 C 0 0 0 0 0 0 0 0 0 7.6042 1.6750 0.0000 O 0 0 0 0 0 0 0 0 0 9.7542 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 1 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 19 1 0 0 0 9 8 3 0 0 0 10 4 2 0 0 0 11 4 1 0 0 0 12 5 2 0 0 0 13 5 1 0 0 0 14 15 1 0 0 0 15 13 2 0 0 0 16 12 1 0 0 0 17 11 1 0 0 0 18 2 1 0 0 0 19 20 1 0 0 0 20 14 1 0 0 0 21 9 1 0 0 0 16 14 2 0 0 0 M END > 7.76955107862173 > 5.72239078569591 $$$$ 11280715332D 1 1.00000 0.00000 0 26 27 0 1 0 999 V2000 5.9167 -3.4917 0.0000 S 0 0 3 0 0 0 0 0 0 6.2042 -4.2750 0.0000 N 0 0 3 0 0 0 0 0 0 5.6750 -4.9042 0.0000 C 0 0 1 0 0 0 0 0 0 4.8500 -4.8625 0.0000 C 0 0 0 0 0 0 0 0 0 6.9667 -4.5792 0.0000 C 0 0 0 0 0 0 0 0 0 6.1125 -5.6000 0.0000 C 0 0 0 0 0 0 0 0 0 6.6917 -3.2042 0.0000 C 0 0 0 0 0 0 0 0 0 6.9042 -5.4042 0.0000 C 0 0 3 0 0 0 0 0 0 5.6292 -2.7167 0.0000 O 0 0 0 0 0 0 0 0 0 5.1375 -3.7792 0.0000 O 0 0 0 0 0 0 0 0 0 7.5292 -5.9417 0.0000 N 0 0 0 0 0 0 0 0 0 4.4750 -4.1292 0.0000 O 0 0 0 0 0 0 0 0 0 4.3917 -5.5542 0.0000 N 0 0 0 0 0 0 0 0 0 8.3042 -5.6667 0.0000 O 0 0 0 0 0 0 0 0 0 7.3250 -3.7292 0.0000 C 0 0 0 0 0 0 0 0 0 6.8375 -2.3917 0.0000 C 0 0 0 0 0 0 0 0 0 8.9292 -6.2042 0.0000 C 0 0 3 0 0 0 0 0 0 8.2417 -2.6417 0.0000 C 0 0 0 0 0 0 0 0 0 8.0917 -3.4500 0.0000 C 0 0 0 0 0 0 0 0 0 7.6042 -2.1125 0.0000 C 0 0 0 0 0 0 0 0 0 3.5667 -5.5125 0.0000 O 0 0 0 0 0 0 0 0 0 9.0250 -2.3542 0.0000 O 0 0 0 0 0 0 0 0 0 8.3917 -6.8292 0.0000 C 0 0 0 0 0 0 0 0 0 9.4667 -5.5750 0.0000 C 0 0 0 0 0 0 0 0 0 9.5625 -6.7417 0.0000 C 0 0 0 0 0 0 0 0 0 9.6542 -2.8917 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 2 1 0 0 0 3 6 1 6 0 0 7 1 1 0 0 0 8 5 1 0 0 0 9 1 2 0 0 0 10 1 2 0 0 0 8 11 1 0 0 0 12 4 2 0 0 0 13 4 1 0 0 0 14 11 1 0 0 0 15 7 2 0 0 0 16 7 1 0 0 0 17 14 1 0 0 0 18 20 1 0 0 0 19 15 1 0 0 0 20 16 2 0 0 0 21 13 1 0 0 0 22 18 1 0 0 0 23 17 1 0 0 0 24 17 1 0 0 0 25 17 1 0 0 0 26 22 1 0 0 0 18 19 2 0 0 0 8 6 1 0 0 0 M END > 8.52287874528034 > 6.59345981956605 $$$$ 11280715072D 1 1.00000 0.00000 0 26 27 0 0 0 999 V2000 5.1167 -2.7667 0.0000 S 0 0 3 0 0 0 0 0 0 5.8292 -2.3542 0.0000 C 0 0 3 0 0 0 0 0 0 6.5417 -2.7542 0.0000 C 0 0 0 0 0 0 0 0 0 4.2917 -2.8042 0.0000 C 0 0 0 0 0 0 0 0 0 6.5292 -1.1125 0.0000 C 0 0 0 0 0 0 0 0 0 5.7000 -3.3542 0.0000 O 0 0 0 0 0 0 0 0 0 4.5292 -3.3542 0.0000 O 0 0 0 0 0 0 0 0 0 5.1042 -1.9542 0.0000 C 0 0 0 0 0 0 0 0 0 6.5292 -0.2875 0.0000 C 0 0 0 0 0 0 0 0 0 6.5542 -3.5792 0.0000 O 0 0 0 0 0 0 0 0 0 6.5417 -1.9375 0.0000 C 0 0 0 0 0 0 0 0 0 7.2542 -2.3417 0.0000 N 0 0 0 0 0 0 0 0 0 4.3792 0.1000 0.0000 N 0 0 0 0 0 0 0 0 0 3.8500 -2.1042 0.0000 C 0 0 0 0 0 0 0 0 0 3.9042 -3.5292 0.0000 C 0 0 0 0 0 0 0 0 0 5.1042 -1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 2.6417 -2.8667 0.0000 C 0 0 0 0 0 0 0 0 0 3.0792 -3.5667 0.0000 C 0 0 0 0 0 0 0 0 0 3.0167 -2.1417 0.0000 C 0 0 0 0 0 0 0 0 0 7.9750 -2.7417 0.0000 O 0 0 0 0 0 0 0 0 0 1.8167 -2.9042 0.0000 O 0 0 0 0 0 0 0 0 0 4.3875 -0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 5.0917 0.5250 0.0000 C 0 0 0 0 0 0 0 0 0 5.8167 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 1.4292 -3.6375 0.0000 C 0 0 0 0 0 0 0 0 0 5.8167 0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 1 1 0 0 0 5 11 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 2 1 0 0 0 9 5 3 0 0 0 10 3 2 0 0 0 11 2 1 0 0 0 12 3 1 0 0 0 13 22 2 0 0 0 14 4 2 0 0 0 15 4 1 0 0 0 16 8 1 0 0 0 17 18 1 0 0 0 18 15 2 0 0 0 19 14 1 0 0 0 20 12 1 0 0 0 21 17 1 0 0 0 22 16 1 0 0 0 23 26 2 0 0 0 24 16 2 0 0 0 25 21 1 0 0 0 26 24 1 0 0 0 17 19 2 0 0 0 23 13 1 0 0 0 M END > 7.49485002168009 > 6.17263072694618 $$$$ SciTegic11161115462D 33 36 0 0 0 0 999 V2000 6.8576 -3.1255 0.0000 C 0 0 6.1414 -3.5370 0.0000 C 0 0 6.1397 -4.3584 0.0000 C 0 0 6.8524 -4.7747 0.0000 N 0 0 7.5687 -4.3632 0.0000 C 0 0 7.5721 -3.5356 0.0000 C 0 0 7.5721 -2.7128 0.0000 S 0 0 7.9844 -1.9983 0.0000 O 0 0 7.1594 -1.9985 0.0000 O 0 0 8.2867 -3.1252 0.0000 C 0 0 8.2855 -3.9526 0.0000 C 0 0 9.0004 -4.3655 0.0000 C 0 0 9.7170 -3.9522 0.0000 C 0 0 9.7141 -3.1215 0.0000 C 0 0 8.9986 -2.7124 0.0000 C 0 0 10.4321 -4.3635 0.0000 O 0 0 6.1431 -2.7132 0.0000 C 0 0 6.1429 -1.8881 0.0000 O 0 0 5.4286 -3.1258 0.0000 N 0 0 4.7140 -2.7135 0.0000 O 0 0 11.1460 -3.9499 0.0000 C 0 0 11.8578 -4.3617 0.0000 C 0 0 11.8501 -2.7116 0.0000 C 0 0 11.1397 -3.1269 0.0000 C 0 0 6.8495 -5.5997 0.0000 C 0 0 7.5624 -6.0108 0.0000 C 0 0 12.5704 -3.1228 0.0000 C 0 0 12.5741 -3.9449 0.0000 C 0 0 13.3569 -4.1954 0.0000 O 0 0 13.8373 -3.5282 0.0000 C 0 0 13.3509 -2.8654 0.0000 O 0 0 7.5629 -6.8358 0.0000 O 0 0 8.2776 -7.2480 0.0000 C 0 0 7 1 1 0 1 2 1 0 1 17 1 0 1 6 1 0 17 18 2 0 2 3 1 0 17 19 1 0 3 4 1 0 19 20 1 0 10 11 2 0 16 21 1 0 4 5 1 0 21 22 2 0 22 28 1 0 11 12 1 0 27 23 1 0 5 6 1 0 23 24 2 0 24 21 1 0 12 13 2 0 4 25 1 0 8 7 2 0 25 26 1 0 27 28 2 0 13 14 1 0 7 9 2 0 14 15 2 0 15 10 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 27 1 0 13 16 1 0 26 32 1 0 10 7 1 0 32 33 1 0 M END > 9.69897000433602 > 5.61978875828839 $$$$ 11280715442D 1 1.00000 0.00000 0 30 32 0 1 0 999 V2000 0.2000 -0.4000 0.0000 S 0 0 3 0 0 0 0 0 0 0.2000 0.4250 0.0000 N 0 0 3 0 0 0 0 0 0 0.9125 0.8333 0.0000 C 0 0 1 0 0 0 0 0 0 1.6250 0.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0.1917 -1.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0.9125 1.6583 0.0000 C 0 0 1 0 0 0 0 0 0 1.0250 -0.4000 0.0000 O 0 0 0 0 0 0 0 0 0 -0.6250 -0.3917 0.0000 O 0 0 0 0 0 0 0 0 0 2.0292 -0.2917 0.0000 O 0 0 0 0 0 0 0 0 0 2.3375 0.8375 0.0000 N 0 0 0 0 0 0 0 0 0 -0.5083 0.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0.9000 -1.6375 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5250 -1.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0.1667 -3.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0.1750 -2.8667 0.0000 C 0 0 0 0 0 0 0 0 0 1.6250 2.0833 0.0000 O 0 0 0 0 0 0 0 0 0 3.0167 -2.8667 0.0000 C 0 0 0 0 0 0 0 0 0 1.5917 -3.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0.8792 -4.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0.8917 -2.4625 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5333 -2.4500 0.0000 C 0 0 0 0 0 0 0 0 0 3.7292 -2.4542 0.0000 F 0 0 0 0 0 0 0 0 0 3.0500 0.4250 0.0000 O 0 0 0 0 0 0 0 0 0 3.0167 -3.6917 0.0000 C 0 0 0 0 0 0 0 0 0 2.3000 -2.4542 0.0000 C 0 0 0 0 0 0 0 0 0 2.3042 -4.1042 0.0000 C 0 0 0 0 0 0 0 0 0 1.5875 -2.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0.2000 2.0833 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5083 1.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0.9042 2.4833 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 3 4 1 6 0 0 5 1 1 0 0 0 6 3 1 0 0 0 7 1 2 0 0 0 8 1 2 0 0 0 9 4 2 0 0 0 10 4 1 0 0 0 11 2 1 0 0 0 12 5 1 0 0 0 13 5 2 0 0 0 14 15 1 0 0 0 15 21 2 0 0 0 6 16 1 6 0 0 17 25 1 0 0 0 18 19 1 0 0 0 19 14 1 0 0 0 20 12 2 0 0 0 21 13 1 0 0 0 22 17 1 0 0 0 23 10 1 0 0 0 24 26 1 0 0 0 25 27 2 0 0 0 26 18 2 0 0 0 27 18 1 0 0 0 28 29 1 0 0 0 29 11 1 0 0 0 6 30 1 1 0 0 15 20 1 0 0 0 28 6 1 0 0 0 17 24 2 0 0 0 M END > 8.18708664335714 > 5.95860731484178 $$$$ 11280715002D 1 1.00000 0.00000 0 28 29 0 0 0 999 V2000 5.7000 -6.7375 0.0000 S 0 0 3 0 0 0 0 0 0 6.2167 -7.0292 0.0000 C 0 0 0 0 0 0 0 0 0 5.1875 -6.4375 0.0000 N 0 0 3 0 0 0 0 0 0 6.2042 -7.6292 0.0000 C 0 0 0 0 0 0 0 0 0 5.6875 -8.2167 0.0000 N 0 3 0 0 0 0 0 0 0 7.2500 -4.6500 0.0000 N 0 3 0 0 0 0 0 0 0 4.6667 -6.7375 0.0000 C 0 0 0 0 0 0 0 0 0 4.1500 -6.4375 0.0000 C 0 0 0 0 0 0 0 0 0 6.0042 -6.2250 0.0000 O 0 0 0 0 0 0 0 0 0 5.4042 -7.2542 0.0000 O 0 0 0 0 0 0 0 0 0 6.7292 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 5.1167 -8.0542 0.0000 O 0 5 0 0 0 0 0 0 0 7.7625 -4.9500 0.0000 O 0 5 0 0 0 0 0 0 0 5.1875 -5.8417 0.0000 C 0 0 0 0 0 0 0 0 0 5.8375 -8.7917 0.0000 O 0 0 0 0 0 0 0 0 0 7.2500 -4.0542 0.0000 O 0 0 0 0 0 0 0 0 0 3.6417 -6.7375 0.0000 O 0 0 0 0 0 0 0 0 0 4.1500 -5.8417 0.0000 N 0 0 0 0 0 0 0 0 0 6.7292 -5.5417 0.0000 C 0 0 0 0 0 0 0 0 0 6.2042 -4.6500 0.0000 C 0 0 0 0 0 0 0 0 0 5.7000 -5.5417 0.0000 C 0 0 0 0 0 0 0 0 0 6.7292 -6.7375 0.0000 C 0 0 0 0 0 0 0 0 0 6.7292 -7.9292 0.0000 C 0 0 0 0 0 0 0 0 0 6.2167 -5.8417 0.0000 C 0 0 0 0 0 0 0 0 0 5.7000 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 3.6417 -5.5417 0.0000 O 0 0 0 0 0 0 0 0 0 7.2417 -7.0292 0.0000 C 0 0 0 0 0 0 0 0 0 7.2500 -7.6292 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 2 2 0 0 0 5 4 1 0 0 0 6 11 1 0 0 0 7 3 1 0 0 0 8 7 1 0 0 0 9 1 2 0 0 0 10 1 2 0 0 0 11 20 1 0 0 0 12 5 1 0 0 0 13 6 1 0 0 0 14 3 1 0 0 0 15 5 2 0 0 0 16 6 2 0 0 0 17 8 2 0 0 0 18 8 1 0 0 0 19 24 1 0 0 0 20 25 2 0 0 0 21 14 1 0 0 0 22 2 1 0 0 0 23 4 1 0 0 0 24 21 2 0 0 0 25 21 1 0 0 0 26 18 1 0 0 0 27 22 2 0 0 0 28 27 1 0 0 0 23 28 2 0 0 0 19 11 2 0 0 0 M CHG 4 5 1 6 1 12 -1 13 -1 M END > 7.74472749489669 > 7.74472749489669 $$$$ 11280715442D 1 1.00000 0.00000 0 38 41 0 0 0 999 V2000 -0.6833 0.5208 0.0000 S 0 0 3 0 0 0 0 0 0 -0.7083 -0.3000 0.0000 N 0 0 3 0 0 0 0 0 0 -1.3833 -0.7500 0.0000 C 0 0 3 0 0 0 0 0 0 -0.8500 -2.1167 0.0000 N 0 0 3 0 0 0 0 0 0 0.3667 -1.3042 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0458 -2.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0.0792 -0.5417 0.0000 C 0 0 0 0 0 0 0 0 0 -1.4500 -1.5625 0.0000 C 0 0 0 0 0 0 0 0 0 -2.0833 -0.3375 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0958 -2.9000 0.0000 C 0 0 0 0 0 0 0 0 0 2.4000 -2.0042 0.0000 N 0 0 3 0 0 0 0 0 0 -0.6625 1.3458 0.0000 C 0 0 0 0 0 0 0 0 0 1.5792 -2.0042 0.0000 C 0 0 0 0 0 0 0 0 0 1.1792 -1.3042 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5000 0.5583 0.0000 O 0 0 0 0 0 0 0 0 0 0.1292 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0.1667 4.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0.1917 5.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0.3542 -2.7125 0.0000 C 0 0 0 0 0 0 0 0 0 -2.0833 0.4833 0.0000 O 0 0 0 0 0 0 0 0 0 1.1792 -2.7125 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5500 -3.5042 0.0000 O 0 0 0 0 0 0 0 0 0 -2.8000 -0.7375 0.0000 N 0 0 0 0 0 0 0 0 0 0.0667 1.7250 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3458 1.7708 0.0000 C 0 0 0 0 0 0 0 0 0 4.0292 -2.0167 0.0000 O 0 0 0 0 0 0 0 0 0 -0.6000 2.9833 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3250 2.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0.0917 2.5458 0.0000 C 0 0 0 0 0 0 0 0 0 -3.4958 -0.3250 0.0000 O 0 0 0 0 0 0 0 0 0 2.8000 -1.3042 0.0000 C 0 0 0 0 0 0 0 0 0 2.8000 -2.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0.1417 4.1667 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5750 3.7958 0.0000 O 0 0 0 0 0 0 0 0 0 -1.8875 -3.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0.2167 6.6167 0.0000 C 0 0 0 0 0 0 0 0 0 3.6167 -1.3125 0.0000 C 0 0 0 0 0 0 0 0 0 3.6167 -2.7167 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 8 1 0 0 0 5 7 1 0 0 0 6 5 2 0 0 0 7 2 1 0 0 0 8 3 1 0 0 0 9 3 1 0 0 0 10 4 1 0 0 0 11 13 1 0 0 0 12 1 1 0 0 0 13 14 2 0 0 0 14 5 1 0 0 0 15 1 2 0 0 0 16 1 2 0 0 0 17 33 1 0 0 0 18 17 3 0 0 0 19 6 1 0 0 0 20 9 2 0 0 0 21 13 1 0 0 0 22 10 2 0 0 0 23 9 1 0 0 0 24 12 2 0 0 0 25 12 1 0 0 0 26 38 1 0 0 0 27 28 1 0 0 0 28 25 2 0 0 0 29 24 1 0 0 0 30 23 1 0 0 0 31 11 1 0 0 0 32 11 1 0 0 0 33 34 1 0 0 0 34 27 1 0 0 0 35 10 1 0 0 0 36 18 1 0 0 0 37 31 1 0 0 0 38 32 1 0 0 0 29 27 2 0 0 0 4 6 1 0 0 0 19 21 2 0 0 0 37 26 1 0 0 0 M END > 7.48148606012211 > 5.90135627418294 $$$$ 11280715142D 1 1.00000 0.00000 0 24 24 0 1 0 999 V2000 4.6125 -0.2542 0.0000 S 0 0 3 0 0 0 0 0 0 3.8917 -0.6792 0.0000 N 0 0 3 0 0 0 0 0 0 3.9042 -1.5042 0.0000 C 0 0 1 0 0 0 0 0 0 3.1917 -1.9250 0.0000 C 0 0 0 0 0 0 0 0 0 5.3292 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 5.0375 -0.9750 0.0000 O 0 0 0 0 0 0 0 0 0 4.1875 0.4708 0.0000 O 0 0 0 0 0 0 0 0 0 8.1917 2.6625 0.0000 C 0 0 0 0 0 0 0 0 0 8.9125 3.0833 0.0000 C 0 0 0 0 0 0 0 0 0 3.2042 -2.7542 0.0000 O 0 0 0 0 0 0 0 0 0 2.4750 -1.5167 0.0000 N 0 0 0 0 0 0 0 0 0 4.6250 -1.9167 0.0000 C 0 0 3 0 0 0 0 0 0 6.0417 -0.2417 0.0000 C 0 0 0 0 0 0 0 0 0 5.3292 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 3.1667 -0.2667 0.0000 C 0 0 0 0 0 0 0 0 0 6.7625 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 6.7625 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 6.0417 1.4125 0.0000 C 0 0 0 0 0 0 0 0 0 1.7625 -1.9292 0.0000 O 0 0 0 0 0 0 0 0 0 7.4792 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 7.4792 1.4208 0.0000 O 0 0 0 0 0 0 0 0 0 9.6292 3.4958 0.0000 C 0 0 0 0 0 0 0 0 0 4.6250 -2.7417 0.0000 C 0 0 0 0 0 0 0 0 0 5.3375 -1.5042 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 1 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 20 1 0 0 0 9 8 3 0 0 0 10 4 2 0 0 0 11 4 1 0 0 0 3 12 1 6 0 0 13 5 1 0 0 0 14 5 2 0 0 0 15 2 1 0 0 0 16 18 2 0 0 0 17 13 2 0 0 0 18 14 1 0 0 0 19 11 1 0 0 0 20 21 1 0 0 0 21 16 1 0 0 0 22 9 1 0 0 0 23 12 1 0 0 0 24 12 1 0 0 0 16 17 1 0 0 0 M END > 7.42021640338319 > 6.58670023591875 $$$$ 11280715002D 1 1.00000 0.00000 0 29 30 0 0 0 999 V2000 6.0500 -7.6417 0.0000 S 0 0 3 0 0 0 0 0 0 5.5167 -7.3375 0.0000 N 0 0 0 0 0 0 0 0 0 5.5167 -6.7292 0.0000 C 0 0 0 0 0 0 0 0 0 7.0917 -4.6167 0.0000 N 0 3 0 0 0 0 0 0 0 5.0042 -6.4292 0.0000 N 0 0 3 0 0 0 0 0 0 6.5667 -7.9375 0.0000 C 0 0 0 0 0 0 0 0 0 3.9542 -6.4292 0.0000 C 0 0 0 0 0 0 0 0 0 5.7417 -8.1542 0.0000 O 0 0 0 0 0 0 0 0 0 6.3500 -7.1125 0.0000 O 0 0 0 0 0 0 0 0 0 6.5750 -4.9167 0.0000 C 0 0 0 0 0 0 0 0 0 4.4792 -6.7292 0.0000 C 0 0 0 0 0 0 0 0 0 7.6167 -4.9167 0.0000 O 0 5 0 0 0 0 0 0 0 7.0917 -4.0167 0.0000 O 0 0 0 0 0 0 0 0 0 6.0500 -6.4292 0.0000 O 0 0 0 0 0 0 0 0 0 5.0042 -5.8292 0.0000 C 0 0 0 0 0 0 0 0 0 3.4292 -6.7292 0.0000 O 0 0 0 0 0 0 0 0 0 3.9542 -5.8292 0.0000 N 0 0 0 0 0 0 0 0 0 6.5667 -8.5292 0.0000 C 0 0 0 0 0 0 0 0 0 7.0792 -7.6375 0.0000 C 0 0 0 0 0 0 0 0 0 6.5750 -5.5250 0.0000 C 0 0 0 0 0 0 0 0 0 6.0417 -4.6167 0.0000 C 0 0 0 0 0 0 0 0 0 5.5167 -5.5250 0.0000 C 0 0 0 0 0 0 0 0 0 7.6000 -8.5292 0.0000 C 0 0 0 0 0 0 0 0 0 5.5167 -4.9167 0.0000 C 0 0 0 0 0 0 0 0 0 6.0500 -5.8292 0.0000 C 0 0 0 0 0 0 0 0 0 7.6000 -7.9292 0.0000 C 0 0 0 0 0 0 0 0 0 7.0792 -8.8292 0.0000 C 0 0 0 0 0 0 0 0 0 8.1292 -8.8292 0.0000 Cl 0 0 0 0 0 0 0 0 0 3.4292 -5.5250 0.0000 O 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 10 1 0 0 0 5 3 1 0 0 0 6 1 1 0 0 0 7 11 1 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 20 2 0 0 0 11 5 1 0 0 0 12 4 1 0 0 0 13 4 2 0 0 0 14 3 2 0 0 0 15 5 1 0 0 0 16 7 2 0 0 0 17 7 1 0 0 0 18 6 2 0 0 0 19 6 1 0 0 0 20 25 1 0 0 0 21 24 2 0 0 0 22 15 1 0 0 0 23 26 1 0 0 0 24 22 1 0 0 0 25 22 2 0 0 0 26 19 2 0 0 0 27 18 1 0 0 0 28 23 1 0 0 0 29 17 1 0 0 0 27 23 2 0 0 0 21 10 1 0 0 0 M CHG 2 4 1 12 -1 M END > 8.04575749056067 > 8.04575749056067 $$$$ 11280715092D 1 1.00000 0.00000 0 34 36 0 0 0 999 V2000 4.7792 0.6083 0.0000 S 0 0 3 0 0 0 0 0 0 4.2000 0.7583 0.0000 N 0 0 0 0 0 0 0 0 0 3.6542 -1.9417 0.0000 C 0 0 0 0 0 0 0 0 0 3.6792 0.4583 0.0000 C 0 0 3 0 0 0 0 0 0 3.6625 -1.3417 0.0000 N 0 0 3 0 0 0 0 0 0 3.1542 0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 5.3542 0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 5.0292 1.1250 0.0000 O 0 0 0 0 0 0 0 0 0 4.9292 0.0333 0.0000 O 0 0 0 0 0 0 0 0 0 4.1750 -2.2417 0.0000 O 0 0 0 0 0 0 0 0 0 3.6750 -0.1417 0.0000 C 0 0 3 0 0 0 0 0 0 3.1375 -2.2375 0.0000 O 0 0 0 0 0 0 0 0 0 4.1792 -1.0417 0.0000 C 0 0 0 0 0 0 0 0 0 3.1417 -1.0375 0.0000 C 0 0 0 0 0 0 0 0 0 6.3917 1.3708 0.0000 C 0 0 0 0 0 0 0 0 0 6.9125 1.6750 0.0000 C 0 0 0 0 0 0 0 0 0 3.1542 1.3583 0.0000 O 0 0 0 0 0 0 0 0 0 5.8750 0.4708 0.0000 C 0 0 0 0 0 0 0 0 0 5.3542 1.3625 0.0000 C 0 0 0 0 0 0 0 0 0 4.1917 -0.4417 0.0000 C 0 0 0 0 0 0 0 0 0 3.1500 -0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 5.8667 1.6708 0.0000 C 0 0 0 0 0 0 0 0 0 6.3917 0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 6.9000 2.2750 0.0000 C 0 0 0 0 0 0 0 0 0 7.4375 1.3833 0.0000 C 0 0 0 0 0 0 0 0 0 2.6292 0.4500 0.0000 O 0 0 0 0 0 0 0 0 0 7.9417 2.2958 0.0000 C 0 0 0 0 0 0 0 0 0 7.9542 1.6875 0.0000 C 0 0 0 0 0 0 0 0 0 7.4167 2.5833 0.0000 C 0 0 0 0 0 0 0 0 0 8.4667 2.5958 0.0000 O 0 0 0 0 0 0 0 0 0 4.1667 -2.8417 0.0000 C 0 0 3 0 0 0 0 0 0 9.0417 2.4458 0.0000 C 0 0 0 0 0 0 0 0 0 4.6875 -3.1417 0.0000 C 0 0 0 0 0 0 0 0 0 3.6500 -3.1375 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 5 1 0 0 0 4 2 1 0 0 0 5 14 1 0 0 0 6 4 1 0 0 0 7 1 1 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 3 1 0 0 0 11 4 1 0 0 0 12 3 2 0 0 0 13 20 1 0 0 0 14 21 1 0 0 0 15 22 1 0 0 0 16 15 1 0 0 0 17 6 2 0 0 0 18 7 2 0 0 0 19 7 1 0 0 0 20 11 1 0 0 0 21 11 1 0 0 0 22 19 2 0 0 0 23 18 1 0 0 0 24 16 1 0 0 0 25 16 2 0 0 0 26 6 1 0 0 0 27 28 2 0 0 0 28 25 1 0 0 0 29 24 2 0 0 0 30 27 1 0 0 0 31 10 1 0 0 0 32 30 1 0 0 0 33 31 1 0 0 0 34 31 1 0 0 0 23 15 2 0 0 0 13 5 1 0 0 0 27 29 1 0 0 0 M END > 9 > 5.85387196432176 $$$$ 11280715452D 1 1.00000 0.00000 0 30 32 0 1 0 999 V2000 3.1000 -0.3917 0.0000 S 0 0 3 0 0 0 0 0 0 3.1000 0.4333 0.0000 N 0 0 3 0 0 0 0 0 0 3.8125 0.8458 0.0000 C 0 0 1 0 0 0 0 0 0 4.5250 0.4333 0.0000 C 0 0 0 0 0 0 0 0 0 3.0917 -1.2167 0.0000 C 0 0 0 0 0 0 0 0 0 3.8125 1.6708 0.0000 C 0 0 2 0 0 0 0 0 0 3.9250 -0.3917 0.0000 O 0 0 0 0 0 0 0 0 0 2.2750 -0.3875 0.0000 O 0 0 0 0 0 0 0 0 0 4.4917 -3.6875 0.0000 C 0 0 0 0 0 0 0 0 0 5.9042 -3.9042 0.0000 N 0 0 0 0 0 0 0 0 0 5.1375 -4.1917 0.0000 C 0 0 0 0 0 0 0 0 0 4.9292 -0.2792 0.0000 O 0 0 0 0 0 0 0 0 0 5.2375 0.8458 0.0000 N 0 0 0 0 0 0 0 0 0 3.7792 -4.1000 0.0000 C 0 0 0 0 0 0 0 0 0 2.3917 0.8458 0.0000 C 0 0 0 0 0 0 0 0 0 2.3750 -1.6167 0.0000 C 0 0 0 0 0 0 0 0 0 3.8000 -1.6292 0.0000 C 0 0 0 0 0 0 0 0 0 3.0667 -3.6875 0.0000 O 0 0 0 0 0 0 0 0 0 3.0750 -2.8625 0.0000 C 0 0 0 0 0 0 0 0 0 3.8042 2.4958 0.0000 O 0 0 0 0 0 0 0 0 0 3.7917 -2.4542 0.0000 C 0 0 0 0 0 0 0 0 0 2.3667 -2.4417 0.0000 C 0 0 0 0 0 0 0 0 0 5.9500 0.4333 0.0000 O 0 0 0 0 0 0 0 0 0 3.1000 2.0833 0.0000 C 0 0 0 0 0 0 0 0 0 2.3917 1.6708 0.0000 C 0 0 0 0 0 0 0 0 0 4.6042 1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 4.6250 -2.8667 0.0000 C 0 0 0 0 0 0 0 0 0 6.0292 -3.0917 0.0000 C 0 0 0 0 0 0 0 0 0 5.1292 -5.0250 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -2.5750 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 3 4 1 6 0 0 5 1 1 0 0 0 6 3 1 0 0 0 7 1 2 0 0 0 8 1 2 0 0 0 9 14 1 0 0 0 10 11 1 0 0 0 11 9 2 0 0 0 12 4 2 0 0 0 13 4 1 0 0 0 14 18 1 0 0 0 15 2 1 0 0 0 16 5 2 0 0 0 17 5 1 0 0 0 18 19 1 0 0 0 19 21 1 0 0 0 6 20 1 1 0 0 21 17 2 0 0 0 22 16 1 0 0 0 23 13 1 0 0 0 24 25 1 0 0 0 25 15 1 0 0 0 6 26 1 6 0 0 27 9 1 0 0 0 28 30 1 0 0 0 29 11 1 0 0 0 30 27 2 0 0 0 19 22 2 0 0 0 24 6 1 0 0 0 28 10 2 0 0 0 M END > 8.82390874094432 > 5.79588001734407 $$$$ CDK 6/4/10,11:41 20 20 0 0 0 0 0 0 0 0999 V2000 10.7694 2.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7682 1.4018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4831 0.9890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1995 1.4023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1966 2.2328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4813 2.6420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0534 0.9899 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.3393 1.4030 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4625 0.4083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6333 0.4083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6245 0.9910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9104 1.4041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6239 0.1660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9091 -0.2459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3380 -0.2470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9110 2.2291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1956 0.9922 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4814 1.4052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9096 2.6480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6256 2.2382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7 10 2 0 0 0 0 2 3 1 0 0 0 0 8 11 1 0 0 0 0 5 6 2 0 0 0 0 11 12 1 0 0 0 0 6 1 1 0 0 0 0 11 13 1 6 0 0 0 1 2 2 0 0 0 0 13 14 1 0 0 0 0 2 7 1 0 0 0 0 13 15 1 0 0 0 0 3 4 2 0 0 0 0 12 16 2 0 0 0 0 7 8 1 0 0 0 0 12 17 1 0 0 0 0 17 18 1 0 0 0 0 7 9 2 0 0 0 0 5 19 1 0 0 0 0 4 5 1 0 0 0 0 19 20 1 0 0 0 0 M END > 8.76955107862173 > 6.76955107862173 $$$$ SciTegic11161115462D 26 28 0 0 0 0 999 V2000 -2.8304 1.8247 0.0000 C 0 0 -3.5466 1.4133 0.0000 C 0 0 -3.5483 0.5919 0.0000 C 0 0 -2.8356 0.1757 0.0000 O 0 0 -2.1194 0.5871 0.0000 C 0 0 -2.1160 1.4147 0.0000 C 0 0 -2.1160 2.2374 0.0000 S 0 0 -1.7037 2.9519 0.0000 O 0 0 -2.5287 2.9517 0.0000 O 0 0 -1.4014 1.8250 0.0000 C 0 0 -1.4026 0.9977 0.0000 C 0 0 -0.6878 0.5848 0.0000 C 0 0 0.0287 0.9981 0.0000 C 0 0 0.0258 1.8287 0.0000 C 0 0 -0.6896 2.2378 0.0000 C 0 0 0.7438 0.5868 0.0000 O 0 0 -3.5449 2.2370 0.0000 C 0 0 -3.5451 3.0620 0.0000 O 0 0 -4.2593 1.8244 0.0000 N 0 0 -4.9739 2.2367 0.0000 O 0 0 1.4576 1.0004 0.0000 C 0 0 2.1694 0.5886 0.0000 C 0 0 2.8827 1.0015 0.0000 C 0 0 2.8819 1.8274 0.0000 C 0 0 2.1617 2.2386 0.0000 C 0 0 1.4513 1.8233 0.0000 C 0 0 13 14 1 0 7 9 2 0 14 15 2 0 15 10 1 0 13 16 1 0 10 7 1 0 7 1 1 0 1 2 1 0 1 17 1 0 1 6 1 0 17 18 2 0 2 3 1 0 17 19 1 0 3 4 1 0 19 20 1 0 10 11 2 0 16 21 1 0 4 5 1 0 21 22 2 0 11 12 1 0 22 23 1 0 5 6 1 0 23 24 2 0 12 13 2 0 24 25 1 0 8 7 2 0 25 26 2 0 26 21 1 0 M END > 10 > 6.57186520597121 $$$$ 11280714472D 1 1.00000 0.00000 0 39 42 0 0 0 999 V2000 -0.1375 -1.4792 0.0000 S 0 0 3 0 0 0 0 0 0 -1.5625 -3.1292 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8500 -2.7167 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8500 -1.8917 0.0000 N 0 0 3 0 0 0 0 0 0 -0.1333 -3.1292 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5625 -3.9542 0.0000 C 0 0 0 0 0 0 0 0 0 -2.2833 -2.7042 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1333 -3.9542 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8500 -4.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0.5792 -1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5583 -0.7542 0.0000 O 0 0 0 0 0 0 0 0 0 0.2792 -2.2000 0.0000 O 0 0 0 0 0 0 0 0 0 4.1792 0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 4.9000 0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 2.2042 -2.4042 0.0000 N 0 0 3 0 0 0 0 0 0 0.5792 -2.7167 0.0000 C 0 0 3 0 0 0 0 0 0 -2.2750 -1.8667 0.0000 O 0 0 0 0 0 0 0 0 0 -0.8500 -5.2000 0.0000 C 0 0 0 0 0 0 0 0 0 -2.9958 -3.1167 0.0000 N 0 0 0 0 0 0 0 0 0 0.5792 -0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 1.3000 -1.4750 0.0000 C 0 0 0 0 0 0 0 0 0 1.1167 -3.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0.8500 -1.9375 0.0000 C 0 0 0 0 0 0 0 0 0 1.6625 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 1.9292 -3.1875 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5708 -1.4792 0.0000 C 0 0 0 0 0 0 0 0 0 2.0167 -0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 1.2917 0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 2.0167 -1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 -3.7125 -2.7042 0.0000 O 0 0 0 0 0 0 0 0 0 3.4625 -0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 2.7417 0.1833 0.0000 O 0 0 0 0 0 0 0 0 0 3.0250 -2.2542 0.0000 C 0 0 0 0 0 0 0 0 0 5.6167 1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5708 -5.6125 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1375 -5.6125 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1375 -6.4417 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5708 -6.4417 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8500 -6.8542 0.0000 C 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 1 1 0 0 0 5 3 2 0 0 0 6 2 2 0 0 0 7 2 1 0 0 0 8 5 1 0 0 0 9 8 2 0 0 0 10 1 1 0 0 0 11 1 2 0 0 0 12 1 2 0 0 0 13 31 1 0 0 0 14 13 3 0 0 0 15 24 1 0 0 0 16 5 1 0 0 0 17 7 2 0 0 0 18 9 1 0 0 0 19 7 1 0 0 0 20 10 1 0 0 0 21 10 2 0 0 0 22 16 1 0 0 0 23 16 1 0 0 0 24 23 1 0 0 0 25 22 1 0 0 0 26 4 1 0 0 0 27 29 2 0 0 0 28 20 2 0 0 0 29 21 1 0 0 0 30 19 1 0 0 0 31 32 1 0 0 0 32 27 1 0 0 0 33 15 1 0 0 0 34 14 1 0 0 0 35 18 2 0 0 0 36 18 1 0 0 0 37 36 2 0 0 0 38 35 1 0 0 0 39 37 1 0 0 0 27 28 1 0 0 0 6 9 1 0 0 0 15 25 1 0 0 0 38 39 2 0 0 0 M END > 7.32790214206428 > 5.71602071576152 $$$$ 11280715182D 1 1.00000 0.00000 0 36 38 0 0 0 999 V2000 -0.0083 -2.7292 0.0000 S 0 0 3 0 0 0 0 0 0 -0.6083 -2.7250 0.0000 N 0 0 3 0 0 0 0 0 0 -0.9083 -3.2375 0.0000 C 0 0 3 0 0 0 0 0 0 -0.6083 -3.7542 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0083 -2.1292 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0083 -3.3292 0.0000 O 0 0 0 0 0 0 0 0 0 0.5917 -2.7292 0.0000 O 0 0 0 0 0 0 0 0 0 -1.0333 -2.3000 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0333 -3.9125 0.0000 O 0 0 0 0 0 0 0 0 0 -0.7708 -4.3375 0.0000 N 0 0 0 0 0 0 0 0 0 -1.4958 -3.3917 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5208 -1.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0.5167 -1.8292 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0083 -0.3250 0.0000 O 0 0 0 0 0 0 0 0 0 -0.0083 -0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5208 -1.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0.5167 -1.2250 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5333 -0.0250 0.0000 C 0 0 0 0 0 0 0 0 0 -2.3958 -3.9042 0.0000 S 0 0 0 0 0 0 0 0 0 -0.7708 -4.9375 0.0000 O 0 0 0 0 0 0 0 0 0 -3.2833 -4.5750 0.0000 C 0 0 0 0 0 0 0 0 0 -1.6333 -2.2917 0.0000 C 0 0 3 0 0 0 0 0 0 -1.7958 -3.9125 0.0000 C 0 0 0 0 0 0 0 0 0 -2.6958 -4.4250 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5333 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0458 -0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 -3.7083 -4.1417 0.0000 C 0 0 0 0 0 0 0 0 0 -3.4458 -5.1542 0.0000 C 0 0 0 0 0 0 0 0 0 -2.0583 -2.7125 0.0000 C 0 0 0 0 0 0 0 0 0 -2.0583 -1.8667 0.0000 C 0 0 0 0 0 0 0 0 0 -4.0208 -5.3125 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0583 0.8833 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5708 -0.0250 0.0000 C 0 0 0 0 0 0 0 0 0 -4.2958 -4.3000 0.0000 C 0 0 0 0 0 0 0 0 0 -4.4458 -4.8792 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5708 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 1 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 2 1 0 0 0 9 4 2 0 0 0 10 4 1 0 0 0 11 3 1 0 0 0 12 5 1 0 0 0 13 5 2 0 0 0 14 15 1 0 0 0 15 17 2 0 0 0 16 12 2 0 0 0 17 13 1 0 0 0 18 14 1 0 0 0 19 23 1 0 0 0 20 10 1 0 0 0 21 24 1 0 0 0 22 8 1 0 0 0 23 11 1 0 0 0 24 19 1 0 0 0 25 18 2 0 0 0 26 18 1 0 0 0 27 21 2 0 0 0 28 21 1 0 0 0 29 22 1 0 0 0 30 22 1 0 0 0 31 28 2 0 0 0 32 25 1 0 0 0 33 26 2 0 0 0 34 27 1 0 0 0 35 31 1 0 0 0 36 33 1 0 0 0 15 16 1 0 0 0 36 32 2 0 0 0 35 34 2 0 0 0 M END > 8.49485002168009 > 5.83863199776503 $$$$ 11280714502D 1 1.00000 0.00000 0 35 36 0 1 0 999 V2000 5.8292 -2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 6.5625 -1.7667 0.0000 N 0 0 0 0 0 0 0 0 0 3.6917 -1.7500 0.0000 P 0 0 3 0 0 0 0 0 0 5.1167 -1.7500 0.0000 C 0 0 3 0 0 0 0 0 0 7.2792 -2.2167 0.0000 C 0 0 1 0 0 0 0 0 0 7.1125 -3.0167 0.0000 C 0 0 0 0 0 0 0 0 0 4.4042 -2.1625 0.0000 C 0 0 0 0 0 0 0 0 0 8.0750 -1.9625 0.0000 C 0 0 3 0 0 0 0 0 0 3.6792 -0.9250 0.0000 O 0 0 0 0 0 0 0 0 0 5.1167 -0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 5.8292 -2.9750 0.0000 O 0 0 0 0 0 0 0 0 0 6.3167 -3.2667 0.0000 O 0 0 0 0 0 0 0 0 0 2.9667 -2.1667 0.0000 C 0 0 0 0 0 0 0 0 0 7.7125 -3.5792 0.0000 N 0 0 0 0 0 0 0 0 0 3.6792 -2.5625 0.0000 O 0 0 0 0 0 0 0 0 0 2.2542 -1.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0.8292 -0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0.1167 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 1.5417 -0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 1.5417 -2.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0.8292 -1.7542 0.0000 C 0 0 0 0 0 0 0 0 0 2.2542 -0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0.1167 0.3083 0.0000 C 0 0 0 0 0 0 0 0 0 4.7000 -0.2042 0.0000 C 0 0 3 0 0 0 0 0 0 8.1042 -1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 8.7250 -2.4542 0.0000 C 0 0 0 0 0 0 0 0 0 8.7792 -1.5500 0.0000 C 0 0 0 0 0 0 0 0 0 8.5042 -3.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0.8375 0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5958 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 3.8750 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 5.1000 0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5875 1.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0.8375 1.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0.1250 1.9625 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 7 1 0 0 0 4 1 1 0 0 0 5 2 1 0 0 0 6 5 1 0 0 0 7 4 1 0 0 0 5 8 1 6 0 0 9 3 2 0 0 0 4 10 1 0 0 0 11 1 2 0 0 0 12 6 2 0 0 0 13 3 1 0 0 0 14 6 1 0 0 0 15 3 1 0 0 0 16 13 1 0 0 0 17 19 1 0 0 0 18 17 1 0 0 0 19 22 2 0 0 0 20 16 2 0 0 0 21 20 1 0 0 0 22 16 1 0 0 0 23 18 1 0 0 0 24 10 1 0 0 0 25 8 1 0 0 0 26 8 1 0 0 0 27 8 1 0 0 0 28 14 1 0 0 0 29 23 1 0 0 0 30 23 2 0 0 0 31 24 1 0 0 0 32 24 1 0 0 0 33 30 1 0 0 0 34 29 2 0 0 0 35 33 2 0 0 0 17 21 2 0 0 0 34 35 1 0 0 0 M END > 6.74472749489669 > 7.22184874961636 $$$$ 11280715462D 1 1.00000 0.00000 0 32 34 0 1 0 999 V2000 3.0292 -2.0292 0.0000 S 0 0 3 0 0 0 0 0 0 3.0292 -2.8542 0.0000 N 0 0 3 0 0 0 0 0 0 2.3167 -3.2667 0.0000 C 0 0 2 0 0 0 0 0 0 2.3125 -4.0917 0.0000 C 0 0 3 0 0 0 0 0 0 1.6000 -2.8542 0.0000 C 0 0 0 0 0 0 0 0 0 3.7542 -3.2667 0.0000 C 0 0 0 0 0 0 0 0 0 3.0375 -1.2042 0.0000 C 0 0 0 0 0 0 0 0 0 3.8542 -2.0250 0.0000 O 0 0 0 0 0 0 0 0 0 2.2042 -2.0250 0.0000 O 0 0 0 0 0 0 0 0 0 3.0292 -4.5042 0.0000 C 0 0 0 0 0 0 0 0 0 5.2042 1.6708 0.0000 C 0 0 0 0 0 0 0 0 0 4.4875 1.2625 0.0000 C 0 0 0 0 0 0 0 0 0 1.6042 -2.0292 0.0000 O 0 0 0 0 0 0 0 0 0 3.7500 -4.1000 0.0000 C 0 0 1 0 0 0 0 0 0 5.9125 1.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0.8875 -3.2667 0.0000 N 0 0 0 0 0 0 0 0 0 3.7792 1.6833 0.0000 C 0 0 0 0 0 0 0 0 0 2.3292 -0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 3.7542 -0.7917 0.0000 C 0 0 0 0 0 0 0 0 0 4.4792 0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 3.0542 1.2750 0.0000 O 0 0 0 0 0 0 0 0 0 5.9042 0.4250 0.0000 C 0 0 0 0 0 0 0 0 0 3.0542 0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 1.4875 -4.0917 0.0000 C 0 0 0 0 0 0 0 0 0 2.3042 -4.9167 0.0000 C 0 0 0 0 0 0 0 0 0 5.1875 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 3.7625 0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 2.3292 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 6.6167 0.0083 0.0000 F 0 0 0 0 0 0 0 0 0 0.1667 -2.8542 0.0000 O 0 0 0 0 0 0 0 0 0 4.4625 -4.5167 0.0000 O 0 0 0 0 0 0 0 0 0 5.2042 2.4958 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 3 5 1 6 0 0 6 2 1 0 0 0 7 1 1 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 14 1 0 0 0 11 12 1 0 0 0 12 17 1 0 0 0 13 5 2 0 0 0 14 6 1 0 0 0 15 11 2 0 0 0 16 5 1 0 0 0 17 21 1 0 0 0 18 7 2 0 0 0 19 7 1 0 0 0 20 12 2 0 0 0 21 23 1 0 0 0 22 26 2 0 0 0 23 27 1 0 0 0 24 4 1 0 0 0 25 4 1 0 0 0 26 20 1 0 0 0 27 19 2 0 0 0 28 18 1 0 0 0 29 22 1 0 0 0 30 16 1 0 0 0 14 31 1 6 0 0 32 11 1 0 0 0 28 23 2 0 0 0 10 4 1 0 0 0 22 15 1 0 0 0 M END > 8.45593195564972 > 6.59345981956605 $$$$ 11280715202D 1 1.00000 0.00000 0 28 30 0 0 0 999 V2000 -1.5625 1.5625 0.0000 S 0 0 3 0 0 0 0 0 0 -2.9958 1.5750 0.0000 C 0 0 3 0 0 0 0 0 0 -2.2833 1.9875 0.0000 N 0 0 0 0 0 0 0 0 0 -3.7125 1.9875 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8458 1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1375 2.2833 0.0000 O 0 0 0 0 0 0 0 0 0 -1.9875 0.8458 0.0000 O 0 0 0 0 0 0 0 0 0 -3.7125 2.8208 0.0000 O 0 0 0 0 0 0 0 0 0 -4.4250 1.5750 0.0000 N 0 0 0 0 0 0 0 0 0 -3.7208 1.1583 0.0000 C 0 0 0 0 0 0 0 0 0 -2.2833 1.1583 0.0000 C 0 0 0 0 0 0 0 0 0 -3.0000 -0.0875 0.0000 O 0 0 0 0 0 0 0 0 0 -0.1333 1.5500 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8458 0.3083 0.0000 C 0 0 0 0 0 0 0 0 0 1.3042 -0.1042 0.0000 O 0 0 0 0 0 0 0 0 0 0.5875 0.3083 0.0000 C 0 0 0 0 0 0 0 0 0 1.3000 -0.9292 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1333 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0.5875 1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 -4.4250 0.7458 0.0000 O 0 0 0 0 0 0 0 0 0 0.5792 -1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 -3.7208 0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 -2.2833 0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1333 -0.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0.5792 -2.1667 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1375 -2.5792 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8583 -1.3292 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8583 -2.1625 0.0000 C 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 3 1 1 0 0 0 4 2 1 0 0 0 5 1 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 4 2 0 0 0 9 4 1 0 0 0 10 2 1 0 0 0 11 2 1 0 0 0 12 23 1 0 0 0 13 5 1 0 0 0 14 5 2 0 0 0 15 16 1 0 0 0 16 18 2 0 0 0 17 15 1 0 0 0 18 14 1 0 0 0 19 13 2 0 0 0 20 9 1 0 0 0 21 17 1 0 0 0 22 10 1 0 0 0 23 11 1 0 0 0 24 21 2 0 0 0 25 21 1 0 0 0 26 25 2 0 0 0 27 24 1 0 0 0 28 26 1 0 0 0 16 19 1 0 0 0 12 22 1 0 0 0 28 27 2 0 0 0 M END > 8.18708664335714 > 5.26760624017703 $$$$ 11280715092D 1 1.00000 0.00000 0 35 37 0 0 0 999 V2000 6.0542 -2.4542 0.0000 S 0 0 3 0 0 0 0 0 0 5.4750 -2.3000 0.0000 N 0 0 0 0 0 0 0 0 0 4.9542 -2.6042 0.0000 C 0 0 3 0 0 0 0 0 0 4.9375 -4.4000 0.0000 N 0 0 3 0 0 0 0 0 0 4.9375 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 4.4375 -2.3042 0.0000 C 0 0 0 0 0 0 0 0 0 6.6375 -2.2917 0.0000 C 0 0 0 0 0 0 0 0 0 6.3125 -1.9292 0.0000 O 0 0 0 0 0 0 0 0 0 6.2125 -3.0292 0.0000 O 0 0 0 0 0 0 0 0 0 4.9500 -3.2042 0.0000 C 0 0 3 0 0 0 0 0 0 5.4625 -4.1042 0.0000 C 0 0 0 0 0 0 0 0 0 4.4250 -4.0917 0.0000 C 0 0 0 0 0 0 0 0 0 4.4125 -5.2917 0.0000 O 0 0 0 0 0 0 0 0 0 7.6667 -1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 8.1875 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 4.4292 -1.7000 0.0000 O 0 0 0 0 0 0 0 0 0 6.6292 -1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 7.1500 -2.5917 0.0000 C 0 0 0 0 0 0 0 0 0 4.4250 -3.4917 0.0000 C 0 0 0 0 0 0 0 0 0 5.4625 -3.5042 0.0000 C 0 0 0 0 0 0 0 0 0 7.6750 -2.2917 0.0000 C 0 0 0 0 0 0 0 0 0 7.1417 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 8.7125 -1.6792 0.0000 C 0 0 0 0 0 0 0 0 0 8.1750 -0.7792 0.0000 C 0 0 0 0 0 0 0 0 0 5.4500 -5.3000 0.0000 O 0 0 0 0 0 0 0 0 0 3.9125 -2.6042 0.0000 O 0 0 0 0 0 0 0 0 0 9.2250 -0.7667 0.0000 C 0 0 0 0 0 0 0 0 0 9.7417 -0.4625 0.0000 S 0 0 0 0 0 0 0 0 0 8.6917 -0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 9.2292 -1.3667 0.0000 C 0 0 0 0 0 0 0 0 0 7.0000 -4.9917 0.0000 O 0 0 0 0 0 0 0 0 0 10.3250 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 5.9625 -4.9917 0.0000 C 0 0 0 0 0 0 0 0 0 6.4875 -5.2917 0.0000 C 0 0 0 0 0 0 0 0 0 7.5167 -5.2917 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 11 1 0 0 0 5 4 1 0 0 0 6 3 1 0 0 0 7 1 1 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 3 1 0 0 0 11 20 1 0 0 0 12 19 1 0 0 0 13 5 2 0 0 0 14 21 2 0 0 0 15 14 1 0 0 0 16 6 2 0 0 0 17 7 1 0 0 0 18 7 2 0 0 0 19 10 1 0 0 0 20 10 1 0 0 0 21 18 1 0 0 0 22 17 2 0 0 0 23 15 2 0 0 0 24 15 1 0 0 0 25 5 1 0 0 0 26 6 1 0 0 0 27 29 1 0 0 0 28 27 1 0 0 0 29 24 2 0 0 0 30 23 1 0 0 0 31 34 1 0 0 0 32 28 1 0 0 0 33 25 1 0 0 0 34 33 1 0 0 0 35 31 1 0 0 0 22 14 1 0 0 0 12 4 1 0 0 0 30 27 2 0 0 0 M END > 9 > 5.96657624451305 $$$$ 11280714532D 1 1.00000 0.00000 0 34 37 0 0 0 999 V2000 1.4292 1.1333 0.0000 S 0 0 3 0 0 0 0 0 0 1.4417 -0.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0.7292 -0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0.7250 0.7083 0.0000 N 0 0 3 0 0 0 0 0 0 1.4417 -1.3542 0.0000 C 0 0 0 0 0 0 0 0 0 2.7167 -0.9292 0.0000 N 0 0 0 0 0 0 0 0 0 2.2292 -1.6042 0.0000 N 0 0 3 0 0 0 0 0 0 2.2250 -0.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0.0167 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0.7292 -1.7667 0.0000 N 0 0 0 0 0 0 0 0 0 -0.6958 -0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0.0167 -1.3542 0.0000 C 0 0 0 0 0 0 0 0 0 2.1500 1.5333 0.0000 C 0 0 0 0 0 0 0 0 0 1.0167 1.8458 0.0000 O 0 0 0 0 0 0 0 0 0 1.8417 0.4208 0.0000 O 0 0 0 0 0 0 0 0 0 -0.6958 0.7083 0.0000 O 0 0 0 0 0 0 0 0 0 -1.4125 -0.5292 0.0000 N 0 0 0 0 0 0 0 0 0 2.1542 2.3583 0.0000 C 0 0 0 0 0 0 0 0 0 2.8542 1.1083 0.0000 C 0 0 0 0 0 0 0 0 0 4.3000 2.7583 0.0000 O 0 0 0 0 0 0 0 0 0 3.5875 2.3375 0.0000 C 0 0 0 0 0 0 0 0 0 5.0167 2.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0.0042 1.1208 0.0000 C 0 0 0 0 0 0 0 0 0 2.4917 -2.3875 0.0000 C 0 0 0 0 0 0 0 0 0 6.4500 1.5333 0.0000 C 0 0 0 0 0 0 0 0 0 2.4750 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 2.8750 2.7583 0.0000 C 0 0 0 0 0 0 0 0 0 3.5792 1.5125 0.0000 C 0 0 0 0 0 0 0 0 0 7.1667 1.1333 0.0000 Cl 0 0 0 0 0 0 0 0 0 5.7167 2.7708 0.0000 C 0 0 0 0 0 0 0 0 0 5.0167 1.5208 0.0000 C 0 0 0 0 0 0 0 0 0 -2.1250 -0.1167 0.0000 O 0 0 0 0 0 0 0 0 0 5.7375 1.1208 0.0000 C 0 0 0 0 0 0 0 0 0 6.4375 2.3625 0.0000 C 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 1 1 0 0 0 5 2 1 0 0 0 6 8 2 0 0 0 7 5 1 0 0 0 8 2 1 0 0 0 9 3 1 0 0 0 10 12 1 0 0 0 11 9 1 0 0 0 12 9 2 0 0 0 13 1 1 0 0 0 14 1 2 0 0 0 15 1 2 0 0 0 16 11 2 0 0 0 17 11 1 0 0 0 18 13 1 0 0 0 19 13 2 0 0 0 20 21 1 0 0 0 21 28 2 0 0 0 22 20 1 0 0 0 23 4 1 0 0 0 24 7 1 0 0 0 25 33 2 0 0 0 26 8 1 0 0 0 27 18 2 0 0 0 28 19 1 0 0 0 29 25 1 0 0 0 30 22 1 0 0 0 31 22 2 0 0 0 32 17 1 0 0 0 33 31 1 0 0 0 34 30 2 0 0 0 27 21 1 0 0 0 5 10 2 0 0 0 6 7 1 0 0 0 25 34 1 0 0 0 M END > 9 > 6.93554201077308 $$$$ 11280714532D 1 1.00000 0.00000 0 33 36 0 0 0 999 V2000 3.1750 0.6000 0.0000 S 0 0 3 0 0 0 0 0 0 3.1792 -1.0542 0.0000 C 0 0 0 0 0 0 0 0 0 2.4667 -0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 2.4667 0.1833 0.0000 N 0 0 3 0 0 0 0 0 0 3.1875 -1.8792 0.0000 C 0 0 0 0 0 0 0 0 0 4.4542 -1.4625 0.0000 N 0 0 0 0 0 0 0 0 0 3.9750 -2.1292 0.0000 N 0 0 3 0 0 0 0 0 0 3.9667 -0.7917 0.0000 C 0 0 0 0 0 0 0 0 0 1.7542 -1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 2.4667 -2.3000 0.0000 N 0 0 0 0 0 0 0 0 0 1.0417 -0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 1.7542 -1.8875 0.0000 C 0 0 0 0 0 0 0 0 0 3.8917 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 2.7542 1.3208 0.0000 O 0 0 0 0 0 0 0 0 0 3.5792 -0.1125 0.0000 O 0 0 0 0 0 0 0 0 0 1.0417 0.1750 0.0000 O 0 0 0 0 0 0 0 0 0 8.1875 1.0083 0.0000 N 0 0 0 0 0 0 0 0 0 0.3292 -1.0625 0.0000 N 0 0 0 0 0 0 0 0 0 4.6000 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 3.9000 1.8250 0.0000 C 0 0 0 0 0 0 0 0 0 6.0417 2.2250 0.0000 O 0 0 0 0 0 0 0 0 0 6.7542 1.8208 0.0000 C 0 0 0 0 0 0 0 0 0 5.3292 1.8083 0.0000 C 0 0 0 0 0 0 0 0 0 1.7417 0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 4.2292 -2.9167 0.0000 C 0 0 0 0 0 0 0 0 0 4.2167 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 4.6167 2.2333 0.0000 C 0 0 0 0 0 0 0 0 0 5.3167 0.9833 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3833 -0.6500 0.0000 O 0 0 0 0 0 0 0 0 0 6.7625 0.9958 0.0000 C 0 0 0 0 0 0 0 0 0 7.4625 2.2375 0.0000 C 0 0 0 0 0 0 0 0 0 8.1792 1.8333 0.0000 C 0 0 0 0 0 0 0 0 0 7.4792 0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 1 1 0 0 0 5 2 1 0 0 0 6 8 2 0 0 0 7 5 1 0 0 0 8 2 1 0 0 0 9 3 1 0 0 0 10 12 1 0 0 0 11 9 1 0 0 0 12 9 2 0 0 0 13 1 1 0 0 0 14 1 2 0 0 0 15 1 2 0 0 0 16 11 2 0 0 0 17 32 1 0 0 0 18 11 1 0 0 0 19 13 2 0 0 0 20 13 1 0 0 0 21 23 1 0 0 0 22 21 1 0 0 0 23 27 1 0 0 0 24 4 1 0 0 0 25 7 1 0 0 0 26 8 1 0 0 0 27 20 2 0 0 0 28 19 1 0 0 0 29 18 1 0 0 0 30 22 2 0 0 0 31 22 1 0 0 0 32 31 2 0 0 0 33 30 1 0 0 0 23 28 2 0 0 0 5 10 2 0 0 0 6 7 1 0 0 0 17 33 2 0 0 0 M END > 9 > 5.74352279375832 $$$$ 11280715162D 1 1.00000 0.00000 0 38 40 0 0 0 999 V2000 3.6250 -1.5167 0.0000 S 0 0 3 0 0 0 0 0 0 1.4792 -1.1125 0.0000 C 0 0 0 0 0 0 0 0 0 2.9042 -1.1042 0.0000 N 0 0 3 0 0 0 0 0 0 2.1917 -1.5250 0.0000 C 0 0 0 0 0 0 0 0 0 2.1917 -2.3542 0.0000 C 0 0 0 0 0 0 0 0 0 2.9167 -6.0625 0.0000 C 0 0 0 0 0 0 0 0 0 2.9167 -5.2375 0.0000 N 0 0 3 0 0 0 0 0 0 1.4750 -0.2875 0.0000 C 0 0 0 0 0 0 0 0 0 4.3375 -1.9292 0.0000 C 0 0 0 0 0 0 0 0 0 2.9125 -3.5917 0.0000 N 0 0 3 0 0 0 0 0 0 3.6292 -6.4750 0.0000 O 0 0 0 0 0 0 0 0 0 4.3375 -1.1042 0.0000 O 0 0 0 0 0 0 0 0 0 3.6250 -2.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0.7667 -1.5250 0.0000 C 0 0 0 0 0 0 0 0 0 2.9125 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 1.4792 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 2.2042 -6.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0.7667 -2.3542 0.0000 C 0 0 0 0 0 0 0 0 0 3.6292 -4.8167 0.0000 C 0 0 0 0 0 0 0 0 0 2.1917 -4.8250 0.0000 C 0 0 0 0 0 0 0 0 0 2.1917 0.1250 0.0000 O 0 0 0 0 0 0 0 0 0 3.6375 -7.3000 0.0000 C 0 0 3 0 0 0 0 0 0 0.7625 0.1208 0.0000 N 0 0 0 0 0 0 0 0 0 5.0417 -1.5167 0.0000 C 0 0 0 0 0 0 0 0 0 4.3292 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 2.1917 -4.0042 0.0000 C 0 0 0 0 0 0 0 0 0 3.6250 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 2.9042 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0.0500 -2.7625 0.0000 Br 0 0 0 0 0 0 0 0 0 5.7542 -2.7417 0.0000 C 0 0 0 0 0 0 0 0 0 5.7542 -1.9167 0.0000 C 0 0 0 0 0 0 0 0 0 5.0417 -3.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0.7542 0.9458 0.0000 O 0 0 0 0 0 0 0 0 0 6.4667 -3.1542 0.0000 O 0 0 0 0 0 0 0 0 0 4.3500 -7.7042 0.0000 C 0 0 0 0 0 0 0 0 0 2.9167 -7.7125 0.0000 C 0 0 0 0 0 0 0 0 0 3.6292 -8.1250 0.0000 C 0 0 0 0 0 0 0 0 0 7.1792 -2.7375 0.0000 C 0 0 0 0 0 0 0 0 0 2 4 2 0 0 0 3 1 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 6 7 1 0 0 0 7 19 1 0 0 0 8 2 1 0 0 0 9 1 1 0 0 0 10 15 1 0 0 0 11 6 1 0 0 0 12 1 2 0 0 0 13 1 2 0 0 0 14 2 1 0 0 0 15 5 1 0 0 0 16 5 2 0 0 0 17 6 2 0 0 0 18 16 1 0 0 0 19 27 1 0 0 0 20 26 1 0 0 0 21 8 2 0 0 0 22 11 1 0 0 0 23 8 1 0 0 0 24 9 1 0 0 0 25 9 2 0 0 0 26 10 1 0 0 0 27 10 1 0 0 0 28 3 1 0 0 0 29 18 1 0 0 0 30 32 2 0 0 0 31 24 2 0 0 0 32 25 1 0 0 0 33 23 1 0 0 0 34 30 1 0 0 0 35 22 1 0 0 0 36 22 1 0 0 0 37 22 1 0 0 0 38 34 1 0 0 0 30 31 1 0 0 0 18 14 2 0 0 0 7 20 1 0 0 0 M END > 8.22184874961636 > 6.17134010346468 $$$$ 11280714532D 1 1.00000 0.00000 0 34 37 0 0 0 999 V2000 3.8750 -0.8625 0.0000 S 0 0 3 0 0 0 0 0 0 3.1667 -1.2792 0.0000 N 0 0 3 0 0 0 0 0 0 3.1667 -2.1042 0.0000 C 0 0 0 0 0 0 0 0 0 2.4542 -2.5250 0.0000 C 0 0 0 0 0 0 0 0 0 3.8875 -2.5167 0.0000 C 0 0 0 0 0 0 0 0 0 1.7417 -2.1125 0.0000 C 0 0 0 0 0 0 0 0 0 3.1667 -3.7625 0.0000 N 0 0 0 0 0 0 0 0 0 2.4542 -3.3500 0.0000 C 0 0 0 0 0 0 0 0 0 4.5917 -0.4542 0.0000 C 0 0 0 0 0 0 0 0 0 4.2792 -1.5750 0.0000 O 0 0 0 0 0 0 0 0 0 3.4542 -0.1417 0.0000 O 0 0 0 0 0 0 0 0 0 3.8875 -3.3417 0.0000 C 0 0 0 0 0 0 0 0 0 2.4417 -0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 4.5917 -2.1042 0.0000 C 0 0 0 0 0 0 0 0 0 1.7417 -1.2875 0.0000 O 0 0 0 0 0 0 0 0 0 1.0292 -2.5250 0.0000 N 0 0 0 0 0 0 0 0 0 5.3000 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 4.6000 0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 4.6042 -3.7542 0.0000 C 0 0 0 0 0 0 0 0 0 5.3125 -2.5125 0.0000 C 0 0 0 0 0 0 0 0 0 6.0292 0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 2.4417 -0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 5.3167 -3.3417 0.0000 C 0 0 0 0 0 0 0 0 0 5.3167 0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 6.0167 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 6.0250 -2.0917 0.0000 Br 0 0 0 0 0 0 0 0 0 1.0292 -3.3500 0.0000 O 0 0 0 0 0 0 0 0 0 6.7500 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 1.7250 0.3583 0.0000 C 0 0 0 0 0 0 0 0 0 3.1542 0.3708 0.0000 C 0 0 0 0 0 0 0 0 0 7.4542 0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 1.7167 1.1750 0.0000 C 0 0 0 0 0 0 0 0 0 3.1500 1.1875 0.0000 C 0 0 0 0 0 0 0 0 0 2.4292 1.5958 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 3 2 0 0 0 6 4 1 0 0 0 7 12 2 0 0 0 8 4 2 0 0 0 9 1 1 0 0 0 10 1 2 0 0 0 11 1 2 0 0 0 12 5 1 0 0 0 13 2 1 0 0 0 14 5 1 0 0 0 15 6 2 0 0 0 16 6 1 0 0 0 17 9 2 0 0 0 18 9 1 0 0 0 19 12 1 0 0 0 20 14 2 0 0 0 21 24 1 0 0 0 22 13 1 0 0 0 23 20 1 0 0 0 24 18 2 0 0 0 25 17 1 0 0 0 26 20 1 0 0 0 27 16 1 0 0 0 28 21 1 0 0 0 29 22 1 0 0 0 30 22 2 0 0 0 31 28 1 0 0 0 32 29 2 0 0 0 33 30 1 0 0 0 34 33 2 0 0 0 21 25 2 0 0 0 7 8 1 0 0 0 34 32 1 0 0 0 23 19 2 0 0 0 M END > 8.22184874961636 > 6.96657624451305 $$$$ 11280715122D 1 1.00000 0.00000 0 31 33 0 0 0 999 V2000 5.2292 -0.7667 0.0000 S 0 0 3 0 0 0 0 0 0 5.4125 -1.5792 0.0000 N 0 0 3 0 0 0 0 0 0 4.7667 -2.0875 0.0000 C 0 0 3 0 0 0 0 0 0 5.2292 -4.2292 0.0000 C 0 0 0 0 0 0 0 0 0 5.4125 -3.4292 0.0000 N 0 0 3 0 0 0 0 0 0 4.0250 -1.7250 0.0000 C 0 0 0 0 0 0 0 0 0 4.7667 -2.9167 0.0000 C 0 0 0 0 0 0 0 0 0 5.8375 -0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 4.4417 -4.4750 0.0000 N 0 0 0 0 0 0 0 0 0 4.4292 -0.5542 0.0000 O 0 0 0 0 0 0 0 0 0 6.0292 -0.9792 0.0000 O 0 0 0 0 0 0 0 0 0 5.8375 -4.7917 0.0000 O 0 0 0 0 0 0 0 0 0 3.9667 -0.9042 0.0000 O 0 0 0 0 0 0 0 0 0 3.3417 -2.1875 0.0000 N 0 0 0 0 0 0 0 0 0 6.2167 -1.7625 0.0000 C 0 0 0 0 0 0 0 0 0 6.6250 -0.4542 0.0000 C 0 0 0 0 0 0 0 0 0 5.6542 0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 6.5667 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 6.2167 -3.2417 0.0000 C 0 0 0 0 0 0 0 0 0 4.2542 -5.2792 0.0000 C 0 0 0 0 0 0 0 0 0 7.0500 0.9083 0.0000 C 0 0 0 0 0 0 0 0 0 7.2292 0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 6.2542 1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 2.6000 -1.8292 0.0000 O 0 0 0 0 0 0 0 0 0 7.6542 1.4625 0.0000 O 0 0 0 0 0 0 0 0 0 3.4750 -5.5167 0.0000 C 0 0 0 0 0 0 0 0 0 4.8667 -5.8292 0.0000 C 0 0 0 0 0 0 0 0 0 8.4417 1.2208 0.0000 C 0 0 0 0 0 0 0 0 0 4.6875 -6.6375 0.0000 C 0 0 0 0 0 0 0 0 0 3.2917 -6.3250 0.0000 C 0 0 0 0 0 0 0 0 0 3.8917 -6.8875 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 5 1 0 0 0 5 7 1 0 0 0 6 3 1 0 0 0 7 3 1 0 0 0 8 1 1 0 0 0 9 4 1 0 0 0 10 1 2 0 0 0 11 1 2 0 0 0 12 4 2 0 0 0 13 6 2 0 0 0 14 6 1 0 0 0 15 2 1 0 0 0 16 8 2 0 0 0 17 8 1 0 0 0 18 15 1 0 0 0 19 18 1 0 0 0 20 9 1 0 0 0 21 23 1 0 0 0 22 16 1 0 0 0 23 17 2 0 0 0 24 14 1 0 0 0 25 21 1 0 0 0 26 20 2 0 0 0 27 20 1 0 0 0 28 25 1 0 0 0 29 27 2 0 0 0 30 26 1 0 0 0 31 29 1 0 0 0 21 22 2 0 0 0 5 19 1 0 0 0 31 30 2 0 0 0 M END > 7.76955107862173 > 6.51004152057517 $$$$ 11280715462D 1 1.00000 0.00000 0 31 33 0 1 0 999 V2000 3.7375 -2.2292 0.0000 S 0 0 3 0 0 0 0 0 0 3.7375 -3.0542 0.0000 N 0 0 3 0 0 0 0 0 0 3.0167 -3.4667 0.0000 C 0 0 2 0 0 0 0 0 0 3.0167 -4.2917 0.0000 C 0 0 3 0 0 0 0 0 0 2.3042 -3.0542 0.0000 C 0 0 0 0 0 0 0 0 0 4.4542 -3.4667 0.0000 C 0 0 0 0 0 0 0 0 0 3.7417 -1.4042 0.0000 C 0 0 0 0 0 0 0 0 0 4.5625 -2.2250 0.0000 O 0 0 0 0 0 0 0 0 0 2.9125 -2.2250 0.0000 O 0 0 0 0 0 0 0 0 0 3.7292 -4.7125 0.0000 C 0 0 0 0 0 0 0 0 0 2.3042 -2.2292 0.0000 O 0 0 0 0 0 0 0 0 0 4.4542 -4.3000 0.0000 C 0 0 1 0 0 0 0 0 0 1.5917 -3.4667 0.0000 N 0 0 0 0 0 0 0 0 0 3.0292 -0.9875 0.0000 C 0 0 0 0 0 0 0 0 0 4.4542 -0.9917 0.0000 C 0 0 0 0 0 0 0 0 0 3.7625 1.0750 0.0000 O 0 0 0 0 0 0 0 0 0 3.7542 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 6.6125 0.2250 0.0000 C 0 0 0 0 0 0 0 0 0 5.1917 1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 2.1917 -4.2917 0.0000 C 0 0 0 0 0 0 0 0 0 3.0125 -5.1167 0.0000 C 0 0 0 0 0 0 0 0 0 4.4792 1.4833 0.0000 C 0 0 0 0 0 0 0 0 0 4.4667 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 3.0375 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 7.3250 -0.1917 0.0000 Br 0 0 0 0 0 0 0 0 0 0.8750 -3.0542 0.0000 O 0 0 0 0 0 0 0 0 0 5.1667 -4.7167 0.0000 O 0 0 0 0 0 0 0 0 0 6.6167 1.0583 0.0000 C 0 0 0 0 0 0 0 0 0 5.8917 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 5.9042 1.4708 0.0000 C 0 0 0 0 0 0 0 0 0 5.1792 0.2375 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 3 5 1 6 0 0 6 2 1 0 0 0 7 1 1 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 12 1 0 0 0 11 5 2 0 0 0 12 6 1 0 0 0 13 5 1 0 0 0 14 7 2 0 0 0 15 7 1 0 0 0 16 17 1 0 0 0 17 23 1 0 0 0 18 29 2 0 0 0 19 22 1 0 0 0 20 4 1 0 0 0 21 4 1 0 0 0 22 16 1 0 0 0 23 15 2 0 0 0 24 14 1 0 0 0 25 18 1 0 0 0 26 13 1 0 0 0 12 27 1 6 0 0 28 30 2 0 0 0 29 31 1 0 0 0 30 19 1 0 0 0 31 19 2 0 0 0 24 17 2 0 0 0 10 4 1 0 0 0 18 28 1 0 0 0 M END > 8.85387196432176 > 7 $$$$ Mrv0541 04051115152D 28 30 0 0 0 0 999 V2000 -1.5976 -2.6175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3120 -3.0300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0265 -2.6175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0265 -1.7925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3120 -1.3800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5976 -1.7925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3120 -0.5550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5976 -0.1425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5976 0.6825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8831 1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1686 0.6825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1686 -0.1425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8831 -0.5550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5459 1.0950 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.1334 1.8095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9584 0.3805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2603 1.5075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9748 1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7873 0.9517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0694 0.1765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5391 -0.4555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7267 -0.3122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4445 0.4630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2570 1.8702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7267 2.5022 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0694 2.0135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0088 3.2775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3120 -3.8550 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 8 7 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 12 13 2 0 0 0 0 15 14 2 0 0 0 0 16 14 2 0 0 0 0 17 14 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 1 0 0 0 0 18 24 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 22 21 1 0 0 0 0 22 23 1 0 0 0 0 24 25 1 0 0 0 0 24 26 2 0 0 0 0 25 27 1 0 0 0 0 M END > 9.55284196865778 > 6.63264407897398 $$$$ 11280715082D 1 1.00000 0.00000 0 29 31 0 0 0 999 V2000 9.7292 -3.6792 0.0000 C 0 0 3 0 0 0 0 0 0 9.0167 -4.0917 0.0000 S 0 0 3 0 0 0 0 0 0 10.4542 -4.0792 0.0000 C 0 0 0 0 0 0 0 0 0 9.0250 -3.2667 0.0000 C 0 0 0 0 0 0 0 0 0 10.4417 -3.2667 0.0000 C 0 0 0 0 0 0 0 0 0 8.3042 -3.6792 0.0000 C 0 0 0 0 0 0 0 0 0 9.7292 -2.0292 0.0000 N 0 0 3 0 0 0 0 0 0 9.6042 -4.6792 0.0000 O 0 0 0 0 0 0 0 0 0 8.4292 -4.6792 0.0000 O 0 0 0 0 0 0 0 0 0 10.4667 -4.9042 0.0000 O 0 0 0 0 0 0 0 0 0 11.1625 -3.6542 0.0000 N 0 0 0 0 0 0 0 0 0 9.0250 -2.4417 0.0000 C 0 0 0 0 0 0 0 0 0 10.4417 -2.4417 0.0000 C 0 0 0 0 0 0 0 0 0 7.5875 -4.0917 0.0000 C 0 0 0 0 0 0 0 0 0 8.3042 -2.8542 0.0000 C 0 0 0 0 0 0 0 0 0 9.7292 -1.2042 0.0000 C 0 0 0 0 0 0 0 0 0 6.8750 -2.8542 0.0000 C 0 0 0 0 0 0 0 0 0 7.5875 -2.4417 0.0000 C 0 0 0 0 0 0 0 0 0 6.8750 -3.6792 0.0000 C 0 0 0 0 0 0 0 0 0 9.0167 -0.7917 0.0000 C 0 0 0 0 0 0 0 0 0 11.8792 -4.0542 0.0000 O 0 0 0 0 0 0 0 0 0 9.0167 0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 6.1542 -2.4417 0.0000 O 0 0 0 0 0 0 0 0 0 8.3042 0.4583 0.0000 C 0 0 0 0 0 0 0 0 0 9.7292 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 5.4417 -2.8542 0.0000 C 0 0 0 0 0 0 0 0 0 8.3042 1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 9.7292 1.2750 0.0000 C 0 0 0 0 0 0 0 0 0 9.0167 1.6875 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 1 1 0 0 0 5 1 1 0 0 0 6 2 1 0 0 0 7 13 1 0 0 0 8 2 2 0 0 0 9 2 2 0 0 0 10 3 2 0 0 0 11 3 1 0 0 0 12 4 1 0 0 0 13 5 1 0 0 0 14 6 2 0 0 0 15 6 1 0 0 0 16 7 1 0 0 0 17 18 1 0 0 0 18 15 2 0 0 0 19 14 1 0 0 0 20 16 1 0 0 0 21 11 1 0 0 0 22 20 1 0 0 0 23 17 1 0 0 0 24 22 2 0 0 0 25 22 1 0 0 0 26 23 1 0 0 0 27 24 1 0 0 0 28 25 2 0 0 0 29 28 1 0 0 0 12 7 1 0 0 0 17 19 2 0 0 0 27 29 2 0 0 0 M END > 8.04575749056067 > 5.88272870434424 $$$$ 11280715432D 1 1.00000 0.00000 0 32 33 0 0 0 999 V2000 -0.9458 1.5458 0.0000 S 0 0 3 0 0 0 0 0 0 -0.9583 0.7208 0.0000 N 0 0 3 0 0 0 0 0 0 -1.7000 0.3708 0.0000 C 0 0 3 0 0 0 0 0 0 -0.2000 -1.8417 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5583 -1.1000 0.0000 N 0 0 3 0 0 0 0 0 0 -2.3458 0.8958 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2000 0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 -1.8958 -0.4417 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1208 1.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0.6167 -1.9167 0.0000 O 0 0 0 0 0 0 0 0 0 -1.7833 1.5458 0.0000 O 0 0 0 0 0 0 0 0 0 -0.9458 2.3750 0.0000 O 0 0 0 0 0 0 0 0 0 2.3750 0.1083 0.0000 C 0 0 0 0 0 0 0 0 0 2.7792 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0250 -0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3833 -1.0917 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6708 -2.5250 0.0000 O 0 0 0 0 0 0 0 0 0 -2.3458 1.7208 0.0000 O 0 0 0 0 0 0 0 0 0 -3.0958 0.5375 0.0000 N 0 0 0 0 0 0 0 0 0 0.9750 -2.6625 0.0000 C 0 0 3 0 0 0 0 0 0 0.3000 2.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0.3000 0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 1.5417 1.5458 0.0000 C 0 0 0 0 0 0 0 0 0 1.1167 2.2708 0.0000 C 0 0 0 0 0 0 0 0 0 1.1167 0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 -3.7708 1.0083 0.0000 O 0 0 0 0 0 0 0 0 0 2.7792 0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 2.3750 1.5458 0.0000 O 0 0 0 0 0 0 0 0 0 3.2000 -1.3292 0.0000 C 0 0 0 0 0 0 0 0 0 1.3792 -3.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0.2417 -3.0417 0.0000 C 0 0 0 0 0 0 0 0 0 1.7042 -2.2875 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 5 1 0 0 0 5 15 1 0 0 0 6 3 1 0 0 0 7 2 1 0 0 0 8 3 1 0 0 0 9 1 1 0 0 0 10 4 1 0 0 0 11 1 2 0 0 0 12 1 2 0 0 0 13 27 1 0 0 0 14 13 3 0 0 0 15 7 1 0 0 0 16 8 1 0 0 0 17 4 2 0 0 0 18 6 2 0 0 0 19 6 1 0 0 0 20 10 1 0 0 0 21 9 1 0 0 0 22 9 2 0 0 0 23 25 2 0 0 0 24 21 2 0 0 0 25 22 1 0 0 0 26 19 1 0 0 0 27 28 1 0 0 0 28 23 1 0 0 0 29 14 1 0 0 0 30 20 1 0 0 0 31 20 1 0 0 0 32 20 1 0 0 0 23 24 1 0 0 0 5 16 1 0 0 0 M END > 8.30102999566398 > 7.03621217265444 $$$$ 11280715192D 1 1.00000 0.00000 0 35 37 0 1 0 999 V2000 1.7542 -1.2625 0.0000 S 0 0 3 0 0 0 0 0 0 1.7542 -0.4375 0.0000 N 0 0 3 0 0 0 0 0 0 2.4667 -0.0167 0.0000 C 0 0 2 0 0 0 0 0 0 1.7417 1.2208 0.0000 N 0 0 3 0 0 0 0 0 0 2.4625 0.8083 0.0000 C 0 0 1 0 0 0 0 0 0 3.1792 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 3.9000 -5.8042 0.0000 C 0 0 3 0 0 0 0 0 0 1.0292 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 1.7375 2.0458 0.0000 C 0 0 0 0 0 0 0 0 0 1.0250 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 1.7625 -2.0875 0.0000 C 0 0 0 0 0 0 0 0 0 3.9000 -4.9792 0.0000 C 0 0 0 0 0 0 0 0 0 2.4750 -0.8500 0.0000 O 0 0 0 0 0 0 0 0 0 1.0417 -0.8542 0.0000 O 0 0 0 0 0 0 0 0 0 3.1917 -1.2417 0.0000 O 0 0 0 0 0 0 0 0 0 3.1917 -4.5625 0.0000 C 0 0 0 0 0 0 0 0 0 2.4417 2.4625 0.0000 O 0 0 0 0 0 0 0 0 0 3.9000 -0.0042 0.0000 N 0 0 0 0 0 0 0 0 0 2.4750 -4.9750 0.0000 C 0 0 0 0 0 0 0 0 0 3.9000 -6.5542 0.0000 F 0 0 0 0 0 0 0 0 0 3.2292 -6.3500 0.0000 F 0 0 0 0 0 0 0 0 0 4.5667 -6.3500 0.0000 F 0 0 0 0 0 0 0 0 0 1.0500 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 2.4792 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 1.7625 -4.5625 0.0000 O 0 0 0 0 0 0 0 0 0 1.7625 -3.7417 0.0000 C 0 0 0 0 0 0 0 0 0 3.1750 1.2250 0.0000 C 0 0 0 0 0 0 0 0 0 2.4792 -3.3292 0.0000 C 0 0 0 0 0 0 0 0 0 1.0500 -3.3292 0.0000 C 0 0 0 0 0 0 0 0 0 4.6167 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 1.0167 2.4583 0.0000 C 0 0 0 0 0 0 0 0 0 4.6167 -4.5667 0.0000 C 0 0 0 0 0 0 0 0 0 3.1875 -3.7417 0.0000 C 0 0 0 0 0 0 0 0 0 4.6167 -3.7417 0.0000 C 0 0 0 0 0 0 0 0 0 3.8917 -3.3292 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 10 1 0 0 0 5 3 1 0 0 0 3 6 1 6 0 0 7 12 1 0 0 0 8 2 1 0 0 0 9 4 1 0 0 0 10 8 1 0 0 0 11 1 1 0 0 0 12 16 2 0 0 0 13 1 2 0 0 0 14 1 2 0 0 0 15 6 2 0 0 0 16 19 1 0 0 0 17 9 2 0 0 0 18 6 1 0 0 0 19 25 1 0 0 0 20 7 1 0 0 0 21 7 1 0 0 0 22 7 1 0 0 0 23 11 1 0 0 0 24 11 2 0 0 0 25 26 1 0 0 0 26 28 2 0 0 0 5 27 1 1 0 0 28 24 1 0 0 0 29 23 2 0 0 0 30 18 1 0 0 0 31 9 1 0 0 0 32 12 1 0 0 0 33 16 1 0 0 0 34 35 1 0 0 0 35 33 2 0 0 0 29 26 1 0 0 0 5 4 1 0 0 0 32 34 2 0 0 0 M END > 6.89619627904404 > 5 $$$$ 11280715082D 1 1.00000 0.00000 0 33 35 0 0 0 999 V2000 4.4292 -1.6167 0.0000 S 0 0 3 0 0 0 0 0 0 5.2542 -1.5875 0.0000 C 0 0 3 0 0 0 0 0 0 5.6417 -0.8542 0.0000 C 0 0 0 0 0 0 0 0 0 3.6042 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 5.2500 -2.4125 0.0000 C 0 0 0 0 0 0 0 0 0 4.4667 -2.4417 0.0000 O 0 0 0 0 0 0 0 0 0 4.4000 -0.7917 0.0000 O 0 0 0 0 0 0 0 0 0 7.7375 -6.9167 0.0000 N 0 0 3 0 0 0 0 0 0 5.2000 -0.1542 0.0000 O 0 0 0 0 0 0 0 0 0 6.4667 -0.8167 0.0000 N 0 0 0 0 0 0 0 0 0 3.1667 -0.9500 0.0000 C 0 0 0 0 0 0 0 0 0 3.2250 -2.3792 0.0000 C 0 0 0 0 0 0 0 0 0 7.3042 -8.5042 0.0000 O 0 0 0 0 0 0 0 0 0 6.0750 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 5.8292 -2.9917 0.0000 C 0 0 0 0 0 0 0 0 0 1.9542 -1.7167 0.0000 C 0 0 0 0 0 0 0 0 0 6.9917 -4.1625 0.0000 C 0 0 0 0 0 0 0 0 0 2.3375 -0.9875 0.0000 C 0 0 0 0 0 0 0 0 0 2.4000 -2.4125 0.0000 C 0 0 0 0 0 0 0 0 0 6.8542 -0.0917 0.0000 O 0 0 0 0 0 0 0 0 0 5.6167 -3.7917 0.0000 C 0 0 0 0 0 0 0 0 0 6.6250 -2.7792 0.0000 C 0 0 0 0 0 0 0 0 0 7.2042 -3.3542 0.0000 C 0 0 0 0 0 0 0 0 0 6.1917 -4.3750 0.0000 C 0 0 0 0 0 0 0 0 0 7.5792 -4.7417 0.0000 O 0 0 0 0 0 0 0 0 0 7.9500 -6.1250 0.0000 C 0 0 0 0 0 0 0 0 0 7.3667 -5.5417 0.0000 C 0 0 0 0 0 0 0 0 0 1.1292 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 6.9417 -7.1292 0.0000 C 0 0 0 0 0 0 0 0 0 8.3250 -7.4917 0.0000 C 0 0 0 0 0 0 0 0 0 8.1042 -8.2917 0.0000 C 0 0 0 0 0 0 0 0 0 6.7292 -7.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0.6917 -1.0542 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 1 1 0 0 0 5 2 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 26 1 0 0 0 9 3 2 0 0 0 10 3 1 0 0 0 11 4 2 0 0 0 12 4 1 0 0 0 13 31 1 0 0 0 14 2 1 0 0 0 15 5 1 0 0 0 16 19 1 0 0 0 17 23 1 0 0 0 18 11 1 0 0 0 19 12 2 0 0 0 20 10 1 0 0 0 21 15 2 0 0 0 22 15 1 0 0 0 23 22 2 0 0 0 24 21 1 0 0 0 25 17 1 0 0 0 26 27 1 0 0 0 27 25 1 0 0 0 28 16 1 0 0 0 29 8 1 0 0 0 30 8 1 0 0 0 31 30 1 0 0 0 32 29 1 0 0 0 33 28 1 0 0 0 16 18 2 0 0 0 24 17 2 0 0 0 32 13 1 0 0 0 M END > 7.50863830616573 > 6.3840499483436 $$$$ 11280715242D 1 1.00000 0.00000 0 31 32 0 0 0 999 V2000 4.8750 -1.2875 0.0000 S 0 0 3 0 0 0 0 0 0 4.8750 -1.8875 0.0000 N 0 0 3 0 0 0 0 0 0 4.3625 -2.1875 0.0000 C 0 0 3 0 0 0 0 0 0 4.8750 -3.0875 0.0000 N 0 0 3 0 0 0 0 0 0 4.8750 -3.6875 0.0000 C 0 0 0 0 0 0 0 0 0 4.3625 -2.7875 0.0000 C 0 0 0 0 0 0 0 0 0 3.8417 -1.8875 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -2.1875 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 4.3250 -0.9000 0.0000 O 0 0 0 0 0 0 0 0 0 5.5875 -1.7000 0.0000 O 0 0 0 0 0 0 0 0 0 5.3917 -2.7875 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -3.9875 0.0000 N 0 0 3 0 0 0 0 0 0 4.3542 -3.9792 0.0000 O 0 0 0 0 0 0 0 0 0 3.8375 -1.2875 0.0000 O 0 0 0 0 0 0 0 0 0 3.3167 -2.1875 0.0000 N 0 0 0 0 0 0 0 0 0 5.9125 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -0.3875 0.0000 C 0 0 0 0 0 0 0 0 0 6.4292 -0.3792 0.0000 C 0 0 0 0 0 0 0 0 0 5.9042 -0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 6.4292 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 6.9500 -0.0792 0.0000 Br 0 0 0 0 0 0 0 0 0 2.8000 -1.8875 0.0000 O 0 0 0 0 0 0 0 0 0 6.9542 -3.6917 0.0000 O 0 0 0 0 0 0 0 0 0 5.9042 -5.4875 0.0000 O 0 0 0 0 0 0 0 0 0 5.9125 -3.6875 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -4.5875 0.0000 C 0 0 0 0 0 0 0 0 0 5.9042 -4.8875 0.0000 C 0 0 0 0 0 0 0 0 0 6.4292 -3.9917 0.0000 C 0 0 0 0 0 0 0 0 0 7.4667 -3.9917 0.0000 C 0 0 0 0 0 0 0 0 0 5.3792 -5.7792 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 12 1 0 0 0 5 4 1 0 0 0 6 3 1 0 0 0 7 3 1 0 0 0 8 2 1 0 0 0 9 1 1 0 0 0 10 1 2 0 0 0 11 1 2 0 0 0 12 8 1 0 0 0 13 5 1 0 0 0 14 5 2 0 0 0 15 7 2 0 0 0 16 7 1 0 0 0 17 9 2 0 0 0 18 9 1 0 0 0 19 20 1 0 0 0 20 18 2 0 0 0 21 17 1 0 0 0 22 19 1 0 0 0 23 16 1 0 0 0 24 29 1 0 0 0 25 28 1 0 0 0 26 13 1 0 0 0 27 13 1 0 0 0 28 27 1 0 0 0 29 26 1 0 0 0 30 24 1 0 0 0 31 25 1 0 0 0 19 21 2 0 0 0 4 6 1 0 0 0 M END > 8.49485002168009 > 7.30980391997149 $$$$ 11280715172D 1 1.00000 0.00000 0 31 32 0 1 0 999 V2000 3.7792 -0.2292 0.0000 S 0 0 3 0 0 0 0 0 0 3.7875 -0.8542 0.0000 N 0 0 3 0 0 0 0 0 0 4.1792 -1.2417 0.0000 C 0 0 1 0 0 0 0 0 0 4.7167 -1.0917 0.0000 C 0 0 0 0 0 0 0 0 0 3.8167 0.3708 0.0000 C 0 0 0 0 0 0 0 0 0 3.2042 -0.2542 0.0000 O 0 0 0 0 0 0 0 0 0 4.3000 -0.1917 0.0000 O 0 0 0 0 0 0 0 0 0 3.2417 -0.9917 0.0000 C 0 0 0 0 0 0 0 0 0 4.7125 -0.6667 0.0000 O 0 0 0 0 0 0 0 0 0 5.2042 -1.3792 0.0000 N 0 0 0 0 0 0 0 0 0 4.1792 -1.8042 0.0000 C 0 0 0 0 0 0 0 0 0 4.3542 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 3.3167 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 3.9000 1.5625 0.0000 C 0 0 0 0 0 0 0 0 0 3.3625 1.2958 0.0000 C 0 0 0 0 0 0 0 0 0 4.4000 1.2333 0.0000 C 0 0 0 0 0 0 0 0 0 4.5667 -2.7542 0.0000 S 0 0 0 0 0 0 0 0 0 5.7667 -1.3792 0.0000 O 0 0 0 0 0 0 0 0 0 3.9417 2.1625 0.0000 O 0 0 0 0 0 0 0 0 0 5.0417 -3.6000 0.0000 C 0 0 0 0 0 0 0 0 0 2.9542 -1.4792 0.0000 C 0 0 3 0 0 0 0 0 0 4.5667 -2.1917 0.0000 C 0 0 0 0 0 0 0 0 0 5.0417 -3.0375 0.0000 C 0 0 0 0 0 0 0 0 0 3.4417 2.4958 0.0000 C 0 0 0 0 0 0 0 0 0 4.5542 -3.8750 0.0000 C 0 0 0 0 0 0 0 0 0 5.5250 -3.8792 0.0000 C 0 0 0 0 0 0 0 0 0 2.3917 -1.4792 0.0000 C 0 0 0 0 0 0 0 0 0 2.9542 -2.0417 0.0000 C 0 0 0 0 0 0 0 0 0 5.5250 -4.4375 0.0000 C 0 0 0 0 0 0 0 0 0 4.5500 -4.4292 0.0000 C 0 0 0 0 0 0 0 0 0 5.0292 -4.7167 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 1 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 2 1 0 0 0 9 4 2 0 0 0 10 4 1 0 0 0 3 11 1 1 0 0 12 5 2 0 0 0 13 5 1 0 0 0 14 15 1 0 0 0 15 13 2 0 0 0 16 12 1 0 0 0 17 22 1 0 0 0 18 10 1 0 0 0 19 14 1 0 0 0 20 23 1 0 0 0 21 8 1 0 0 0 22 11 1 0 0 0 23 17 1 0 0 0 24 19 1 0 0 0 25 20 2 0 0 0 26 20 1 0 0 0 27 21 1 0 0 0 28 21 1 0 0 0 29 26 2 0 0 0 30 25 1 0 0 0 31 29 1 0 0 0 16 14 2 0 0 0 31 30 2 0 0 0 M END > 7.92081875395237 > 6.98296666070122 $$$$ 11280715452D 1 1.00000 0.00000 0 31 33 0 1 0 999 V2000 -1.0750 -0.4750 0.0000 S 0 0 3 0 0 0 0 0 0 -1.0750 0.3500 0.0000 N 0 0 3 0 0 0 0 0 0 -0.3625 0.7583 0.0000 C 0 0 1 0 0 0 0 0 0 0.3500 0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0833 -1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3625 1.5833 0.0000 C 0 0 2 0 0 0 0 0 0 -0.2500 -0.4750 0.0000 O 0 0 0 0 0 0 0 0 0 -1.9083 -0.4667 0.0000 O 0 0 0 0 0 0 0 0 0 1.0292 -4.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0.7542 -0.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0.3167 -3.7667 0.0000 C 0 0 0 0 0 0 0 0 0 1.7417 -3.7667 0.0000 C 0 0 0 0 0 0 0 0 0 1.0625 0.7625 0.0000 N 0 0 0 0 0 0 0 0 0 -0.3958 -4.1792 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7833 0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3750 -1.7125 0.0000 C 0 0 0 0 0 0 0 0 0 -1.8000 -1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1083 -3.7667 0.0000 O 0 0 0 0 0 0 0 0 0 -1.1000 -2.9417 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3708 2.4083 0.0000 O 0 0 0 0 0 0 0 0 0 2.4542 -4.1792 0.0000 F 0 0 0 0 0 0 0 0 0 -0.3833 -2.5375 0.0000 C 0 0 0 0 0 0 0 0 0 -1.8083 -2.5250 0.0000 C 0 0 0 0 0 0 0 0 0 1.7750 0.3500 0.0000 O 0 0 0 0 0 0 0 0 0 -1.0750 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7833 1.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0.4292 1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 1.0250 -2.5292 0.0000 C 0 0 0 0 0 0 0 0 0 1.0292 -5.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0.3125 -2.9417 0.0000 C 0 0 0 0 0 0 0 0 0 1.7417 -2.9417 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 3 4 1 6 0 0 5 1 1 0 0 0 6 3 1 0 0 0 7 1 2 0 0 0 8 1 2 0 0 0 9 11 2 0 0 0 10 4 2 0 0 0 11 14 1 0 0 0 12 9 1 0 0 0 13 4 1 0 0 0 14 18 1 0 0 0 15 2 1 0 0 0 16 5 1 0 0 0 17 5 2 0 0 0 18 19 1 0 0 0 19 23 2 0 0 0 6 20 1 1 0 0 21 12 1 0 0 0 22 16 2 0 0 0 23 17 1 0 0 0 24 13 1 0 0 0 25 26 1 0 0 0 26 15 1 0 0 0 6 27 1 6 0 0 28 30 2 0 0 0 29 9 1 0 0 0 30 11 1 0 0 0 31 28 1 0 0 0 19 22 1 0 0 0 25 6 1 0 0 0 31 12 2 0 0 0 M END > 8.49485002168009 > 5.88605664769316 $$$$ CDK 9/16/09,9:54 26 27 0 0 0 0 0 0 0 0999 V2000 11.6958 -9.9958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.4103 -9.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1248 -9.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4103 -8.7583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8392 -9.5833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.5537 -9.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2682 -9.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9827 -9.9958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2682 -8.7583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9814 -9.5833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8392 -8.7583 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.8333 -7.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6642 -8.7554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0143 -8.7655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5508 -7.5113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5452 -6.6829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8237 -6.2726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1062 -6.6968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1153 -7.5238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8167 -5.4477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5276 -5.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2439 -5.4408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9543 -5.0230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9478 -4.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2248 -3.7909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5173 -4.2111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6 7 1 0 0 0 0 11 14 2 0 0 0 0 2 4 2 0 0 0 0 12 15 2 0 0 0 0 7 8 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 7 9 2 0 0 0 0 17 18 1 0 0 0 0 3 5 1 0 0 0 0 18 19 2 0 0 0 0 19 12 1 0 0 0 0 1 10 1 0 0 0 0 17 20 1 0 0 0 0 2 3 1 0 0 0 0 20 21 1 0 0 0 0 5 11 1 0 0 0 0 21 22 2 0 0 0 0 5 6 1 0 0 0 0 22 23 1 0 0 0 0 11 12 1 0 0 0 0 23 24 2 0 0 0 0 1 2 1 0 0 0 0 24 25 1 0 0 0 0 11 13 2 0 0 0 0 25 26 2 0 0 0 0 26 21 1 0 0 0 0 M END > 8.79588001734407 > 5.8153085691824 $$$$ 11280715142D 1 1.00000 0.00000 0 22 22 0 0 0 999 V2000 2.9042 -0.9417 0.0000 S 0 0 3 0 0 0 0 0 0 2.1792 -1.3667 0.0000 N 0 0 3 0 0 0 0 0 0 3.6250 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 3.3292 -1.6667 0.0000 O 0 0 0 0 0 0 0 0 0 2.4792 -0.2167 0.0000 O 0 0 0 0 0 0 0 0 0 6.4792 1.9708 0.0000 C 0 0 0 0 0 0 0 0 0 7.2042 2.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0.7667 -2.2042 0.0000 C 0 0 0 0 0 0 0 0 0 1.4875 -2.6167 0.0000 C 0 0 0 0 0 0 0 0 0 2.1917 -2.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0.7625 -1.3792 0.0000 O 0 0 0 0 0 0 0 0 0 3.6250 0.3083 0.0000 C 0 0 0 0 0 0 0 0 0 4.3375 -0.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0.0542 -2.6292 0.0000 N 0 0 0 0 0 0 0 0 0 5.0542 0.3083 0.0000 C 0 0 0 0 0 0 0 0 0 4.3375 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 5.0542 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6583 -2.2167 0.0000 O 0 0 0 0 0 0 0 0 0 5.7667 1.5583 0.0000 C 0 0 0 0 0 0 0 0 0 5.7750 0.7333 0.0000 O 0 0 0 0 0 0 0 0 0 7.9167 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 1.4542 -0.9625 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 1 2 0 0 0 5 1 2 0 0 0 6 19 1 0 0 0 7 6 3 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 10 2 1 0 0 0 11 8 2 0 0 0 12 3 2 0 0 0 13 3 1 0 0 0 14 8 1 0 0 0 15 17 1 0 0 0 16 12 1 0 0 0 17 13 2 0 0 0 18 14 1 0 0 0 19 20 1 0 0 0 20 15 1 0 0 0 21 7 1 0 0 0 22 2 1 0 0 0 16 15 2 0 0 0 M END > 7.24412514432751 > 7.48148606012211 $$$$ 11280715082D 1 1.00000 0.00000 0 41 44 0 0 0 999 V2000 3.3667 -1.2375 0.0000 S 0 0 3 0 0 0 0 0 0 4.1917 -1.2042 0.0000 C 0 0 3 0 0 0 0 0 0 4.5792 -0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 8.4167 -8.2917 0.0000 N 0 0 3 0 0 0 0 0 0 2.5417 -1.2667 0.0000 C 0 0 0 0 0 0 0 0 0 9.0000 -8.8750 0.0000 C 0 0 0 0 0 0 0 0 0 4.1875 -2.0292 0.0000 C 0 0 0 0 0 0 0 0 0 3.4042 -2.0667 0.0000 O 0 0 0 0 0 0 0 0 0 3.3375 -0.4167 0.0000 O 0 0 0 0 0 0 0 0 0 7.2542 -7.1250 0.0000 N 0 0 3 0 0 0 0 0 0 9.7917 -8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 4.1375 0.2208 0.0000 O 0 0 0 0 0 0 0 0 0 7.6167 -8.5000 0.0000 C 0 0 0 0 0 0 0 0 0 8.6292 -7.4917 0.0000 C 0 0 0 0 0 0 0 0 0 5.4042 -0.4417 0.0000 N 0 0 0 0 0 0 0 0 0 2.1625 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 2.1042 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 7.0417 -7.9167 0.0000 C 0 0 0 0 0 0 0 0 0 8.0500 -6.9042 0.0000 C 0 0 0 0 0 0 0 0 0 5.0125 -1.2042 0.0000 C 0 0 0 0 0 0 0 0 0 10.3792 -9.2417 0.0000 C 0 0 0 0 0 0 0 0 0 4.7667 -2.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0.8917 -1.3375 0.0000 C 0 0 0 0 0 0 0 0 0 5.9292 -3.7792 0.0000 C 0 0 0 0 0 0 0 0 0 1.3375 -2.0292 0.0000 C 0 0 0 0 0 0 0 0 0 1.2750 -0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 11.1750 -9.0250 0.0000 Cl 0 0 0 0 0 0 0 0 0 5.7917 0.2875 0.0000 O 0 0 0 0 0 0 0 0 0 4.5542 -3.4125 0.0000 C 0 0 0 0 0 0 0 0 0 5.5625 -2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 6.1417 -2.9792 0.0000 C 0 0 0 0 0 0 0 0 0 5.1292 -3.9917 0.0000 C 0 0 0 0 0 0 0 0 0 6.6750 -6.5417 0.0000 C 0 0 0 0 0 0 0 0 0 6.8875 -5.7417 0.0000 C 0 0 0 0 0 0 0 0 0 6.5167 -4.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0.0667 -1.3667 0.0000 O 0 0 0 0 0 0 0 0 0 8.7792 -9.6667 0.0000 C 0 0 0 0 0 0 0 0 0 9.3667 -10.2542 0.0000 C 0 0 0 0 0 0 0 0 0 6.3042 -5.1625 0.0000 C 0 0 0 0 0 0 0 0 0 10.1625 -10.0417 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3708 -0.6750 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 14 1 0 0 0 5 1 1 0 0 0 6 4 1 0 0 0 7 2 1 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 33 1 0 0 0 11 6 1 0 0 0 12 3 2 0 0 0 13 18 1 0 0 0 14 19 1 0 0 0 15 3 1 0 0 0 16 5 1 0 0 0 17 5 2 0 0 0 18 10 1 0 0 0 19 10 1 0 0 0 20 2 1 0 0 0 21 11 2 0 0 0 22 7 1 0 0 0 23 26 2 0 0 0 24 31 1 0 0 0 25 16 2 0 0 0 26 17 1 0 0 0 27 21 1 0 0 0 28 15 1 0 0 0 29 22 2 0 0 0 30 22 1 0 0 0 31 30 2 0 0 0 32 29 1 0 0 0 33 34 1 0 0 0 34 39 1 0 0 0 35 24 1 0 0 0 36 23 1 0 0 0 37 6 2 0 0 0 38 37 1 0 0 0 39 35 1 0 0 0 40 38 2 0 0 0 41 36 1 0 0 0 25 23 1 0 0 0 32 24 2 0 0 0 13 4 1 0 0 0 21 40 1 0 0 0 M END > 8.39794000867204 > 6.22694530663574 $$$$ 11280715432D 1 1.00000 0.00000 0 26 27 0 0 0 999 V2000 -0.7833 0.9458 0.0000 S 0 0 3 0 0 0 0 0 0 -0.7833 0.1083 0.0000 N 0 0 3 0 0 0 0 0 0 -1.5375 -0.2417 0.0000 C 0 0 3 0 0 0 0 0 0 -2.1750 0.2833 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0458 -0.2625 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7250 -1.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0.0542 0.9458 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7833 1.7708 0.0000 O 0 0 0 0 0 0 0 0 0 -1.6083 0.9458 0.0000 O 0 0 0 0 0 0 0 0 0 2.5375 -0.5042 0.0000 C 0 0 0 0 0 0 0 0 0 2.9417 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3833 -1.7042 0.0000 N 0 0 3 0 0 0 0 0 0 -2.1833 1.1083 0.0000 O 0 0 0 0 0 0 0 0 0 -2.9208 -0.0667 0.0000 N 0 0 0 0 0 0 0 0 0 0.1375 -1.0667 0.0000 C 0 0 0 0 0 0 0 0 0 -1.2208 -1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0.4542 1.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0.4542 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 1.7000 0.9333 0.0000 C 0 0 0 0 0 0 0 0 0 1.2917 1.6583 0.0000 C 0 0 0 0 0 0 0 0 0 1.2917 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 -3.6083 0.3958 0.0000 O 0 0 0 0 0 0 0 0 0 2.9542 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 2.5375 0.9333 0.0000 O 0 0 0 0 0 0 0 0 0 -0.0375 -2.4542 0.0000 C 0 0 0 0 0 0 0 0 0 3.3542 -1.9417 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 2 1 0 0 0 6 3 1 0 0 0 7 1 1 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 23 1 0 0 0 11 10 3 0 0 0 12 15 1 0 0 0 13 4 2 0 0 0 14 4 1 0 0 0 15 5 1 0 0 0 16 6 1 0 0 0 17 7 1 0 0 0 18 7 2 0 0 0 19 21 2 0 0 0 20 17 2 0 0 0 21 18 1 0 0 0 22 14 1 0 0 0 23 24 1 0 0 0 24 19 1 0 0 0 25 12 1 0 0 0 26 11 1 0 0 0 19 20 1 0 0 0 12 16 1 0 0 0 M END > 7.67778070526608 > 6.62342304294349 $$$$ 11280715122D 1 1.00000 0.00000 0 28 29 0 0 0 999 V2000 5.2292 -0.7667 0.0000 S 0 0 3 0 0 0 0 0 0 5.4125 -1.5792 0.0000 N 0 0 3 0 0 0 0 0 0 4.7667 -2.0875 0.0000 C 0 0 3 0 0 0 0 0 0 5.4125 -3.4292 0.0000 N 0 0 3 0 0 0 0 0 0 5.2292 -4.2292 0.0000 C 0 0 0 0 0 0 0 0 0 4.7667 -2.9167 0.0000 C 0 0 0 0 0 0 0 0 0 4.0250 -1.7250 0.0000 C 0 0 0 0 0 0 0 0 0 5.8375 -0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 6.0292 -0.9792 0.0000 O 0 0 0 0 0 0 0 0 0 4.4292 -0.5542 0.0000 O 0 0 0 0 0 0 0 0 0 4.4417 -4.4750 0.0000 C 0 0 3 0 0 0 0 0 0 5.8375 -4.7917 0.0000 O 0 0 0 0 0 0 0 0 0 3.9667 -0.9042 0.0000 O 0 0 0 0 0 0 0 0 0 3.3417 -2.1875 0.0000 N 0 0 0 0 0 0 0 0 0 6.2167 -1.7625 0.0000 C 0 0 0 0 0 0 0 0 0 6.6250 -0.4542 0.0000 C 0 0 0 0 0 0 0 0 0 5.6542 0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 6.2167 -3.2417 0.0000 C 0 0 0 0 0 0 0 0 0 6.5667 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 7.0500 0.9083 0.0000 C 0 0 0 0 0 0 0 0 0 6.2542 1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 7.2292 0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 2.6000 -1.8292 0.0000 O 0 0 0 0 0 0 0 0 0 7.6542 1.4625 0.0000 O 0 0 0 0 0 0 0 0 0 3.8375 -3.9167 0.0000 C 0 0 0 0 0 0 0 0 0 4.2542 -5.2792 0.0000 C 0 0 0 0 0 0 0 0 0 4.4125 -3.6500 0.0000 C 0 0 0 0 0 0 0 0 0 8.4417 1.2208 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 6 1 0 0 0 5 4 1 0 0 0 6 3 1 0 0 0 7 3 1 0 0 0 8 1 1 0 0 0 9 1 2 0 0 0 10 1 2 0 0 0 11 5 1 0 0 0 12 5 2 0 0 0 13 7 2 0 0 0 14 7 1 0 0 0 15 2 1 0 0 0 16 8 2 0 0 0 17 8 1 0 0 0 18 19 1 0 0 0 19 15 1 0 0 0 20 21 1 0 0 0 21 17 2 0 0 0 22 16 1 0 0 0 23 14 1 0 0 0 24 20 1 0 0 0 25 11 1 0 0 0 26 11 1 0 0 0 27 11 1 0 0 0 28 24 1 0 0 0 20 22 2 0 0 0 4 18 1 0 0 0 M END > 7.95860731484177 > 6.60032627851896 $$$$ 11280715232D 1 1.00000 0.00000 0 25 24 0 0 0 999 V2000 6.2375 -3.0125 0.0000 C 0 0 3 0 0 0 0 0 0 5.5292 -2.6292 0.0000 S 0 0 3 0 0 0 0 0 0 6.2542 -3.8042 0.0000 C 0 0 3 0 0 0 0 0 0 6.9500 -4.1875 0.0000 C 0 0 3 0 0 0 0 0 0 4.8542 -2.2375 0.0000 N 0 0 0 0 0 0 0 0 0 6.9667 -4.9792 0.0000 C 0 0 3 0 0 0 0 0 0 4.1667 -2.6292 0.0000 C 0 0 3 0 0 0 0 0 0 3.4792 -2.2375 0.0000 C 0 0 0 0 0 0 0 0 0 6.2167 -1.9250 0.0000 O 0 0 0 0 0 0 0 0 0 4.7542 -3.3375 0.0000 O 0 0 0 0 0 0 0 0 0 6.9167 -2.6000 0.0000 F 0 0 0 0 0 0 0 0 0 5.6792 -3.5875 0.0000 F 0 0 0 0 0 0 0 0 0 5.5792 -4.2125 0.0000 F 0 0 0 0 0 0 0 0 0 6.8000 -3.2292 0.0000 F 0 0 0 0 0 0 0 0 0 7.6250 -3.7750 0.0000 F 0 0 0 0 0 0 0 0 0 6.4042 -4.7417 0.0000 F 0 0 0 0 0 0 0 0 0 2.7917 -2.6292 0.0000 O 0 0 0 0 0 0 0 0 0 3.4792 -1.4417 0.0000 N 0 0 0 0 0 0 0 0 0 6.8542 -5.7292 0.0000 F 0 0 0 0 0 0 0 0 0 7.6625 -5.3542 0.0000 F 0 0 0 0 0 0 0 0 0 6.3542 -5.3542 0.0000 F 0 0 0 0 0 0 0 0 0 4.1667 -3.4250 0.0000 C 0 0 3 0 0 0 0 0 0 2.6042 -1.1000 0.0000 O 0 0 0 0 0 0 0 0 0 3.4792 -3.8250 0.0000 C 0 0 0 0 0 0 0 0 0 4.4625 -4.0792 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 3 1 0 0 0 5 2 1 0 0 0 6 4 1 0 0 0 7 5 1 0 0 0 8 7 1 0 0 0 9 2 2 0 0 0 10 2 2 0 0 0 11 1 1 0 0 0 12 1 1 0 0 0 13 3 1 0 0 0 14 3 1 0 0 0 15 4 1 0 0 0 16 4 1 0 0 0 17 8 2 0 0 0 18 8 1 0 0 0 19 6 1 0 0 0 20 6 1 0 0 0 21 6 1 0 0 0 22 7 1 0 0 0 23 18 1 0 0 0 24 22 1 0 0 0 25 22 1 0 0 0 M END > 7.10790539730952 > 7.10790539730952 $$$$ 11280715052D 1 1.00000 0.00000 0 29 31 0 0 0 999 V2000 2.8292 -5.2625 0.0000 S 0 0 3 0 0 0 0 0 0 2.0042 -5.2292 0.0000 N 0 0 3 0 0 0 0 0 0 1.5667 -5.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0.7375 -5.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0.3500 -5.1667 0.0000 C 0 0 0 0 0 0 0 0 0 3.6542 -5.2625 0.0000 C 0 0 0 0 0 0 0 0 0 3.2667 -4.5625 0.0000 O 0 0 0 0 0 0 0 0 0 3.2125 -5.9917 0.0000 O 0 0 0 0 0 0 0 0 0 1.9500 -6.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0.7917 -4.4667 0.0000 O 0 0 0 0 0 0 0 0 0 7.3667 -7.3917 0.0000 N 0 0 0 0 0 0 0 0 0 -0.4750 -5.1375 0.0000 N 0 0 0 0 0 0 0 0 0 4.0542 -4.5500 0.0000 C 0 0 0 0 0 0 0 0 0 4.0625 -5.9750 0.0000 C 0 0 0 0 0 0 0 0 0 6.1167 -5.2542 0.0000 O 0 0 0 0 0 0 0 0 0 6.5292 -5.9667 0.0000 C 0 0 0 0 0 0 0 0 0 5.2917 -5.2542 0.0000 C 0 0 0 0 0 0 0 0 0 1.6167 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0.3000 -6.5917 0.0000 C 0 0 0 0 0 0 0 0 0 4.8792 -5.9667 0.0000 C 0 0 0 0 0 0 0 0 0 4.8792 -4.5417 0.0000 C 0 0 0 0 0 0 0 0 0 -0.9125 -5.8375 0.0000 O 0 0 0 0 0 0 0 0 0 7.3625 -5.9667 0.0000 C 0 0 0 0 0 0 0 0 0 6.1292 -6.6875 0.0000 C 0 0 0 0 0 0 0 0 0 7.7792 -6.6792 0.0000 C 0 0 0 0 0 0 0 0 0 6.5417 -7.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0.6792 -7.3250 0.0000 C 0 0 0 0 0 0 0 0 0 1.5042 -7.3542 0.0000 C 0 0 0 0 0 0 0 0 0 2.7750 -6.6917 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 6 1 1 0 0 0 7 1 2 0 0 0 8 1 2 0 0 0 9 3 2 0 0 0 10 5 2 0 0 0 11 26 2 0 0 0 12 5 1 0 0 0 13 6 1 0 0 0 14 6 2 0 0 0 15 17 1 0 0 0 16 15 1 0 0 0 17 20 2 0 0 0 18 2 1 0 0 0 19 4 2 0 0 0 20 14 1 0 0 0 21 13 2 0 0 0 22 12 1 0 0 0 23 16 1 0 0 0 24 16 2 0 0 0 25 23 2 0 0 0 26 24 1 0 0 0 27 28 2 0 0 0 28 9 1 0 0 0 29 9 1 0 0 0 21 17 1 0 0 0 19 27 1 0 0 0 11 25 1 0 0 0 M END > 8.39794000867204 > 5.48878529886361 $$$$ 11280715212D 1 1.00000 0.00000 0 28 30 0 0 0 999 V2000 -1.5333 1.6583 0.0000 S 0 0 3 0 0 0 0 0 0 -2.9625 1.6708 0.0000 C 0 0 3 0 0 0 0 0 0 -2.2500 2.0833 0.0000 N 0 0 0 0 0 0 0 0 0 -3.6833 2.0833 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8083 1.2250 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1083 2.3750 0.0000 O 0 0 0 0 0 0 0 0 0 -1.9583 0.9333 0.0000 O 0 0 0 0 0 0 0 0 0 1.3292 -0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 1.3375 -0.0125 0.0000 O 0 0 0 0 0 0 0 0 0 -3.6833 2.9083 0.0000 O 0 0 0 0 0 0 0 0 0 -4.3958 1.6708 0.0000 N 0 0 0 0 0 0 0 0 0 2.0500 -1.2542 0.0000 C 0 0 0 0 0 0 0 0 0 -2.2458 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 -3.6833 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 -2.9708 0.0083 0.0000 O 0 0 0 0 0 0 0 0 0 -0.0958 1.6458 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8083 0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0.6167 0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 2.7625 -0.8375 0.0000 F 0 0 0 0 0 0 0 0 0 0.6167 1.2333 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0958 -0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 -4.3958 0.8375 0.0000 O 0 0 0 0 0 0 0 0 0 -2.2500 0.4208 0.0000 C 0 0 0 0 0 0 0 0 0 -3.6833 0.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0.6125 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 2.0500 -2.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0.6125 -2.0792 0.0000 C 0 0 0 0 0 0 0 0 0 1.3292 -2.4917 0.0000 C 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 3 1 1 0 0 0 4 2 1 0 0 0 5 1 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 9 1 0 0 0 9 18 1 0 0 0 10 4 2 0 0 0 11 4 1 0 0 0 12 8 1 0 0 0 13 2 1 0 0 0 14 2 1 0 0 0 15 24 1 0 0 0 16 5 1 0 0 0 17 5 2 0 0 0 18 21 2 0 0 0 19 12 1 0 0 0 20 16 2 0 0 0 21 17 1 0 0 0 22 11 1 0 0 0 23 13 1 0 0 0 24 14 1 0 0 0 25 8 2 0 0 0 26 12 2 0 0 0 27 25 1 0 0 0 28 27 2 0 0 0 20 18 1 0 0 0 23 15 1 0 0 0 28 26 1 0 0 0 M END > 9.18708664335714 > 6.74472749489669 $$$$ 11280715072D 1 1.00000 0.00000 0 33 35 0 0 0 999 V2000 2.9667 -3.3542 0.0000 S 0 0 3 0 0 0 0 0 0 3.7917 -3.3542 0.0000 C 0 0 3 0 0 0 0 0 0 3.7917 -4.1792 0.0000 C 0 0 0 0 0 0 0 0 0 2.1417 -3.3542 0.0000 C 0 0 0 0 0 0 0 0 0 4.6167 -3.3542 0.0000 C 0 0 0 0 0 0 0 0 0 2.9667 -2.5292 0.0000 O 0 0 0 0 0 0 0 0 0 2.9667 -4.1792 0.0000 O 0 0 0 0 0 0 0 0 0 8.3500 0.2333 0.0000 N 0 0 3 0 0 0 0 0 0 3.2417 -4.7417 0.0000 O 0 0 0 0 0 0 0 0 0 4.5042 -4.5917 0.0000 N 0 0 0 0 0 0 0 0 0 1.7292 -4.0667 0.0000 C 0 0 0 0 0 0 0 0 0 1.7292 -2.6417 0.0000 C 0 0 0 0 0 0 0 0 0 3.7917 -2.5292 0.0000 C 0 0 0 0 0 0 0 0 0 5.0292 -2.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0.4875 -3.3542 0.0000 C 0 0 0 0 0 0 0 0 0 5.8542 -1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0.9000 -2.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0.9000 -4.0667 0.0000 C 0 0 0 0 0 0 0 0 0 4.5042 -5.4250 0.0000 O 0 0 0 0 0 0 0 0 0 5.8542 -2.6417 0.0000 C 0 0 0 0 0 0 0 0 0 4.6167 -1.9292 0.0000 C 0 0 0 0 0 0 0 0 0 5.0292 -1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 6.2667 -1.9292 0.0000 C 0 0 0 0 0 0 0 0 0 6.2750 -0.4875 0.0000 O 0 0 0 0 0 0 0 0 0 7.5167 0.2333 0.0000 C 0 0 0 0 0 0 0 0 0 7.1042 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3375 -3.3542 0.0000 O 0 0 0 0 0 0 0 0 0 8.7625 0.9458 0.0000 C 0 0 0 0 0 0 0 0 0 8.7625 -0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7500 -2.6417 0.0000 C 0 0 0 0 0 0 0 0 0 9.5917 -0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 9.5917 0.9458 0.0000 C 0 0 0 0 0 0 0 0 0 10.0042 0.2333 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 1 1 0 0 0 5 2 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 25 1 0 0 0 9 3 2 0 0 0 10 3 1 0 0 0 11 4 1 0 0 0 12 4 2 0 0 0 13 2 1 0 0 0 14 5 1 0 0 0 15 17 2 0 0 0 16 22 1 0 0 0 17 12 1 0 0 0 18 11 2 0 0 0 19 10 1 0 0 0 20 14 2 0 0 0 21 14 1 0 0 0 22 21 2 0 0 0 23 20 1 0 0 0 24 16 1 0 0 0 25 26 1 0 0 0 26 24 1 0 0 0 27 15 1 0 0 0 28 8 1 0 0 0 29 8 1 0 0 0 30 27 1 0 0 0 31 29 1 0 0 0 32 28 1 0 0 0 33 31 1 0 0 0 18 15 1 0 0 0 23 16 2 0 0 0 32 33 1 0 0 0 M END > 9 > 6.81247927916354 $$$$ CDK 9/16/09,10:8 32 34 0 0 0 0 0 0 0 0999 V2000 1.6414 -11.3172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -12.1412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3653 -12.5477 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0765 -12.1306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0680 -11.3068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3524 -10.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3697 -13.3716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6591 -13.7910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0889 -13.7804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3480 -10.0678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6289 -9.6590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6245 -8.8310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7758 -10.0562 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.1868 -9.3384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3647 -10.7741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4936 -10.4672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1751 -8.4376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4572 -8.0265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8446 -8.5823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9042 -8.0574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5982 -8.5035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6690 -6.8571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9406 -7.2376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3678 -7.3016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3320 -8.1249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7996 -13.3635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5159 -13.7707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7940 -12.5396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0985 -6.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0586 -9.6485 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9141 -10.0743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0061 -9.2473 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 13 16 2 0 0 0 0 14 32 1 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 32 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 14 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 20 21 2 0 0 0 0 21 25 1 0 0 0 0 5 6 1 0 0 0 0 24 22 1 0 0 0 0 3 7 1 0 0 0 0 22 23 2 0 0 0 0 23 20 1 0 0 0 0 17 20 1 0 0 0 0 24 25 2 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 6 1 6 0 0 0 9 26 1 0 0 0 0 26 27 1 0 0 0 0 10 11 1 0 0 0 0 26 28 1 0 0 0 0 11 12 2 0 0 0 0 24 29 1 0 0 0 0 10 30 1 0 0 0 0 30 13 1 0 0 0 0 11 31 1 0 0 0 0 M END > 8.88605664769316 > 5.69464863055338 $$$$ 11280714592D 1 1.00000 0.00000 0 27 28 0 0 0 999 V2000 5.7042 -6.4667 0.0000 C 0 0 0 0 0 0 0 0 0 5.7042 -7.0750 0.0000 N 0 0 0 0 0 0 0 0 0 7.2667 -4.3542 0.0000 N 0 3 0 0 0 0 0 0 0 6.2292 -7.3792 0.0000 C 0 0 0 0 0 0 0 0 0 5.1792 -6.1667 0.0000 N 0 0 3 0 0 0 0 0 0 4.1292 -6.1667 0.0000 C 0 0 0 0 0 0 0 0 0 6.7500 -4.6542 0.0000 C 0 0 0 0 0 0 0 0 0 6.2292 -6.1667 0.0000 S 0 0 0 0 0 0 0 0 0 4.6542 -6.4667 0.0000 C 0 0 0 0 0 0 0 0 0 7.7917 -4.6542 0.0000 O 0 5 0 0 0 0 0 0 0 7.2667 -3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 5.1792 -5.5667 0.0000 C 0 0 0 0 0 0 0 0 0 6.7500 -7.0750 0.0000 O 0 0 0 0 0 0 0 0 0 6.2292 -7.9792 0.0000 C 0 0 0 0 0 0 0 0 0 3.6125 -6.4667 0.0000 O 0 0 0 0 0 0 0 0 0 4.1292 -5.5667 0.0000 N 0 0 0 0 0 0 0 0 0 6.2167 -4.3542 0.0000 C 0 0 0 0 0 0 0 0 0 6.7500 -5.2625 0.0000 C 0 0 0 0 0 0 0 0 0 5.7042 -5.2625 0.0000 C 0 0 0 0 0 0 0 0 0 5.7042 -4.6542 0.0000 C 0 0 0 0 0 0 0 0 0 6.2292 -5.5667 0.0000 C 0 0 0 0 0 0 0 0 0 3.6125 -5.2625 0.0000 O 0 0 0 0 0 0 0 0 0 5.7042 -8.2792 0.0000 C 0 0 0 0 0 0 0 0 0 6.7500 -8.2792 0.0000 C 0 0 0 0 0 0 0 0 0 6.7500 -8.8792 0.0000 C 0 0 0 0 0 0 0 0 0 5.7042 -8.8875 0.0000 C 0 0 0 0 0 0 0 0 0 6.2167 -9.1917 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 7 1 0 0 0 4 2 1 0 0 0 5 1 1 0 0 0 6 9 1 0 0 0 7 18 2 0 0 0 8 1 2 0 0 0 9 5 1 0 0 0 10 3 1 0 0 0 11 3 2 0 0 0 12 5 1 0 0 0 13 4 2 0 0 0 14 4 1 0 0 0 15 6 2 0 0 0 16 6 1 0 0 0 17 20 2 0 0 0 18 21 1 0 0 0 19 12 1 0 0 0 20 19 1 0 0 0 21 19 2 0 0 0 22 16 1 0 0 0 23 14 2 0 0 0 24 14 1 0 0 0 25 24 2 0 0 0 26 23 1 0 0 0 27 25 1 0 0 0 7 17 1 0 0 0 26 27 2 0 0 0 M CHG 2 3 1 10 -1 M END > 8.22184874961636 > 8.22184874961636 $$$$ CDK 9/16/09,10:8 37 40 0 0 0 0 0 0 0 0999 V2000 2.5487 -18.9692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5573 -19.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2736 -20.2013 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9857 -19.7836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9771 -18.9587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2607 -18.5431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2563 -17.7181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5362 -17.3088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5318 -16.4797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6840 -17.7065 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.0956 -16.9877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2724 -18.4253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4028 -18.1180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9158 -16.8965 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.0852 -16.0857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3663 -15.6741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7529 -16.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8152 -15.7050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5101 -16.1517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5810 -14.5032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8516 -14.8842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2807 -14.9482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2449 -15.7726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0123 -14.5669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7083 -15.0098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2793 -21.0263 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.2719 -21.8494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1043 -21.0272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4543 -21.0274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5532 -22.2527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5455 -23.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2552 -23.4937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9740 -23.0841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9782 -22.2632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2489 -24.3187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9668 -17.2988 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8205 -17.7246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17 11 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 18 19 2 0 0 0 0 19 23 1 0 0 0 0 5 6 1 0 0 0 0 22 20 1 0 0 0 0 7 6 1 6 0 0 0 20 21 2 0 0 0 0 21 18 1 0 0 0 0 15 18 1 0 0 0 0 22 23 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 3 26 1 0 0 0 0 10 11 1 0 0 0 0 26 27 1 0 0 0 0 10 12 2 0 0 0 0 26 28 2 0 0 0 0 10 13 2 0 0 0 0 26 29 2 0 0 0 0 11 14 1 0 0 0 0 27 30 2 0 0 0 0 30 31 1 0 0 0 0 1 2 1 0 0 0 0 31 32 2 0 0 0 0 1 6 1 0 0 0 0 32 33 1 0 0 0 0 2 3 1 0 0 0 0 33 34 2 0 0 0 0 34 27 1 0 0 0 0 14 15 1 0 0 0 0 32 35 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 7 36 1 0 0 0 0 36 10 1 0 0 0 0 8 37 1 0 0 0 0 M END > 8.85387196432176 > 5.36653154442041 $$$$ 11280715242D 1 1.00000 0.00000 0 32 34 0 0 0 999 V2000 4.8750 -1.2875 0.0000 S 0 0 3 0 0 0 0 0 0 4.8750 -1.8875 0.0000 N 0 0 3 0 0 0 0 0 0 4.3625 -2.1875 0.0000 C 0 0 3 0 0 0 0 0 0 4.8750 -3.0875 0.0000 N 0 0 3 0 0 0 0 0 0 4.8750 -3.6875 0.0000 C 0 0 0 0 0 0 0 0 0 4.3625 -2.7875 0.0000 C 0 0 0 0 0 0 0 0 0 3.8417 -1.8875 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -2.1875 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -3.9875 0.0000 N 0 0 3 0 0 0 0 0 0 5.3917 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 4.3250 -0.9000 0.0000 O 0 0 0 0 0 0 0 0 0 5.5875 -1.7000 0.0000 O 0 0 0 0 0 0 0 0 0 5.3917 -2.7875 0.0000 C 0 0 0 0 0 0 0 0 0 4.3542 -3.9792 0.0000 O 0 0 0 0 0 0 0 0 0 5.3917 -4.5875 0.0000 C 0 0 0 0 0 0 0 0 0 3.8375 -1.2875 0.0000 O 0 0 0 0 0 0 0 0 0 3.3167 -2.1875 0.0000 N 0 0 0 0 0 0 0 0 0 5.3917 -0.3875 0.0000 C 0 0 0 0 0 0 0 0 0 5.9125 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 6.4292 -0.3792 0.0000 C 0 0 0 0 0 0 0 0 0 4.8750 -4.8875 0.0000 C 0 0 0 0 0 0 0 0 0 5.9042 -0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 6.4292 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 2.8000 -1.8875 0.0000 O 0 0 0 0 0 0 0 0 0 5.9167 -3.6875 0.0000 C 0 0 0 0 0 0 0 0 0 6.9500 -0.0792 0.0000 O 0 0 0 0 0 0 0 0 0 4.8750 -5.4792 0.0000 C 0 0 0 0 0 0 0 0 0 4.3542 -4.5792 0.0000 C 0 0 0 0 0 0 0 0 0 7.4667 -0.3792 0.0000 C 0 0 0 0 0 0 0 0 0 4.3542 -5.7792 0.0000 C 0 0 0 0 0 0 0 0 0 3.8292 -4.8792 0.0000 C 0 0 0 0 0 0 0 0 0 3.8292 -5.4792 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 13 1 0 0 0 5 4 1 0 0 0 6 3 1 0 0 0 7 3 1 0 0 0 8 2 1 0 0 0 9 5 1 0 0 0 10 1 1 0 0 0 11 1 2 0 0 0 12 1 2 0 0 0 13 8 1 0 0 0 14 5 2 0 0 0 15 9 1 0 0 0 16 7 2 0 0 0 17 7 1 0 0 0 18 10 1 0 0 0 19 10 2 0 0 0 20 23 2 0 0 0 21 15 1 0 0 0 22 18 2 0 0 0 23 19 1 0 0 0 24 17 1 0 0 0 25 9 1 0 0 0 26 20 1 0 0 0 27 21 1 0 0 0 28 21 2 0 0 0 29 26 1 0 0 0 30 27 2 0 0 0 31 28 1 0 0 0 32 31 2 0 0 0 20 22 1 0 0 0 4 6 1 0 0 0 32 30 1 0 0 0 M END > 8.74472749489669 > 6.49214412830417 $$$$ 11290715552D 1 1.00000 0.00000 0 27 28 0 1 0 999 V2000 1.1346 -7.0607 0.0000 N 0 0 0 0 0 0 0 0 0 1.8456 -6.6422 0.0000 C 0 0 1 0 0 0 0 0 0 1.8386 -5.8172 0.0000 C 0 0 3 0 0 0 0 0 0 2.5496 -5.3988 0.0000 C 0 0 0 0 0 0 0 0 0 1.1207 -5.4107 0.0000 C 0 0 0 0 0 0 0 0 0 2.5635 -7.0487 0.0000 P 0 0 3 0 0 0 0 0 0 3.1458 -7.6292 0.0000 O 0 0 0 0 0 0 0 0 0 3.0624 -6.3917 0.0000 O 0 0 0 0 0 0 0 0 0 2.0675 -7.7080 0.0000 O 0 0 0 0 0 0 0 0 0 0.4167 -6.6542 0.0000 S 0 0 3 0 0 0 0 0 0 -0.3000 -6.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0.0076 -7.3706 0.0000 O 0 0 0 0 0 0 0 0 0 0.8274 -5.9387 0.0000 O 0 0 0 0 0 0 0 0 0 -0.2983 -5.4095 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0141 -4.9971 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7307 -5.4115 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7269 -6.2427 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0105 -6.6514 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4463 -5.0009 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4461 -4.1717 0.0000 C 0 0 0 0 0 0 0 0 0 -3.1608 -3.7611 0.0000 C 0 0 0 0 0 0 0 0 0 -3.8752 -4.1756 0.0000 C 0 0 0 0 0 0 0 0 0 -3.8703 -5.0048 0.0000 C 0 0 0 0 0 0 0 0 0 -3.1550 -5.4116 0.0000 C 0 0 0 0 0 0 0 0 0 -4.5913 -3.7659 0.0000 O 0 0 0 0 0 0 0 0 0 -4.5946 -2.9409 0.0000 C 0 0 0 0 0 0 0 0 0 -3.8818 -2.5256 0.0000 C 0 0 0 0 0 0 0 0 0 11 14 2 0 0 0 3 4 1 0 0 0 14 15 1 0 0 0 6 8 1 0 0 0 15 16 2 0 0 0 16 17 1 0 0 0 6 9 1 0 0 0 17 18 2 0 0 0 18 11 1 0 0 0 3 5 1 0 0 0 16 19 1 0 0 0 1 10 1 0 0 0 19 20 2 0 0 0 2 3 1 1 0 0 20 21 1 0 0 0 10 11 1 0 0 0 21 22 2 0 0 0 2 6 1 0 0 0 22 23 1 0 0 0 10 12 2 0 0 0 23 24 2 0 0 0 24 19 1 0 0 0 1 2 1 0 0 0 22 25 1 0 0 0 10 13 2 0 0 0 25 26 1 0 0 0 6 7 2 0 0 0 26 27 1 0 0 0 M END > 8.95860731484177 > 6.34678748622466 $$$$ 11280715432D 1 1.00000 0.00000 0 32 34 0 0 0 999 V2000 -0.6000 1.6500 0.0000 S 0 0 3 0 0 0 0 0 0 -0.6000 0.8208 0.0000 N 0 0 3 0 0 0 0 0 0 -1.3500 0.4708 0.0000 C 0 0 3 0 0 0 0 0 0 -1.9875 0.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0.1375 0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5458 -0.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0.2375 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6000 2.4833 0.0000 O 0 0 0 0 0 0 0 0 0 -1.4208 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 -0.2000 -0.9917 0.0000 N 0 0 3 0 0 0 0 0 0 2.7167 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 3.1292 -0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 -2.0000 1.8208 0.0000 O 0 0 0 0 0 0 0 0 0 -2.7458 0.6458 0.0000 N 0 0 0 0 0 0 0 0 0 0.3167 -0.3542 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0333 -0.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0.6375 2.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0.6375 0.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0.1500 -1.7417 0.0000 C 0 0 0 0 0 0 0 0 0 1.8917 1.6458 0.0000 C 0 0 0 0 0 0 0 0 0 1.4750 0.9208 0.0000 C 0 0 0 0 0 0 0 0 0 1.4750 2.3708 0.0000 C 0 0 0 0 0 0 0 0 0 -3.4208 1.1083 0.0000 O 0 0 0 0 0 0 0 0 0 -0.3208 -2.4167 0.0000 C 0 0 0 0 0 0 0 0 0 3.1375 0.9208 0.0000 C 0 0 0 0 0 0 0 0 0 2.7167 1.6458 0.0000 O 0 0 0 0 0 0 0 0 0 3.5375 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1458 -2.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0.0292 -3.1542 0.0000 C 0 0 0 0 0 0 0 0 0 -0.4458 -3.8292 0.0000 C 0 0 0 0 0 0 0 0 0 -1.6208 -3.0167 0.0000 C 0 0 0 0 0 0 0 0 0 -1.2625 -3.7667 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 2 1 0 0 0 6 3 1 0 0 0 7 1 1 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 15 1 0 0 0 11 25 1 0 0 0 12 11 3 0 0 0 13 4 2 0 0 0 14 4 1 0 0 0 15 5 1 0 0 0 16 6 1 0 0 0 17 7 1 0 0 0 18 7 2 0 0 0 19 10 1 0 0 0 20 21 2 0 0 0 21 18 1 0 0 0 22 17 2 0 0 0 23 14 1 0 0 0 24 19 1 0 0 0 25 26 1 0 0 0 26 20 1 0 0 0 27 12 1 0 0 0 28 24 2 0 0 0 29 24 1 0 0 0 30 29 2 0 0 0 31 28 1 0 0 0 32 30 1 0 0 0 20 22 1 0 0 0 10 16 1 0 0 0 32 31 2 0 0 0 M END > 8.15490195998574 > 6.54211810326601 $$$$ 11280715082D 1 1.00000 0.00000 0 31 33 0 0 0 999 V2000 10.8292 -0.6042 0.0000 C 0 0 3 0 0 0 0 0 0 10.1250 -1.0250 0.0000 S 0 0 3 0 0 0 0 0 0 11.5542 -1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 10.1292 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 11.5500 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 9.4042 -0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 10.8292 1.0458 0.0000 N 0 0 3 0 0 0 0 0 0 10.7042 -1.6042 0.0000 O 0 0 0 0 0 0 0 0 0 9.5375 -1.6042 0.0000 O 0 0 0 0 0 0 0 0 0 11.5667 -1.8292 0.0000 O 0 0 0 0 0 0 0 0 0 12.2667 -0.5875 0.0000 N 0 0 0 0 0 0 0 0 0 10.1292 0.6250 0.0000 C 0 0 0 0 0 0 0 0 0 11.5500 0.6250 0.0000 C 0 0 0 0 0 0 0 0 0 8.6917 -1.0250 0.0000 C 0 0 0 0 0 0 0 0 0 9.4042 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 10.8292 1.8708 0.0000 C 0 0 0 0 0 0 0 0 0 7.9792 0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 8.6917 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 7.9792 -0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 12.9875 -0.9875 0.0000 O 0 0 0 0 0 0 0 0 0 11.5542 2.2833 0.0000 C 0 0 0 0 0 0 0 0 0 7.2625 0.6333 0.0000 O 0 0 0 0 0 0 0 0 0 6.5500 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 12.2667 1.8625 0.0000 C 0 0 0 0 0 0 0 0 0 11.5542 3.1083 0.0000 C 0 0 0 0 0 0 0 0 0 5.8375 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 5.1167 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 4.4042 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 12.9792 2.2750 0.0000 C 0 0 0 0 0 0 0 0 0 12.2667 3.5208 0.0000 C 0 0 0 0 0 0 0 0 0 12.9792 3.1083 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 1 1 0 0 0 5 1 1 0 0 0 6 2 1 0 0 0 7 13 1 0 0 0 8 2 2 0 0 0 9 2 2 0 0 0 10 3 2 0 0 0 11 3 1 0 0 0 12 4 1 0 0 0 13 5 1 0 0 0 14 6 2 0 0 0 15 6 1 0 0 0 16 7 1 0 0 0 17 18 1 0 0 0 18 15 2 0 0 0 19 14 1 0 0 0 20 11 1 0 0 0 21 16 1 0 0 0 22 17 1 0 0 0 23 22 1 0 0 0 24 21 2 0 0 0 25 21 1 0 0 0 26 23 1 0 0 0 27 26 1 0 0 0 28 27 1 0 0 0 29 24 1 0 0 0 30 25 2 0 0 0 31 30 1 0 0 0 12 7 1 0 0 0 17 19 2 0 0 0 29 31 2 0 0 0 M END > 9 > 5.62342304294349 $$$$ 11280715082D 1 1.00000 0.00000 0 40 43 0 0 0 999 V2000 3.7000 -2.6250 0.0000 C 0 0 3 0 0 0 0 0 0 2.9875 -3.0417 0.0000 S 0 0 3 0 0 0 0 0 0 4.4167 -3.0250 0.0000 C 0 0 0 0 0 0 0 0 0 2.9917 -2.2167 0.0000 C 0 0 0 0 0 0 0 0 0 4.4125 -2.2167 0.0000 C 0 0 0 0 0 0 0 0 0 2.2667 -2.6292 0.0000 C 0 0 0 0 0 0 0 0 0 3.7000 -0.9750 0.0000 N 0 0 3 0 0 0 0 0 0 3.5667 -3.6250 0.0000 O 0 0 0 0 0 0 0 0 0 2.4000 -3.6250 0.0000 O 0 0 0 0 0 0 0 0 0 8.7000 0.2583 0.0000 N 0 0 3 0 0 0 0 0 0 4.4292 -3.8500 0.0000 O 0 0 0 0 0 0 0 0 0 5.1292 -2.6042 0.0000 N 0 0 0 0 0 0 0 0 0 2.9917 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 4.4125 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 3.7000 -0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 10.1250 1.0833 0.0000 O 0 0 0 0 0 0 0 0 0 2.2667 -1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 1.5542 -3.0417 0.0000 C 0 0 0 0 0 0 0 0 0 4.4167 0.2625 0.0000 C 0 0 0 0 0 0 0 0 0 5.1292 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0.8417 -1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 1.5542 -1.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0.8417 -2.6292 0.0000 C 0 0 0 0 0 0 0 0 0 5.8417 0.2583 0.0000 C 0 0 0 0 0 0 0 0 0 5.8500 -3.0042 0.0000 O 0 0 0 0 0 0 0 0 0 6.5542 -0.1542 0.0000 O 0 0 0 0 0 0 0 0 0 7.9875 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 7.2667 0.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0.1250 -1.3875 0.0000 O 0 0 0 0 0 0 0 0 0 8.6917 1.0833 0.0000 C 0 0 0 0 0 0 0 0 0 9.4042 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 5.1250 1.4958 0.0000 C 0 0 0 0 0 0 0 0 0 9.4042 1.4958 0.0000 C 0 0 0 0 0 0 0 0 0 10.1250 0.2583 0.0000 C 0 0 0 0 0 0 0 0 0 4.4125 1.0833 0.0000 C 0 0 0 0 0 0 0 0 0 5.8417 1.0875 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5875 -1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3083 -1.3875 0.0000 C 0 0 0 0 0 0 0 0 0 -2.0208 -1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 -2.7333 -1.3875 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 1 1 0 0 0 5 1 1 0 0 0 6 2 1 0 0 0 7 14 1 0 0 0 8 2 2 0 0 0 9 2 2 0 0 0 10 27 1 0 0 0 11 3 2 0 0 0 12 3 1 0 0 0 13 4 1 0 0 0 14 5 1 0 0 0 15 7 1 0 0 0 16 34 1 0 0 0 17 6 1 0 0 0 18 6 2 0 0 0 19 15 1 0 0 0 20 19 2 0 0 0 21 23 2 0 0 0 22 17 2 0 0 0 23 18 1 0 0 0 24 20 1 0 0 0 25 12 1 0 0 0 26 24 1 0 0 0 27 28 1 0 0 0 28 26 1 0 0 0 29 21 1 0 0 0 30 10 1 0 0 0 31 10 1 0 0 0 32 35 2 0 0 0 33 30 1 0 0 0 34 31 1 0 0 0 35 19 1 0 0 0 36 32 1 0 0 0 37 29 1 0 0 0 38 37 1 0 0 0 39 38 1 0 0 0 40 39 1 0 0 0 13 7 1 0 0 0 22 21 1 0 0 0 24 36 2 0 0 0 33 16 1 0 0 0 M END > 8.69897000433602 > 5.66154350639539 $$$$ 11280715052D 1 1.00000 0.00000 0 31 33 0 0 0 999 V2000 4.6917 -3.3292 0.0000 S 0 0 3 0 0 0 0 0 0 3.8667 -3.2917 0.0000 N 0 0 3 0 0 0 0 0 0 2.6042 -3.9625 0.0000 C 0 0 0 0 0 0 0 0 0 3.4292 -3.9917 0.0000 C 0 0 0 0 0 0 0 0 0 3.8167 -4.7292 0.0000 C 0 0 0 0 0 0 0 0 0 2.2167 -3.2292 0.0000 C 0 0 0 0 0 0 0 0 0 5.5167 -3.3292 0.0000 C 0 0 0 0 0 0 0 0 0 5.1292 -2.6292 0.0000 O 0 0 0 0 0 0 0 0 0 5.0792 -4.0542 0.0000 O 0 0 0 0 0 0 0 0 0 2.1667 -4.6625 0.0000 C 0 0 0 0 0 0 0 0 0 3.4875 -2.5667 0.0000 C 0 0 0 0 0 0 0 0 0 3.3750 -5.4250 0.0000 C 0 0 0 0 0 0 0 0 0 2.6625 -2.5292 0.0000 O 0 0 0 0 0 0 0 0 0 2.5500 -5.3917 0.0000 C 0 0 0 0 0 0 0 0 0 5.1917 -1.2000 0.0000 N 0 0 0 0 0 0 0 0 0 1.3917 -3.2042 0.0000 N 0 0 0 0 0 0 0 0 0 3.9292 -1.8667 0.0000 C 0 0 0 0 0 0 0 0 0 5.9292 -4.0417 0.0000 C 0 0 0 0 0 0 0 0 0 5.9250 -2.6167 0.0000 C 0 0 0 0 0 0 0 0 0 7.1625 -3.3250 0.0000 C 0 0 0 0 0 0 0 0 0 6.7417 -2.6125 0.0000 C 0 0 0 0 0 0 0 0 0 6.7500 -4.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0.9542 -3.9042 0.0000 O 0 0 0 0 0 0 0 0 0 4.6417 -4.7625 0.0000 C 0 0 0 0 0 0 0 0 0 4.7542 -1.9000 0.0000 C 0 0 0 0 0 0 0 0 0 7.9875 -3.3167 0.0000 O 0 0 0 0 0 0 0 0 0 4.8042 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 3.5417 -1.1292 0.0000 C 0 0 0 0 0 0 0 0 0 2.1042 -6.0875 0.0000 C 0 0 0 0 0 0 0 0 0 8.4000 -4.0375 0.0000 C 0 0 0 0 0 0 0 0 0 3.9875 -0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 4 1 0 0 0 4 2 1 0 0 0 5 4 2 0 0 0 6 3 1 0 0 0 7 1 1 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 3 2 0 0 0 11 2 1 0 0 0 12 5 1 0 0 0 13 6 2 0 0 0 14 12 2 0 0 0 15 25 2 0 0 0 16 6 1 0 0 0 17 11 1 0 0 0 18 7 2 0 0 0 19 7 1 0 0 0 20 21 1 0 0 0 21 19 2 0 0 0 22 18 1 0 0 0 23 16 1 0 0 0 24 5 1 0 0 0 25 17 1 0 0 0 26 20 1 0 0 0 27 31 2 0 0 0 28 17 2 0 0 0 29 14 1 0 0 0 30 26 1 0 0 0 31 28 1 0 0 0 22 20 2 0 0 0 10 14 1 0 0 0 15 27 1 0 0 0 M END > 7.95860731484177 > 6.87942606879415 $$$$ 11280714592D 1 1.00000 0.00000 0 29 30 0 0 0 999 V2000 5.5625 -6.8792 0.0000 S 0 0 3 0 0 0 0 0 0 5.0417 -6.5750 0.0000 N 0 0 3 0 0 0 0 0 0 7.6500 -8.0875 0.0000 N 0 3 0 0 0 0 0 0 0 7.1292 -7.7792 0.0000 C 0 0 0 0 0 0 0 0 0 7.1292 -4.7625 0.0000 N 0 3 0 0 0 0 0 0 0 6.0792 -7.1792 0.0000 C 0 0 0 0 0 0 0 0 0 4.5167 -6.8792 0.0000 C 0 0 0 0 0 0 0 0 0 7.1167 -7.1750 0.0000 C 0 0 0 0 0 0 0 0 0 6.6000 -6.8792 0.0000 C 0 0 0 0 0 0 0 0 0 3.9875 -6.5750 0.0000 C 0 0 0 0 0 0 0 0 0 6.6042 -8.0875 0.0000 C 0 0 0 0 0 0 0 0 0 5.2542 -7.4042 0.0000 O 0 0 0 0 0 0 0 0 0 5.8667 -6.3625 0.0000 O 0 0 0 0 0 0 0 0 0 6.6042 -5.0667 0.0000 C 0 0 0 0 0 0 0 0 0 7.6500 -8.6875 0.0000 O 0 5 0 0 0 0 0 0 0 7.6500 -5.0667 0.0000 O 0 5 0 0 0 0 0 0 0 5.0417 -5.9667 0.0000 C 0 0 0 0 0 0 0 0 0 8.1792 -7.7792 0.0000 O 0 0 0 0 0 0 0 0 0 7.1292 -4.1542 0.0000 O 0 0 0 0 0 0 0 0 0 6.0750 -7.7792 0.0000 C 0 0 0 0 0 0 0 0 0 3.4667 -6.8792 0.0000 O 0 0 0 0 0 0 0 0 0 3.9875 -5.9667 0.0000 N 0 0 0 0 0 0 0 0 0 6.6042 -5.6667 0.0000 C 0 0 0 0 0 0 0 0 0 6.0750 -4.7625 0.0000 C 0 0 0 0 0 0 0 0 0 7.6500 -6.8750 0.0000 Cl 0 0 0 0 0 0 0 0 0 5.5625 -5.6667 0.0000 C 0 0 0 0 0 0 0 0 0 5.5625 -5.0667 0.0000 C 0 0 0 0 0 0 0 0 0 6.0792 -5.9667 0.0000 C 0 0 0 0 0 0 0 0 0 3.4667 -5.6667 0.0000 O 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 4 1 0 0 0 4 11 2 0 0 0 5 14 1 0 0 0 6 1 1 0 0 0 7 2 1 0 0 0 8 9 2 0 0 0 9 6 1 0 0 0 10 7 1 0 0 0 11 20 1 0 0 0 12 1 2 0 0 0 13 1 2 0 0 0 14 23 2 0 0 0 15 3 1 0 0 0 16 5 1 0 0 0 17 2 1 0 0 0 18 3 2 0 0 0 19 5 2 0 0 0 20 6 2 0 0 0 21 10 2 0 0 0 22 10 1 0 0 0 23 28 1 0 0 0 24 27 2 0 0 0 25 8 1 0 0 0 26 17 1 0 0 0 27 26 1 0 0 0 28 26 2 0 0 0 29 22 1 0 0 0 8 4 1 0 0 0 14 24 1 0 0 0 M CHG 4 3 1 5 1 15 -1 16 -1 M END > 8 > 8 $$$$ 11280715312D 1 1.00000 0.00000 0 33 35 0 1 0 999 V2000 0.0167 -2.0292 0.0000 N 0 0 3 0 0 0 0 0 0 0.0167 -1.4292 0.0000 S 0 0 3 0 0 0 0 0 0 0.6667 -3.4417 0.0000 N 0 0 3 0 0 0 0 0 0 1.2750 -3.4417 0.0000 C 0 0 0 0 0 0 0 0 0 -0.4708 -2.3792 0.0000 C 0 0 2 0 0 0 0 0 0 0.4875 -4.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0.3167 -2.9542 0.0000 C 0 0 2 0 0 0 0 0 0 1.4542 -4.0042 0.0000 N 0 0 3 0 0 0 0 0 0 0.5042 -2.3792 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2833 -2.9542 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0375 -2.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0.9750 -4.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0.5375 -1.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0.0125 -0.8292 0.0000 O 0 0 0 0 0 0 0 0 0 -0.5708 -1.2750 0.0000 O 0 0 0 0 0 0 0 0 0 1.6250 -2.9542 0.0000 O 0 0 0 0 0 0 0 0 0 0.0250 -4.2042 0.0000 O 0 0 0 0 0 0 0 0 0 -1.1625 -1.6125 0.0000 O 0 0 0 0 0 0 0 0 0 -1.4833 -2.6000 0.0000 N 0 0 0 0 0 0 0 0 0 0.5375 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 1.0542 -1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 2.1542 -4.7792 0.0000 C 0 0 0 0 0 0 0 0 0 2.0292 -4.1917 0.0000 C 0 0 0 0 0 0 0 0 0 2.7250 -4.9667 0.0000 C 0 0 0 0 0 0 0 0 0 1.5792 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 1.0542 -0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 1.5792 -1.1292 0.0000 C 0 0 0 0 0 0 0 0 0 -2.0583 -2.4167 0.0000 O 0 0 0 0 0 0 0 0 0 2.0917 -0.2292 0.0000 O 0 0 0 0 0 0 0 0 0 2.6167 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 3.1292 -0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 3.6500 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 4.1667 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 7 3 1 1 0 0 4 3 1 0 0 0 5 1 1 0 0 0 6 3 1 0 0 0 7 9 1 0 0 0 8 4 1 0 0 0 9 1 1 0 0 0 5 10 1 6 0 0 11 5 1 0 0 0 12 6 1 0 0 0 13 2 1 0 0 0 14 2 2 0 0 0 15 2 2 0 0 0 16 4 2 0 0 0 17 6 2 0 0 0 18 11 2 0 0 0 19 11 1 0 0 0 20 13 1 0 0 0 21 13 2 0 0 0 22 23 1 0 0 0 23 8 1 0 0 0 24 22 2 0 0 0 25 27 2 0 0 0 26 20 2 0 0 0 27 21 1 0 0 0 28 19 1 0 0 0 29 25 1 0 0 0 30 29 1 0 0 0 31 30 1 0 0 0 32 31 1 0 0 0 33 32 1 0 0 0 7 10 1 0 0 0 25 26 1 0 0 0 8 12 1 0 0 0 M END > 9.39794000867204 > 6.31875876262441 $$$$ SciTegic04151115542D 20 20 0 0 0 0 999 V2000 0.8041 -0.3576 0.0000 C 0 0 1.0179 -1.1579 0.0000 C 0 0 1.8164 -1.3713 0.0000 C 0 0 2.4017 -0.7856 0.0000 C 0 0 2.1831 0.0167 0.0000 C 0 0 1.3852 0.2265 0.0000 C 0 0 2.0301 -2.1671 0.0000 O 0 0 1.4787 -2.7794 0.0000 C 0 0 1.1690 1.0215 0.0000 S 0 0 0.3728 0.8043 0.0000 N 0 0 1.2340 1.7541 0.0000 O 0 0 1.9640 1.3002 0.0000 O 0 0 -0.2097 1.3869 0.0000 C 0 0 1 0 0 0 -1.0059 1.1695 0.0000 C 0 0 -1.6181 1.7209 0.0000 N 0 0 -1.1771 0.3636 0.0000 O 0 0 -2.4017 1.4662 0.0000 O 0 0 0.0379 2.1712 0.0000 C 0 0 2 0 0 0 -0.5178 2.7794 0.0000 O 0 0 0.8426 2.3484 0.0000 C 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 3 7 1 0 7 8 1 0 6 9 1 0 9 10 1 0 9 11 2 0 9 12 2 0 13 10 1 1 13 14 1 0 14 15 1 0 14 16 2 0 15 17 1 0 13 18 1 0 18 19 1 6 18 20 1 0 M END > 8.53760200210104 > 6.54211810326601 $$$$ CDK 9/16/09,9:58 27 28 0 0 0 0 0 0 0 0999 V2000 -5.3523 -17.2752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3523 -18.1048 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.6378 -18.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9187 -18.1048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9187 -17.2752 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6378 -16.8582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3569 -16.4502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0657 -17.6897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6389 -16.0331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9251 -15.6196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3541 -15.6216 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3552 -14.7966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2038 -16.8635 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.4928 -16.4623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6118 -16.1463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7884 -17.5762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7904 -16.8804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0799 -16.4800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0713 -15.6628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7792 -15.2476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4868 -15.6504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3532 -15.2564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3462 -14.4314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3718 -14.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0851 -13.6205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8026 -13.2133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5140 -13.6313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13 14 1 0 0 0 0 1 7 1 0 0 0 0 13 15 2 0 0 0 0 1 2 1 0 0 0 0 13 16 2 0 0 0 0 1 8 1 0 0 0 0 14 17 2 0 0 0 0 1 6 1 0 0 0 0 17 18 1 0 0 0 0 6 9 1 6 0 0 0 18 19 2 0 0 0 0 2 3 1 0 0 0 0 19 20 1 0 0 0 0 9 10 2 0 0 0 0 20 21 2 0 0 0 0 21 14 1 0 0 0 0 3 4 1 0 0 0 0 19 22 1 0 0 0 0 9 11 1 0 0 0 0 22 23 1 0 0 0 0 4 5 1 0 0 0 0 23 24 1 0 0 0 0 11 12 1 0 0 0 0 24 25 3 0 0 0 0 5 6 1 0 0 0 0 25 26 1 0 0 0 0 5 13 1 0 0 0 0 26 27 1 0 0 0 0 M END > 8.09691001300806 > 7.48148606012211 $$$$ 11280714502D 1 1.00000 0.00000 0 36 38 0 1 0 999 V2000 5.3625 -2.4292 0.0000 C 0 0 0 0 0 0 0 0 0 6.0917 -2.0417 0.0000 N 0 0 0 0 0 0 0 0 0 3.2167 -2.0292 0.0000 P 0 0 3 0 0 0 0 0 0 4.6417 -2.0292 0.0000 C 0 0 3 0 0 0 0 0 0 6.8125 -2.5000 0.0000 C 0 0 1 0 0 0 0 0 0 6.6417 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 3.9375 -2.4417 0.0000 C 0 0 0 0 0 0 0 0 0 7.6042 -2.2417 0.0000 C 0 0 3 0 0 0 0 0 0 4.6417 -1.2042 0.0000 C 0 0 0 0 0 0 0 0 0 3.2125 -1.2042 0.0000 O 0 0 0 0 0 0 0 0 0 5.3625 -3.2542 0.0000 O 0 0 0 0 0 0 0 0 0 5.8500 -3.5417 0.0000 O 0 0 0 0 0 0 0 0 0 2.4917 -2.4417 0.0000 C 0 0 0 0 0 0 0 0 0 7.2417 -3.8542 0.0000 N 0 0 0 0 0 0 0 0 0 3.2125 -2.8417 0.0000 O 0 0 0 0 0 0 0 0 0 1.7875 -2.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0.3625 -1.2042 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3583 -0.7917 0.0000 C 0 0 0 0 0 0 0 0 0 1.0667 -0.7917 0.0000 C 0 0 0 0 0 0 0 0 0 1.0667 -2.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0.3625 -2.0292 0.0000 C 0 0 0 0 0 0 0 0 0 1.7875 -1.2042 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3583 0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 4.2292 -0.4792 0.0000 C 0 0 3 0 0 0 0 0 0 3.6250 0.5333 0.0000 C 0 0 0 0 0 0 0 0 0 8.2542 -2.7375 0.0000 C 0 0 0 0 0 0 0 0 0 8.3042 -1.8292 0.0000 C 0 0 0 0 0 0 0 0 0 7.6292 -1.4167 0.0000 C 0 0 0 0 0 0 0 0 0 8.0292 -3.6000 0.0000 C 0 0 0 0 0 0 0 0 0 3.4167 -0.2625 0.0000 C 0 0 0 0 0 0 0 0 0 4.4292 0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0708 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0.3667 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0.3667 1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0583 1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3458 1.6833 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 7 1 0 0 0 4 1 1 0 0 0 5 2 1 0 0 0 6 5 1 0 0 0 7 4 1 0 0 0 5 8 1 6 0 0 4 9 1 0 0 0 10 3 2 0 0 0 11 1 2 0 0 0 12 6 2 0 0 0 13 3 1 0 0 0 14 6 1 0 0 0 15 3 1 0 0 0 16 13 1 0 0 0 17 19 1 0 0 0 18 17 1 0 0 0 19 22 2 0 0 0 20 16 2 0 0 0 21 20 1 0 0 0 22 16 1 0 0 0 23 18 1 0 0 0 24 9 1 0 0 0 25 31 1 0 0 0 26 8 1 0 0 0 27 8 1 0 0 0 28 8 1 0 0 0 29 14 1 0 0 0 30 24 1 0 0 0 31 24 1 0 0 0 32 23 2 0 0 0 33 23 1 0 0 0 34 33 2 0 0 0 35 32 1 0 0 0 36 34 1 0 0 0 30 25 1 0 0 0 17 21 2 0 0 0 35 36 2 0 0 0 M END > 6.95860731484177 > 6.74472749489669 $$$$ 11280714582D 1 1.00000 0.00000 0 18 19 0 0 0 999 V2000 3.8750 -0.6292 0.0000 S 0 0 3 0 0 0 0 0 0 3.4750 -1.3542 0.0000 C 0 0 3 0 0 0 0 0 0 4.7000 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 3.4000 0.2208 0.0000 O 0 0 0 0 0 0 0 0 0 4.4000 0.2208 0.0000 O 0 0 0 0 0 0 0 0 0 2.8875 -0.7667 0.0000 C 0 0 0 0 0 0 0 0 0 5.0917 0.1083 0.0000 C 0 0 0 0 0 0 0 0 0 5.1250 -1.3250 0.0000 C 0 0 0 0 0 0 0 0 0 2.2917 -1.2000 0.0000 C 0 0 3 0 0 0 0 0 0 2.0667 -1.9917 0.0000 S 0 0 0 0 0 0 0 0 0 6.3500 -0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 5.9167 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 5.9500 -1.3125 0.0000 C 0 0 0 0 0 0 0 0 0 4.1042 -1.4167 0.0000 C 0 0 0 0 0 0 0 0 0 7.1750 -0.5667 0.0000 O 0 0 0 0 0 0 0 0 0 3.5125 -1.8500 0.0000 C 0 0 0 0 0 0 0 0 0 2.8875 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 7.6000 -1.2750 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 1 2 0 0 0 5 1 2 0 0 0 6 2 1 0 0 0 7 3 1 0 0 0 8 3 2 0 0 0 9 6 1 0 0 0 10 9 1 0 0 0 11 13 2 0 0 0 12 7 2 0 0 0 13 8 1 0 0 0 14 2 1 0 0 0 15 11 1 0 0 0 16 14 1 0 0 0 17 16 1 0 0 0 18 15 1 0 0 0 12 11 1 0 0 0 17 9 1 0 0 0 M END > 7.65757731917779 > 6 $$$$ 11280715002D 1 1.00000 0.00000 0 38 40 0 0 0 999 V2000 5.2667 -5.5750 0.0000 S 0 0 3 0 0 0 0 0 0 7.8625 -8.2792 0.0000 S 0 0 3 0 0 0 0 0 0 4.7417 -5.2667 0.0000 N 0 0 3 0 0 0 0 0 0 7.8625 -7.6750 0.0000 N 0 0 0 0 0 0 0 0 0 6.8292 -3.4625 0.0000 N 0 3 0 0 0 0 0 0 0 7.3417 -7.3750 0.0000 C 0 0 0 0 0 0 0 0 0 4.2167 -5.5750 0.0000 C 0 0 0 0 0 0 0 0 0 3.6917 -5.2667 0.0000 C 0 0 0 0 0 0 0 0 0 5.7792 -5.8750 0.0000 C 0 0 0 0 0 0 0 0 0 5.5750 -5.0542 0.0000 O 0 0 0 0 0 0 0 0 0 4.9667 -6.0917 0.0000 O 0 0 0 0 0 0 0 0 0 6.3167 -3.7667 0.0000 C 0 0 0 0 0 0 0 0 0 8.4667 -8.2792 0.0000 O 0 0 0 0 0 0 0 0 0 7.2542 -8.2792 0.0000 O 0 0 0 0 0 0 0 0 0 7.8542 -8.8792 0.0000 C 0 0 0 0 0 0 0 0 0 7.3375 -6.7667 0.0000 N 0 0 0 0 0 0 0 0 0 7.3625 -3.7667 0.0000 O 0 5 0 0 0 0 0 0 0 4.7417 -4.6667 0.0000 C 0 0 0 0 0 0 0 0 0 6.8292 -2.8542 0.0000 O 0 0 0 0 0 0 0 0 0 6.8167 -7.6792 0.0000 O 0 0 0 0 0 0 0 0 0 3.1792 -5.5750 0.0000 O 0 0 0 0 0 0 0 0 0 3.6917 -4.6667 0.0000 N 0 0 0 0 0 0 0 0 0 6.3000 -5.5750 0.0000 C 0 0 0 0 0 0 0 0 0 5.7792 -6.4667 0.0000 C 0 0 0 0 0 0 0 0 0 6.3167 -4.3667 0.0000 C 0 0 0 0 0 0 0 0 0 5.7875 -3.4625 0.0000 C 0 0 0 0 0 0 0 0 0 6.8167 -6.4667 0.0000 C 0 0 0 0 0 0 0 0 0 5.2667 -4.3667 0.0000 C 0 0 0 0 0 0 0 0 0 6.3000 -6.7667 0.0000 C 0 0 0 0 0 0 0 0 0 6.8167 -5.8667 0.0000 C 0 0 0 0 0 0 0 0 0 5.2667 -3.7667 0.0000 C 0 0 0 0 0 0 0 0 0 5.7875 -4.6667 0.0000 C 0 0 0 0 0 0 0 0 0 3.1792 -4.3667 0.0000 O 0 0 0 0 0 0 0 0 0 7.3375 -9.1792 0.0000 C 0 0 0 0 0 0 0 0 0 8.3792 -9.1792 0.0000 C 0 0 0 0 0 0 0 0 0 8.3750 -9.7792 0.0000 C 0 0 0 0 0 0 0 0 0 7.3292 -9.7792 0.0000 C 0 0 0 0 0 0 0 0 0 7.8500 -10.0792 0.0000 C 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 3 1 1 0 0 0 4 6 1 0 0 0 5 12 1 0 0 0 6 16 1 0 0 0 7 3 1 0 0 0 8 7 1 0 0 0 9 1 1 0 0 0 10 1 2 0 0 0 11 1 2 0 0 0 12 25 2 0 0 0 13 2 2 0 0 0 14 2 2 0 0 0 15 2 1 0 0 0 16 27 1 0 0 0 17 5 1 0 0 0 18 3 1 0 0 0 19 5 2 0 0 0 20 6 2 0 0 0 21 8 2 0 0 0 22 8 1 0 0 0 23 9 1 0 0 0 24 9 2 0 0 0 25 32 1 0 0 0 26 31 2 0 0 0 27 29 2 0 0 0 28 18 1 0 0 0 29 24 1 0 0 0 30 23 2 0 0 0 31 28 1 0 0 0 32 28 2 0 0 0 33 22 1 0 0 0 34 15 2 0 0 0 35 15 1 0 0 0 36 35 2 0 0 0 37 34 1 0 0 0 38 36 1 0 0 0 27 30 1 0 0 0 12 26 1 0 0 0 37 38 2 0 0 0 M CHG 2 5 1 17 -1 M END > 7.82390874094432 > 7.82390874094432 $$$$ 11280715002D 1 1.00000 0.00000 0 23 23 0 0 0 999 V2000 5.7042 -7.3292 0.0000 S 0 0 3 0 0 0 0 0 0 5.1792 -7.0292 0.0000 N 0 0 3 0 0 0 0 0 0 6.2167 -7.6292 0.0000 C 0 0 3 0 0 0 0 0 0 7.2667 -5.2167 0.0000 N 0 3 0 0 0 0 0 0 0 4.6542 -7.3292 0.0000 C 0 0 0 0 0 0 0 0 0 4.1292 -7.0292 0.0000 C 0 0 0 0 0 0 0 0 0 5.4000 -7.8542 0.0000 O 0 0 0 0 0 0 0 0 0 6.0125 -6.8167 0.0000 O 0 0 0 0 0 0 0 0 0 6.7500 -5.5167 0.0000 C 0 0 0 0 0 0 0 0 0 7.7917 -5.5167 0.0000 O 0 5 0 0 0 0 0 0 0 5.1792 -6.4250 0.0000 C 0 0 0 0 0 0 0 0 0 7.2667 -4.6125 0.0000 O 0 0 0 0 0 0 0 0 0 3.6125 -7.3292 0.0000 O 0 0 0 0 0 0 0 0 0 6.2167 -8.2375 0.0000 Cl 0 0 0 0 0 0 0 0 0 6.7417 -7.3250 0.0000 Cl 0 0 0 0 0 0 0 0 0 6.7417 -7.9292 0.0000 Cl 0 0 0 0 0 0 0 0 0 4.1292 -6.4250 0.0000 N 0 0 0 0 0 0 0 0 0 6.2167 -5.2167 0.0000 C 0 0 0 0 0 0 0 0 0 6.7500 -6.1167 0.0000 C 0 0 0 0 0 0 0 0 0 5.7042 -6.1167 0.0000 C 0 0 0 0 0 0 0 0 0 5.7042 -5.5167 0.0000 C 0 0 0 0 0 0 0 0 0 6.2292 -6.4250 0.0000 C 0 0 0 0 0 0 0 0 0 3.6125 -6.1167 0.0000 O 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 9 1 0 0 0 5 2 1 0 0 0 6 5 1 0 0 0 7 1 2 0 0 0 8 1 2 0 0 0 9 19 2 0 0 0 10 4 1 0 0 0 11 2 1 0 0 0 12 4 2 0 0 0 13 6 2 0 0 0 14 3 1 0 0 0 15 3 1 0 0 0 16 3 1 0 0 0 17 6 1 0 0 0 18 21 2 0 0 0 19 22 1 0 0 0 20 11 1 0 0 0 21 20 1 0 0 0 22 20 2 0 0 0 23 17 1 0 0 0 9 18 1 0 0 0 M CHG 2 4 1 10 -1 M END > 7.15490195998574 > 7.61978875828839 $$$$ SciTegic06011109532D 33 35 0 0 0 0 999 V2000 -2.0550 -4.4665 0.0000 C 0 0 -2.8783 -4.4614 0.0000 C 0 0 -3.2924 -5.1707 0.0000 C 0 0 -2.8845 -5.8855 0.0000 C 0 0 -2.0581 -5.8866 0.0000 C 0 0 -1.6477 -5.1767 0.0000 C 0 0 -4.1174 -5.1666 0.0000 F 0 0 -0.8227 -5.1781 0.0000 N 0 0 -0.4140 -5.8983 0.0000 C 0 0 0.4074 -5.9016 0.0000 C 0 0 0.8250 -5.1897 0.0000 N 0 0 0.4150 -4.4726 0.0000 C 0 0 -0.4127 -4.4676 0.0000 C 0 0 1.6500 -5.1942 0.0000 S 0 0 2.0585 -5.9110 0.0000 C 0 0 1.4321 -4.3937 0.0000 O 0 0 2.3583 -4.7751 0.0000 O 0 0 2.8836 -5.9156 0.0000 C 0 0 2 0 0 0 3.3000 -5.2034 0.0000 C 0 0 4.1251 -5.2079 0.0000 C 0 0 1 0 0 0 4.5415 -4.4957 0.0000 C 0 0 4.5336 -5.9246 0.0000 C 0 0 5.3667 -4.5030 0.0000 N 0 0 5.7830 -3.7916 0.0000 C 0 0 5.3744 -3.0739 0.0000 C 0 0 4.5451 -3.0719 0.0000 C 0 0 4.1325 -3.7839 0.0000 N 0 0 5.7899 -2.3610 0.0000 F 0 0 2.4634 -6.6274 0.0000 N 0 0 3.5920 -6.3278 0.0000 C 0 0 1.6384 -6.6196 0.0000 C 0 0 2.8690 -7.3459 0.0000 O 0 0 1.2328 -5.9012 0.0000 O 0 0 14 16 2 0 6 8 1 0 14 17 2 0 8 9 1 0 15 18 1 0 18 19 1 0 4 5 1 0 19 20 1 0 2 3 1 0 20 21 1 0 5 6 2 0 20 22 1 1 6 1 1 0 21 23 2 0 8 13 1 0 23 24 1 0 9 10 1 0 24 25 2 0 10 11 1 0 25 26 1 0 11 12 1 0 26 27 2 0 27 21 1 0 12 13 1 0 25 28 1 0 1 2 2 0 18 29 1 6 11 14 1 0 18 30 1 0 3 7 1 0 29 31 1 0 14 15 1 0 29 32 1 0 3 4 2 0 31 33 2 0 M END > 8.11918640771921 > 6.0087739243075 $$$$ 11280715082D 1 1.00000 0.00000 0 24 25 0 0 0 999 V2000 3.5042 -4.5167 0.0000 S 0 0 3 0 0 0 0 0 0 4.2167 -4.1000 0.0000 C 0 0 3 0 0 0 0 0 0 4.9375 -4.5042 0.0000 C 0 0 0 0 0 0 0 0 0 2.7917 -4.1042 0.0000 C 0 0 0 0 0 0 0 0 0 4.0917 -5.1000 0.0000 O 0 0 0 0 0 0 0 0 0 2.9167 -5.1000 0.0000 O 0 0 0 0 0 0 0 0 0 4.9375 -5.3375 0.0000 O 0 0 0 0 0 0 0 0 0 3.5125 -3.6917 0.0000 C 0 0 0 0 0 0 0 0 0 4.9292 -3.6917 0.0000 C 0 0 0 0 0 0 0 0 0 5.6500 -4.1000 0.0000 N 0 0 0 0 0 0 0 0 0 4.2167 -2.4500 0.0000 O 0 0 0 0 0 0 0 0 0 2.0667 -4.5167 0.0000 C 0 0 0 0 0 0 0 0 0 2.7917 -3.2750 0.0000 C 0 0 0 0 0 0 0 0 0 1.3625 -3.2750 0.0000 C 0 0 0 0 0 0 0 0 0 1.3625 -4.1042 0.0000 C 0 0 0 0 0 0 0 0 0 2.0667 -2.8625 0.0000 C 0 0 0 0 0 0 0 0 0 6.3667 -4.5042 0.0000 O 0 0 0 0 0 0 0 0 0 0.6500 -2.8625 0.0000 O 0 0 0 0 0 0 0 0 0 4.9292 -2.8667 0.0000 C 0 0 0 0 0 0 0 0 0 3.5125 -2.8667 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0708 -3.2792 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7833 -2.8667 0.0000 C 0 0 0 0 0 0 0 0 0 -1.4958 -3.2792 0.0000 C 0 0 0 0 0 0 0 0 0 -2.2083 -2.8667 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 1 1 0 0 0 5 1 2 0 0 0 6 1 2 0 0 0 7 3 2 0 0 0 8 2 1 0 0 0 9 2 1 0 0 0 10 3 1 0 0 0 11 19 1 0 0 0 12 4 2 0 0 0 13 4 1 0 0 0 14 16 1 0 0 0 15 12 1 0 0 0 16 13 2 0 0 0 17 10 1 0 0 0 18 14 1 0 0 0 19 9 1 0 0 0 20 8 1 0 0 0 21 18 1 0 0 0 22 21 1 0 0 0 23 22 1 0 0 0 24 23 1 0 0 0 14 15 2 0 0 0 20 11 1 0 0 0 M END > 8.85387196432176 > 5.86012091359876 $$$$ 11280715322D 1 1.00000 0.00000 0 25 26 0 1 0 999 V2000 3.7292 -2.0625 0.0000 S 0 0 3 0 0 0 0 0 0 3.7292 -2.6625 0.0000 N 0 0 3 0 0 0 0 0 0 3.2500 -3.0125 0.0000 C 0 0 1 0 0 0 0 0 0 4.9792 -4.0042 0.0000 S 0 0 3 0 0 0 0 0 0 2.6792 -2.8292 0.0000 C 0 0 0 0 0 0 0 0 0 4.2167 -3.0125 0.0000 C 0 0 0 0 0 0 0 0 0 4.0292 -3.5875 0.0000 C 0 0 2 0 0 0 0 0 0 3.4292 -3.5875 0.0000 C 0 0 0 0 0 0 0 0 0 4.3875 -4.0667 0.0000 N 0 0 0 0 0 0 0 0 0 4.2542 -1.7625 0.0000 C 0 0 0 0 0 0 0 0 0 3.1500 -1.9042 0.0000 O 0 0 0 0 0 0 0 0 0 3.7250 -1.4625 0.0000 O 0 0 0 0 0 0 0 0 0 4.9792 -3.4042 0.0000 O 0 0 0 0 0 0 0 0 0 5.5625 -3.8500 0.0000 O 0 0 0 0 0 0 0 0 0 2.5542 -2.2417 0.0000 O 0 0 0 0 0 0 0 0 0 2.2292 -3.2292 0.0000 N 0 0 0 0 0 0 0 0 0 4.7750 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 4.2542 -1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 5.3375 -4.4917 0.0000 C 0 0 0 0 0 0 0 0 0 5.2917 -1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 5.2917 -1.7625 0.0000 C 0 0 0 0 0 0 0 0 0 4.7667 -0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 1.6625 -3.0417 0.0000 O 0 0 0 0 0 0 0 0 0 5.8125 -0.8625 0.0000 O 0 0 0 0 0 0 0 0 0 6.3292 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 9 1 0 0 0 5 3 1 0 0 0 6 2 1 0 0 0 7 6 1 0 0 0 3 8 1 6 0 0 7 9 1 1 0 0 10 1 1 0 0 0 11 1 2 0 0 0 12 1 2 0 0 0 13 4 2 0 0 0 14 4 2 0 0 0 15 5 2 0 0 0 16 5 1 0 0 0 17 10 2 0 0 0 18 10 1 0 0 0 19 4 1 0 0 0 20 22 1 0 0 0 21 17 1 0 0 0 22 18 2 0 0 0 23 16 1 0 0 0 24 20 1 0 0 0 25 24 1 0 0 0 20 21 2 0 0 0 7 8 1 0 0 0 M END > 8.69897000433602 > 6.58502665202918 $$$$ 11280715442D 1 1.00000 0.00000 0 39 42 0 0 0 999 V2000 -0.8083 0.5750 0.0000 S 0 0 3 0 0 0 0 0 0 -0.8333 -0.2500 0.0000 N 0 0 3 0 0 0 0 0 0 -1.5083 -0.7000 0.0000 C 0 0 3 0 0 0 0 0 0 -0.9750 -2.0667 0.0000 N 0 0 3 0 0 0 0 0 0 0.2375 -1.2542 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1708 -1.9542 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0458 -0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5750 -1.5125 0.0000 C 0 0 0 0 0 0 0 0 0 -2.2000 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 2.2750 -1.9542 0.0000 N 0 0 3 0 0 0 0 0 0 -1.2208 -2.8417 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7833 1.3875 0.0000 C 0 0 0 0 0 0 0 0 0 1.4542 -1.9542 0.0000 C 0 0 0 0 0 0 0 0 0 1.0542 -1.2542 0.0000 C 0 0 0 0 0 0 0 0 0 -1.6208 0.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0.0042 0.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0.0417 5.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0.0667 5.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0.2375 -2.6542 0.0000 C 0 0 0 0 0 0 0 0 0 3.9042 -1.9625 0.0000 N 0 0 3 0 0 0 0 0 0 -2.2000 0.5333 0.0000 O 0 0 0 0 0 0 0 0 0 1.0542 -2.6542 0.0000 C 0 0 0 0 0 0 0 0 0 2.6750 -1.2542 0.0000 C 0 0 0 0 0 0 0 0 0 2.6750 -2.6667 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6708 -3.4500 0.0000 O 0 0 0 0 0 0 0 0 0 -2.9208 -0.6792 0.0000 N 0 0 0 0 0 0 0 0 0 -0.0583 1.7833 0.0000 C 0 0 0 0 0 0 0 0 0 -1.4708 1.8208 0.0000 C 0 0 0 0 0 0 0 0 0 3.4917 -1.2542 0.0000 C 0 0 0 0 0 0 0 0 0 3.4875 -2.6667 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7208 3.0208 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0333 2.6000 0.0000 C 0 0 0 0 0 0 0 0 0 -1.4500 2.6458 0.0000 C 0 0 0 0 0 0 0 0 0 -3.6208 -0.2750 0.0000 O 0 0 0 0 0 0 0 0 0 0.0167 4.2167 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7000 3.8375 0.0000 O 0 0 0 0 0 0 0 0 0 -2.0083 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 4.7167 -1.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0.0917 6.6750 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 8 1 0 0 0 5 7 1 0 0 0 6 5 2 0 0 0 7 2 1 0 0 0 8 3 1 0 0 0 9 3 1 0 0 0 10 13 1 0 0 0 11 4 1 0 0 0 12 1 1 0 0 0 13 14 2 0 0 0 14 5 1 0 0 0 15 1 2 0 0 0 16 1 2 0 0 0 17 35 1 0 0 0 18 17 3 0 0 0 19 6 1 0 0 0 20 30 1 0 0 0 21 9 2 0 0 0 22 13 1 0 0 0 23 10 1 0 0 0 24 10 1 0 0 0 25 11 2 0 0 0 26 9 1 0 0 0 27 12 2 0 0 0 28 12 1 0 0 0 29 23 1 0 0 0 30 24 1 0 0 0 31 33 1 0 0 0 32 27 1 0 0 0 33 28 2 0 0 0 34 26 1 0 0 0 35 36 1 0 0 0 36 31 1 0 0 0 37 11 1 0 0 0 38 20 1 0 0 0 39 18 1 0 0 0 32 31 2 0 0 0 4 6 1 0 0 0 19 22 2 0 0 0 29 20 1 0 0 0 M END > 7.67778070526608 > 6.0695604052333 $$$$ 11280715202D 1 1.00000 0.00000 0 32 34 0 1 0 999 V2000 1.7542 -1.2625 0.0000 S 0 0 3 0 0 0 0 0 0 1.7542 -0.4375 0.0000 N 0 0 3 0 0 0 0 0 0 2.4667 -0.0167 0.0000 C 0 0 2 0 0 0 0 0 0 1.7417 1.2208 0.0000 N 0 0 3 0 0 0 0 0 0 2.4625 0.8083 0.0000 C 0 0 1 0 0 0 0 0 0 3.1792 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 1.0292 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 1.7375 2.0458 0.0000 C 0 0 0 0 0 0 0 0 0 1.0250 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 1.7625 -2.0875 0.0000 C 0 0 0 0 0 0 0 0 0 2.4750 -0.8500 0.0000 O 0 0 0 0 0 0 0 0 0 1.0417 -0.8542 0.0000 O 0 0 0 0 0 0 0 0 0 3.1917 -1.2417 0.0000 O 0 0 0 0 0 0 0 0 0 2.4417 2.4625 0.0000 O 0 0 0 0 0 0 0 0 0 3.9000 -0.0042 0.0000 N 0 0 0 0 0 0 0 0 0 2.4792 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 1.0500 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 1.7625 -4.5625 0.0000 O 0 0 0 0 0 0 0 0 0 1.7625 -3.7417 0.0000 C 0 0 0 0 0 0 0 0 0 4.6167 -3.7417 0.0000 C 0 0 0 0 0 0 0 0 0 3.1917 -4.5625 0.0000 C 0 0 0 0 0 0 0 0 0 3.1750 1.2250 0.0000 C 0 0 0 0 0 0 0 0 0 2.4750 -4.9750 0.0000 C 0 0 0 0 0 0 0 0 0 2.4792 -3.3292 0.0000 C 0 0 0 0 0 0 0 0 0 1.0500 -3.3292 0.0000 C 0 0 0 0 0 0 0 0 0 5.3292 -3.3250 0.0000 F 0 0 0 0 0 0 0 0 0 4.6167 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 3.8917 -3.3292 0.0000 C 0 0 0 0 0 0 0 0 0 4.6167 -4.5667 0.0000 C 0 0 0 0 0 0 0 0 0 3.1875 -3.7417 0.0000 C 0 0 0 0 0 0 0 0 0 3.9000 -4.9792 0.0000 C 0 0 0 0 0 0 0 0 0 1.0167 2.4583 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 9 1 0 0 0 5 3 1 0 0 0 3 6 1 6 0 0 7 2 1 0 0 0 8 4 1 0 0 0 9 7 1 0 0 0 10 1 1 0 0 0 11 1 2 0 0 0 12 1 2 0 0 0 13 6 2 0 0 0 14 8 2 0 0 0 15 6 1 0 0 0 16 10 2 0 0 0 17 10 1 0 0 0 18 19 1 0 0 0 19 25 1 0 0 0 20 29 2 0 0 0 21 23 1 0 0 0 5 22 1 1 0 0 23 18 1 0 0 0 24 16 1 0 0 0 25 17 2 0 0 0 26 20 1 0 0 0 27 15 1 0 0 0 28 30 2 0 0 0 29 31 1 0 0 0 30 21 1 0 0 0 31 21 2 0 0 0 32 8 1 0 0 0 19 24 2 0 0 0 5 4 1 0 0 0 28 20 1 0 0 0 M END > 8.52287874528034 > 5.76955107862173 $$$$ 11280715202D 1 1.00000 0.00000 0 28 30 0 0 0 999 V2000 -1.4708 1.4375 0.0000 S 0 0 3 0 0 0 0 0 0 -2.9083 1.4500 0.0000 C 0 0 3 0 0 0 0 0 0 -2.1958 1.8625 0.0000 N 0 0 0 0 0 0 0 0 0 -3.6208 1.8625 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7500 1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0458 2.1583 0.0000 O 0 0 0 0 0 0 0 0 0 -1.8958 0.7208 0.0000 O 0 0 0 0 0 0 0 0 0 -3.6208 2.6958 0.0000 O 0 0 0 0 0 0 0 0 0 -2.9083 -0.2125 0.0000 S 0 0 0 0 0 0 0 0 0 -4.3333 1.4500 0.0000 N 0 0 0 0 0 0 0 0 0 -3.6250 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 -2.1875 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 1.3917 -0.2167 0.0000 O 0 0 0 0 0 0 0 0 0 -0.7500 0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0375 1.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0.6792 0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 1.3917 -1.0542 0.0000 C 0 0 0 0 0 0 0 0 0 1.3917 -2.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0.6792 1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0375 -0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 1.3875 -3.5250 0.0000 F 0 0 0 0 0 0 0 0 0 -4.3333 0.6208 0.0000 O 0 0 0 0 0 0 0 0 0 2.1042 -1.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0.6750 -1.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0.6750 -2.2875 0.0000 C 0 0 0 0 0 0 0 0 0 2.1042 -2.2792 0.0000 C 0 0 0 0 0 0 0 0 0 -2.1958 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 -3.6250 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 3 1 1 0 0 0 4 2 1 0 0 0 5 1 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 4 2 0 0 0 9 27 1 0 0 0 10 4 1 0 0 0 11 2 1 0 0 0 12 2 1 0 0 0 13 16 1 0 0 0 14 5 2 0 0 0 15 5 1 0 0 0 16 19 1 0 0 0 17 13 1 0 0 0 18 25 2 0 0 0 19 15 2 0 0 0 20 14 1 0 0 0 21 18 1 0 0 0 22 10 1 0 0 0 23 17 1 0 0 0 24 17 2 0 0 0 25 24 1 0 0 0 26 23 2 0 0 0 27 12 1 0 0 0 28 11 1 0 0 0 16 20 2 0 0 0 9 28 1 0 0 0 18 26 1 0 0 0 M END > 8.82390874094432 > 6.1249387366083 $$$$ SciTegic01161211262D 38 40 0 0 0 0 999 V2000 8.1811 -14.8625 0.0000 C 0 0 2 0 0 0 8.8956 -15.2750 0.0000 C 0 0 1 0 0 0 8.1811 -14.0375 0.0000 C 0 0 8.8956 -13.6250 0.0000 C 0 0 8.8956 -12.8000 0.0000 C 0 0 7.4667 -15.2750 0.0000 C 0 0 6.7522 -14.8625 0.0000 N 0 0 7.4667 -16.1000 0.0000 O 0 0 6.0377 -15.2750 0.0000 O 0 0 8.8956 -16.1000 0.0000 C 0 0 9.6101 -14.8625 0.0000 C 0 0 10.3249 -15.2746 0.0000 N 0 0 9.6101 -14.0375 0.0000 O 0 0 9.6101 -16.5125 0.0000 C 0 0 9.6101 -17.3375 0.0000 C 0 0 10.3246 -16.1000 0.0000 C 0 0 10.9962 -14.7950 0.0000 C 0 0 2 0 0 0 11.7447 -15.2016 0.0000 C 0 0 12.4817 -14.8726 0.0000 N 0 0 10.8596 -13.9784 0.0000 C 0 0 11.4205 -13.3759 0.0000 C 0 0 12.2769 -13.4416 0.0000 C 0 0 12.7196 -14.0970 0.0000 C 0 0 11.7125 -16.0259 0.0000 O 0 0 13.1651 -15.3348 0.0000 C 0 0 13.9070 -14.9740 0.0000 C 0 0 14.5868 -15.4380 0.0000 C 0 0 15.3282 -15.0779 0.0000 C 0 0 15.3873 -14.2541 0.0000 C 0 0 14.6988 -13.7918 0.0000 C 0 0 13.9602 -14.1545 0.0000 C 0 0 16.0114 -15.5404 0.0000 O 0 0 16.7535 -15.1800 0.0000 C 0 0 17.4350 -15.6434 0.0000 C 0 0 18.1765 -15.2836 0.0000 C 0 0 18.2360 -14.4599 0.0000 C 0 0 17.5478 -13.9972 0.0000 C 0 0 16.8090 -14.3596 0.0000 C 0 0 2 11 1 0 1 6 1 0 17 18 1 0 18 19 1 0 17 20 1 0 21 22 1 0 22 23 1 0 23 19 1 0 20 21 1 0 11 12 1 0 18 24 2 0 1 2 1 0 19 25 1 0 11 13 2 0 25 26 1 0 6 7 1 0 26 27 2 0 10 14 1 0 27 28 1 0 3 4 1 0 28 29 2 0 14 15 1 0 29 30 1 0 6 8 2 0 30 31 2 0 31 26 1 0 14 16 1 0 28 32 1 0 32 33 1 0 17 12 1 1 33 34 2 0 7 9 1 0 34 35 1 0 4 5 1 0 35 36 2 0 2 10 1 6 36 37 1 0 1 3 1 1 37 38 2 0 38 33 1 0 M END > 8 > 7.67778070526608 $$$$ 11280715312D 1 1.00000 0.00000 0 32 34 0 1 0 999 V2000 0.0167 -2.0292 0.0000 N 0 0 3 0 0 0 0 0 0 0.0167 -1.4292 0.0000 S 0 0 3 0 0 0 0 0 0 0.6667 -3.4417 0.0000 N 0 0 3 0 0 0 0 0 0 1.2750 -3.4417 0.0000 C 0 0 0 0 0 0 0 0 0 1.4542 -4.0042 0.0000 N 0 0 0 0 0 0 0 0 0 -0.4708 -2.3792 0.0000 C 0 0 2 0 0 0 0 0 0 0.4875 -4.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0.3167 -2.9542 0.0000 C 0 0 2 0 0 0 0 0 0 0.5042 -2.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0.9750 -4.3625 0.0000 C 0 0 3 0 0 0 0 0 0 -0.2833 -2.9542 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0375 -2.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0.5375 -1.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0.0125 -0.8292 0.0000 O 0 0 0 0 0 0 0 0 0 -0.5708 -1.2750 0.0000 O 0 0 0 0 0 0 0 0 0 1.6250 -2.9542 0.0000 O 0 0 0 0 0 0 0 0 0 0.0250 -4.2042 0.0000 O 0 0 0 0 0 0 0 0 0 -1.1625 -1.6125 0.0000 O 0 0 0 0 0 0 0 0 0 -1.4833 -2.6000 0.0000 N 0 0 0 0 0 0 0 0 0 0.9750 -4.9625 0.0000 S 0 0 0 0 0 0 0 0 0 1.0542 -1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0.5375 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 1.5792 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 1.0542 -0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 1.5792 -1.1292 0.0000 C 0 0 0 0 0 0 0 0 0 -2.0583 -2.4167 0.0000 O 0 0 0 0 0 0 0 0 0 2.0917 -0.2292 0.0000 O 0 0 0 0 0 0 0 0 0 0.4542 -5.2625 0.0000 C 0 0 0 0 0 0 0 0 0 2.6167 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 3.1292 -0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 3.6500 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 4.1667 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 8 3 1 1 0 0 4 3 1 0 0 0 5 4 1 0 0 0 6 1 1 0 0 0 7 3 1 0 0 0 8 9 1 0 0 0 9 1 1 0 0 0 10 7 1 0 0 0 6 11 1 6 0 0 12 6 1 0 0 0 13 2 1 0 0 0 14 2 2 0 0 0 15 2 2 0 0 0 16 4 2 0 0 0 17 7 2 0 0 0 18 12 2 0 0 0 19 12 1 0 0 0 20 10 1 0 0 0 21 13 2 0 0 0 22 13 1 0 0 0 23 24 1 0 0 0 24 22 2 0 0 0 25 21 1 0 0 0 26 19 1 0 0 0 27 23 1 0 0 0 28 20 1 0 0 0 29 27 1 0 0 0 30 29 1 0 0 0 31 30 1 0 0 0 32 31 1 0 0 0 8 11 1 0 0 0 23 25 2 0 0 0 5 10 1 0 0 0 M END > 9.30102999566398 > 6.1249387366083 $$$$ 11280715252D 1 1.00000 0.00000 0 38 42 0 1 0 999 V2000 1.1542 -3.6042 0.0000 N 0 0 3 0 0 0 0 0 0 1.1917 -2.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0.3667 -3.8292 0.0000 C 0 0 0 0 0 0 0 0 0 4.6917 -4.1542 0.0000 S 0 0 3 0 0 0 0 0 0 3.2292 -4.3167 0.0000 C 0 0 2 0 0 0 0 0 0 -0.0875 -3.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0.4250 -2.5042 0.0000 C 0 0 0 0 0 0 0 0 0 1.8167 -4.1167 0.0000 C 0 0 0 0 0 0 0 0 0 3.9125 -3.8667 0.0000 C 0 0 2 0 0 0 0 0 0 2.5792 -3.8125 0.0000 C 0 0 2 0 0 0 0 0 0 3.2042 -5.1500 0.0000 C 0 0 0 0 0 0 0 0 0 3.6875 -3.0667 0.0000 C 0 0 0 0 0 0 0 0 0 1.8917 -2.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0.0792 -4.6042 0.0000 O 0 0 0 0 0 0 0 0 0 4.4000 -4.9375 0.0000 O 0 0 0 0 0 0 0 0 0 5.4667 -4.4417 0.0000 O 0 0 0 0 0 0 0 0 0 4.9875 -3.3792 0.0000 C 0 0 0 0 0 0 0 0 0 2.8625 -3.0375 0.0000 C 0 0 0 0 0 0 0 0 0 6.6667 -0.9167 0.0000 C 0 0 0 0 0 0 0 0 0 6.9500 -0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 3.9125 -5.5875 0.0000 O 0 0 0 0 0 0 0 0 0 5.8542 -1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 7.1917 -1.5667 0.0000 C 0 0 0 0 0 0 0 0 0 7.7542 -0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 6.4167 0.4833 0.0000 C 0 0 0 0 0 0 0 0 0 2.4792 -5.5417 0.0000 O 0 0 0 0 0 0 0 0 0 7.5167 1.3958 0.0000 C 0 0 0 0 0 0 0 0 0 6.0917 -2.4667 0.0000 C 0 0 0 0 0 0 0 0 0 5.8000 -3.2417 0.0000 C 0 0 0 0 0 0 0 0 0 6.7042 1.2583 0.0000 C 0 0 0 0 0 0 0 0 0 8.0417 0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 6.9042 -2.3292 0.0000 C 0 0 0 0 0 0 0 0 0 5.5667 -1.8292 0.0000 C 0 0 0 0 0 0 0 0 0 7.8000 2.1833 0.0000 Cl 0 0 0 0 0 0 0 0 0 -0.9083 -3.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0.1250 -1.7375 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6958 -1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 -1.2083 -2.2542 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 9 4 1 6 0 0 5 10 1 0 0 0 6 3 1 0 0 0 7 2 1 0 0 0 8 1 1 0 0 0 9 5 1 0 0 0 10 8 1 6 0 0 5 11 1 1 0 0 12 18 1 0 0 0 13 2 2 0 0 0 14 3 2 0 0 0 15 4 2 0 0 0 16 4 2 0 0 0 17 4 1 0 0 0 18 10 1 0 0 0 19 22 1 0 0 0 20 19 1 0 0 0 21 11 2 0 0 0 22 33 2 0 0 0 23 32 1 0 0 0 24 20 2 0 0 0 25 20 1 0 0 0 26 11 1 0 0 0 27 30 1 0 0 0 28 29 1 0 0 0 29 17 1 0 0 0 30 25 2 0 0 0 31 24 1 0 0 0 32 28 2 0 0 0 33 28 1 0 0 0 34 27 1 0 0 0 35 6 1 0 0 0 36 7 1 0 0 0 37 36 2 0 0 0 38 35 2 0 0 0 6 7 2 0 0 0 9 12 1 0 0 0 37 38 1 0 0 0 23 19 2 0 0 0 31 27 2 0 0 0 M END > 6.09258863922541 > 5.26760624017703 $$$$ 11280715072D 1 1.00000 0.00000 0 41 43 0 1 0 999 V2000 5.3792 -2.5917 0.0000 N 0 0 0 0 0 0 0 0 0 4.6667 -3.0125 0.0000 C 0 0 0 0 0 0 0 0 0 2.5250 -2.6125 0.0000 P 0 0 3 0 0 0 0 0 0 3.9500 -2.6042 0.0000 C 0 0 3 0 0 0 0 0 0 6.0917 -3.0042 0.0000 C 0 0 2 0 0 0 0 0 0 6.8042 -2.5875 0.0000 C 0 0 0 0 0 0 0 0 0 3.2375 -3.0167 0.0000 C 0 0 0 0 0 0 0 0 0 6.1000 -3.8292 0.0000 C 0 0 3 0 0 0 0 0 0 -1.7625 -1.8042 0.0000 C 0 0 0 0 0 0 0 0 0 2.5167 -1.7875 0.0000 O 0 0 0 0 0 0 0 0 0 4.6667 -3.8375 0.0000 O 0 0 0 0 0 0 0 0 0 -1.0500 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 3.9417 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 6.8042 -1.7625 0.0000 O 0 0 0 0 0 0 0 0 0 1.8125 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4833 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 7.5250 -3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 2.5167 -3.4375 0.0000 O 0 0 0 0 0 0 0 0 0 -0.3333 -1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 1.0917 -2.6167 0.0000 C 0 0 0 0 0 0 0 0 0 4.6542 -1.3625 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3333 -2.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0.3667 -1.3792 0.0000 C 0 0 0 0 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1 0 4 7 1 0 14 15 1 0 3 4 2 0 14 16 2 0 7 8 1 0 14 17 2 0 15 18 1 0 8 9 2 0 4 5 1 0 9 10 1 0 2 3 1 0 15 22 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 10 11 2 0 22 23 1 1 5 6 2 0 23 24 1 0 11 12 1 0 23 25 2 0 6 1 1 0 24 26 1 0 12 13 2 0 21 27 1 0 13 8 1 0 21 28 1 0 M END > 10.4202164033832 > 8.30980391997149 $$$$ 11280714502D 1 1.00000 0.00000 0 39 41 0 1 0 999 V2000 4.4042 -1.5792 0.0000 N 0 0 0 0 0 0 0 0 0 3.6750 -1.9625 0.0000 C 0 0 0 0 0 0 0 0 0 1.5292 -1.5625 0.0000 P 0 0 3 0 0 0 0 0 0 2.9542 -1.5625 0.0000 C 0 0 3 0 0 0 0 0 0 5.1250 -2.0292 0.0000 C 0 0 1 0 0 0 0 0 0 4.9542 -2.8292 0.0000 C 0 0 0 0 0 0 0 0 0 2.2500 -1.9750 0.0000 C 0 0 0 0 0 0 0 0 0 5.9167 -1.7750 0.0000 C 0 0 3 0 0 0 0 0 0 1.5250 -0.7375 0.0000 O 0 0 0 0 0 0 0 0 0 3.6750 -2.7875 0.0000 O 0 0 0 0 0 0 0 0 0 2.9542 -0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 4.1625 -3.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0.8042 -1.9792 0.0000 C 0 0 0 0 0 0 0 0 0 5.5542 -3.3917 0.0000 N 0 0 0 0 0 0 0 0 0 1.5250 -2.3750 0.0000 O 0 0 0 0 0 0 0 0 0 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0 0 0 2 1 1 0 0 0 3 7 1 0 0 0 4 2 1 0 0 0 5 1 1 0 0 0 6 5 1 0 0 0 7 4 1 0 0 0 5 8 1 6 0 0 9 3 2 0 0 0 10 2 2 0 0 0 4 11 1 0 0 0 12 6 2 0 0 0 13 3 1 0 0 0 14 6 1 0 0 0 15 3 1 0 0 0 16 13 1 0 0 0 17 23 1 0 0 0 18 17 1 0 0 0 19 11 1 0 0 0 20 16 2 0 0 0 21 20 1 0 0 0 22 16 1 0 0 0 23 22 2 0 0 0 24 18 1 0 0 0 25 19 1 0 0 0 26 8 1 0 0 0 27 8 1 0 0 0 28 8 1 0 0 0 29 14 1 0 0 0 30 24 2 0 0 0 31 24 1 0 0 0 32 25 2 0 0 0 33 25 1 0 0 0 34 31 2 0 0 0 35 32 1 0 0 0 36 33 2 0 0 0 37 30 1 0 0 0 38 34 1 0 0 0 39 36 1 0 0 0 35 39 2 0 0 0 17 21 2 0 0 0 37 38 2 0 0 0 M END > 7.85387196432176 > 6.16115090926275 $$$$ 11280715292D 1 1.00000 0.00000 0 27 28 0 1 0 999 V2000 6.1792 -8.7917 0.0000 S 0 0 3 0 0 0 0 0 0 6.1792 -9.6167 0.0000 N 0 0 3 0 0 0 0 0 0 5.4292 -9.9667 0.0000 C 0 0 1 0 0 0 0 0 0 4.7917 -9.4500 0.0000 C 0 0 0 0 0 0 0 0 0 5.2292 -10.7792 0.0000 C 0 0 3 0 0 0 0 0 0 6.1792 -7.9667 0.0000 C 0 0 0 0 0 0 0 0 0 5.3542 -8.7875 0.0000 O 0 0 0 0 0 0 0 0 0 7.0042 -8.7917 0.0000 O 0 0 0 0 0 0 0 0 0 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2.0067 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3053 -0.4805 0.0000 S 0 0 3 0 0 0 0 0 0 -0.8922 0.2351 0.0000 O 0 0 0 0 0 0 0 0 0 -1.7172 -1.1939 0.0000 O 0 0 0 0 0 0 0 0 0 -1.0666 -1.8395 0.0000 C 0 0 0 0 0 0 0 0 0 -1.8790 -1.6962 0.0000 O 0 0 0 0 0 0 0 0 0 2.0656 -0.6017 0.0000 C 0 0 0 0 0 0 0 0 0 2.5905 -1.2382 0.0000 C 0 0 0 0 0 0 0 0 0 2.2983 -2.0075 0.0000 C 0 0 0 0 0 0 0 0 0 2.8217 -2.6442 0.0000 C 0 0 0 0 0 0 0 0 0 3.6364 -2.5089 0.0000 C 0 0 0 0 0 0 0 0 0 3.9250 -1.7319 0.0000 C 0 0 0 0 0 0 0 0 0 3.3996 -1.0982 0.0000 C 0 0 0 0 0 0 0 0 0 4.1614 -3.1453 0.0000 Br 0 0 0 0 0 0 0 0 0 -3.4425 2.4217 0.0000 C 0 0 0 0 0 0 0 0 0 -2.7280 2.8342 0.0000 C 0 0 0 0 0 0 0 0 0 -2.0135 3.2467 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3147 -3.2467 0.0000 O 0 0 0 0 0 0 0 0 0 -0.7844 -2.6147 0.0000 N 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 6 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 7 8 2 0 0 0 8 9 1 0 0 0 9 10 2 0 0 0 10 11 1 0 0 0 11 12 2 0 0 0 12 7 1 0 0 0 7 13 1 0 0 0 13 14 1 0 0 0 10 15 1 0 0 0 15 16 2 0 0 0 15 17 2 0 0 0 15 1 1 0 0 0 1 18 1 0 0 0 18 19 2 0 0 0 4 20 1 0 0 0 20 21 1 0 0 0 21 22 2 0 0 0 22 23 1 0 0 0 23 24 2 0 0 0 24 25 1 0 0 0 25 26 2 0 0 0 26 21 1 0 0 0 24 27 1 0 0 0 14 28 1 0 0 0 28 29 3 0 0 0 29 30 1 0 0 0 18 32 1 0 0 0 31 32 1 0 0 0 M END > 6.80966830182971 > 5.4721124340473 $$$$ 11280715212D 1 1.00000 0.00000 0 28 30 0 0 0 999 V2000 -1.5333 1.6583 0.0000 S 0 0 3 0 0 0 0 0 0 -2.9625 1.6708 0.0000 C 0 0 3 0 0 0 0 0 0 -2.2500 2.0833 0.0000 N 0 0 0 0 0 0 0 0 0 -3.6833 2.0833 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8083 1.2250 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1083 2.3750 0.0000 O 0 0 0 0 0 0 0 0 0 -1.9583 0.9333 0.0000 O 0 0 0 0 0 0 0 0 0 -3.6833 2.9083 0.0000 O 0 0 0 0 0 0 0 0 0 -4.3958 1.6708 0.0000 N 0 0 0 0 0 0 0 0 0 2.0500 -1.2542 0.0000 C 0 0 0 0 0 0 0 0 0 1.3292 -0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 -3.6833 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 -2.2458 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 1.3375 -0.0125 0.0000 O 0 0 0 0 0 0 0 0 0 -2.9708 0.0083 0.0000 O 0 0 0 0 0 0 0 0 0 -0.0958 1.6458 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8083 0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0.6167 0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 2.0500 -2.0792 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0958 -0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0.6167 1.2333 0.0000 C 0 0 0 0 0 0 0 0 0 2.7625 -2.4917 0.0000 F 0 0 0 0 0 0 0 0 0 -4.3958 0.8375 0.0000 O 0 0 0 0 0 0 0 0 0 -3.6833 0.4250 0.0000 C 0 0 0 0 0 0 0 0 0 -2.2500 0.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0.6125 -2.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0.6125 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 1.3292 -2.4917 0.0000 C 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 3 1 1 0 0 0 4 2 1 0 0 0 5 1 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 4 2 0 0 0 9 4 1 0 0 0 10 11 1 0 0 0 11 14 1 0 0 0 12 2 1 0 0 0 13 2 1 0 0 0 14 18 1 0 0 0 15 25 1 0 0 0 16 5 1 0 0 0 17 5 2 0 0 0 18 20 2 0 0 0 19 10 2 0 0 0 20 17 1 0 0 0 21 16 2 0 0 0 22 19 1 0 0 0 23 9 1 0 0 0 24 12 1 0 0 0 25 13 1 0 0 0 26 27 1 0 0 0 27 11 2 0 0 0 28 26 2 0 0 0 21 18 1 0 0 0 15 24 1 0 0 0 28 19 1 0 0 0 M END > 9.2518119729938 > 6.95860731484177 $$$$ 11280715242D 1 1.00000 0.00000 0 29 31 0 0 0 999 V2000 4.8750 -1.7375 0.0000 S 0 0 3 0 0 0 0 0 0 4.8750 -2.3375 0.0000 N 0 0 3 0 0 0 0 0 0 4.3625 -2.6375 0.0000 C 0 0 3 0 0 0 0 0 0 4.8750 -3.5375 0.0000 N 0 0 3 0 0 0 0 0 0 4.8750 -4.1292 0.0000 C 0 0 0 0 0 0 0 0 0 4.3625 -3.2375 0.0000 C 0 0 0 0 0 0 0 0 0 3.8417 -2.3375 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -2.6375 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -4.4375 0.0000 C 0 0 0 0 0 0 0 0 0 4.3250 -1.3500 0.0000 O 0 0 0 0 0 0 0 0 0 5.5875 -2.1500 0.0000 O 0 0 0 0 0 0 0 0 0 5.3917 -3.2375 0.0000 C 0 0 0 0 0 0 0 0 0 4.3542 -4.4292 0.0000 O 0 0 0 0 0 0 0 0 0 3.8375 -1.7375 0.0000 O 0 0 0 0 0 0 0 0 0 3.3167 -2.6375 0.0000 N 0 0 0 0 0 0 0 0 0 6.4292 -4.4292 0.0000 N 0 0 0 0 0 0 0 0 0 5.3917 -0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 5.9125 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 5.9125 -4.1292 0.0000 C 0 0 0 0 0 0 0 0 0 6.4292 -0.8292 0.0000 C 0 0 0 0 0 0 0 0 0 5.9042 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 6.4292 -1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 2.8000 -2.3375 0.0000 O 0 0 0 0 0 0 0 0 0 6.9500 -0.5292 0.0000 O 0 0 0 0 0 0 0 0 0 5.3917 -5.0375 0.0000 C 0 0 0 0 0 0 0 0 0 6.4292 -5.0375 0.0000 C 0 0 0 0 0 0 0 0 0 7.4667 -0.8292 0.0000 C 0 0 0 0 0 0 0 0 0 5.9042 -5.3375 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 13 1 0 0 0 5 4 1 0 0 0 6 3 1 0 0 0 7 3 1 0 0 0 8 2 1 0 0 0 9 1 1 0 0 0 10 5 1 0 0 0 11 1 2 0 0 0 12 1 2 0 0 0 13 8 1 0 0 0 14 5 2 0 0 0 15 7 2 0 0 0 16 7 1 0 0 0 17 20 2 0 0 0 18 9 1 0 0 0 19 9 2 0 0 0 20 10 1 0 0 0 21 23 2 0 0 0 22 18 2 0 0 0 23 19 1 0 0 0 24 16 1 0 0 0 25 21 1 0 0 0 26 10 2 0 0 0 27 29 2 0 0 0 28 25 1 0 0 0 29 26 1 0 0 0 21 22 1 0 0 0 4 6 1 0 0 0 27 17 1 0 0 0 M END > 7.24412514432751 > 6.00261361560269 $$$$ 11280715242D 1 1.00000 0.00000 0 28 29 0 0 0 999 V2000 4.8750 -1.2875 0.0000 S 0 0 3 0 0 0 0 0 0 4.8750 -1.8875 0.0000 N 0 0 3 0 0 0 0 0 0 4.3625 -2.1875 0.0000 C 0 0 3 0 0 0 0 0 0 4.8750 -3.0875 0.0000 N 0 0 3 0 0 0 0 0 0 3.8417 -1.8875 0.0000 C 0 0 0 0 0 0 0 0 0 4.3625 -2.7875 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -2.1875 0.0000 C 0 0 0 0 0 0 0 0 0 4.8750 -3.6875 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 4.3250 -0.9000 0.0000 O 0 0 0 0 0 0 0 0 0 5.5875 -1.7000 0.0000 O 0 0 0 0 0 0 0 0 0 5.3917 -2.7875 0.0000 C 0 0 0 0 0 0 0 0 0 3.8375 -1.2875 0.0000 O 0 0 0 0 0 0 0 0 0 4.3542 -3.9792 0.0000 O 0 0 0 0 0 0 0 0 0 3.3167 -2.1875 0.0000 N 0 0 0 0 0 0 0 0 0 5.3917 -0.3875 0.0000 C 0 0 0 0 0 0 0 0 0 5.9125 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 6.4292 -0.3792 0.0000 C 0 0 0 0 0 0 0 0 0 6.4292 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 5.9042 -0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 2.8000 -1.8875 0.0000 O 0 0 0 0 0 0 0 0 0 6.9500 -0.0792 0.0000 O 0 0 0 0 0 0 0 0 0 5.3917 -3.9875 0.0000 C 0 0 0 0 0 0 0 0 0 7.4667 -0.3792 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -4.5875 0.0000 C 0 0 0 0 0 0 0 0 0 5.9125 -5.4875 0.0000 C 0 0 0 0 0 0 0 0 0 5.9125 -4.8875 0.0000 C 0 0 0 0 0 0 0 0 0 6.4292 -5.7875 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 12 1 0 0 0 5 3 1 0 0 0 6 3 1 0 0 0 7 2 1 0 0 0 8 4 1 0 0 0 9 1 1 0 0 0 10 1 2 0 0 0 11 1 2 0 0 0 12 7 1 0 0 0 13 5 2 0 0 0 14 8 2 0 0 0 15 5 1 0 0 0 16 9 1 0 0 0 17 9 2 0 0 0 18 19 2 0 0 0 19 17 1 0 0 0 20 16 2 0 0 0 21 15 1 0 0 0 22 18 1 0 0 0 23 8 1 0 0 0 24 22 1 0 0 0 25 23 1 0 0 0 26 27 1 0 0 0 27 25 1 0 0 0 28 26 1 0 0 0 18 20 1 0 0 0 4 6 1 0 0 0 M END > 8.76955107862173 > 6.93930215964639 $$$$ 11280715432D 1 1.00000 0.00000 0 33 35 0 0 0 999 V2000 -0.7875 1.5833 0.0000 S 0 0 3 0 0 0 0 0 0 -0.7875 0.7583 0.0000 N 0 0 3 0 0 0 0 0 0 -1.5000 0.3458 0.0000 C 0 0 3 0 0 0 0 0 0 -1.0625 -1.0792 0.0000 N 0 0 3 0 0 0 0 0 0 -1.6208 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3458 -1.8542 0.0000 C 0 0 0 0 0 0 0 0 0 -2.1875 0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0.0375 1.5833 0.0000 C 0 0 0 0 0 0 0 0 0 -1.6208 1.5833 0.0000 O 0 0 0 0 0 0 0 0 0 -0.7875 2.4083 0.0000 O 0 0 0 0 0 0 0 0 0 3.7542 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 4.5792 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 -2.1625 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 -2.1208 1.6583 0.0000 O 0 0 0 0 0 0 0 0 0 -0.8208 -2.4875 0.0000 C 0 0 0 0 0 0 0 0 0 -2.9375 0.4583 0.0000 N 0 0 0 0 0 0 0 0 0 -0.0208 0.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0.4417 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0.4417 2.3000 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2458 -1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0.2167 -0.3292 0.0000 C 0 0 0 0 0 0 0 0 0 1.6875 1.5833 0.0000 C 0 0 0 0 0 0 0 0 0 1.2792 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 1.2792 2.3000 0.0000 C 0 0 0 0 0 0 0 0 0 -3.6208 0.9208 0.0000 O 0 0 0 0 0 0 0 0 0 2.9250 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 2.5167 1.5833 0.0000 O 0 0 0 0 0 0 0 0 0 5.4000 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0208 -2.3500 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1125 -3.2542 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5833 -3.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0.5000 -2.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0.2167 -3.7542 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 5 1 0 0 0 5 3 1 0 0 0 6 4 1 0 0 0 7 3 1 0 0 0 8 1 1 0 0 0 9 1 2 0 0 0 10 1 2 0 0 0 11 26 1 0 0 0 12 11 3 0 0 0 13 6 2 0 0 0 14 7 2 0 0 0 15 6 1 0 0 0 16 7 1 0 0 0 17 2 1 0 0 0 18 8 2 0 0 0 19 8 1 0 0 0 20 21 1 0 0 0 21 17 1 0 0 0 22 24 1 0 0 0 23 18 1 0 0 0 24 19 2 0 0 0 25 16 1 0 0 0 26 27 1 0 0 0 27 22 1 0 0 0 28 12 1 0 0 0 29 15 1 0 0 0 30 15 2 0 0 0 31 30 1 0 0 0 32 29 2 0 0 0 33 31 2 0 0 0 22 23 2 0 0 0 20 4 1 0 0 0 33 32 1 0 0 0 M END > 7.18708664335714 > 6.44129142946683 $$$$ 11280714532D 1 1.00000 0.00000 0 37 40 0 0 0 999 V2000 2.2875 -0.1250 0.0000 S 0 0 3 0 0 0 0 0 0 1.5792 -0.5417 0.0000 N 0 0 3 0 0 0 0 0 0 1.5792 -1.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0.8667 -1.7875 0.0000 C 0 0 0 0 0 0 0 0 0 2.3000 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 4.4500 -3.0167 0.0000 C 0 0 3 0 0 0 0 0 0 2.3000 -2.6042 0.0000 C 0 0 0 0 0 0 0 0 0 1.5792 -3.0250 0.0000 N 0 0 0 0 0 0 0 0 0 0.1542 -1.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0.8667 -2.6125 0.0000 C 0 0 0 0 0 0 0 0 0 3.0042 0.2833 0.0000 C 0 0 0 0 0 0 0 0 0 3.7292 -2.6042 0.0000 C 0 0 0 0 0 0 0 0 0 1.8667 0.5958 0.0000 O 0 0 0 0 0 0 0 0 0 2.6917 -0.8375 0.0000 O 0 0 0 0 0 0 0 0 0 3.0167 -3.0167 0.0000 C 0 0 0 0 0 0 0 0 0 3.0042 -1.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0.8542 -0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 3.7250 -1.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0.1542 -0.5500 0.0000 O 0 0 0 0 0 0 0 0 0 1.5542 1.9250 0.0000 N 0 0 0 0 0 0 0 0 0 -0.5583 -1.7875 0.0000 N 0 0 0 0 0 0 0 0 0 0.8542 0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 5.1042 -3.3875 0.0000 F 0 0 0 0 0 0 0 0 0 4.8542 -2.3000 0.0000 F 0 0 0 0 0 0 0 0 0 4.0292 -3.7292 0.0000 F 0 0 0 0 0 0 0 0 0 3.0125 1.1000 0.0000 C 0 0 0 0 0 0 0 0 0 3.7125 -0.1417 0.0000 C 0 0 0 0 0 0 0 0 0 4.4417 1.0833 0.0000 C 0 0 0 0 0 0 0 0 0 4.4292 0.2583 0.0000 C 0 0 0 0 0 0 0 0 0 3.7292 1.5083 0.0000 C 0 0 0 0 0 0 0 0 0 -1.2708 -1.3750 0.0000 O 0 0 0 0 0 0 0 0 0 1.5667 1.1083 0.0000 C 0 0 0 0 0 0 0 0 0 5.1625 1.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0.8375 2.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0.1375 1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 5.8667 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0.1292 1.9208 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 3 2 0 0 0 6 12 1 0 0 0 7 5 1 0 0 0 8 7 2 0 0 0 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0 0 0 0 0 0 0 0 -1.8130 -1.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3794 -0.7393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9556 0.0871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2385 -1.9748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9531 -2.3871 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9513 -3.2128 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.6695 -1.9780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9580 -4.0368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1257 -3.2152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7769 -3.2119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5284 0.0913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8138 0.5035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0584 0.1692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5059 0.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9224 1.4956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7297 1.3229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8112 -1.9707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9 14 1 6 0 0 0 1 2 1 0 0 0 0 14 15 1 0 0 0 0 7 8 1 0 0 0 0 15 16 1 0 0 0 0 1 6 1 0 0 0 0 15 17 1 0 0 0 0 8 9 1 0 0 0 0 16 18 1 0 0 0 0 2 3 1 0 0 0 0 16 19 2 0 0 0 0 9 10 1 0 0 0 0 16 20 2 0 0 0 0 3 4 1 0 0 0 0 10 21 1 1 0 0 0 10 11 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 11 1 1 0 0 0 0 4 5 1 0 0 0 0 7 12 1 0 0 0 0 5 6 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 22 1 0 0 0 0 8 13 2 0 0 0 0 11 27 2 0 0 0 0 M END > 6.39794000867204 > 8.22184874961636 $$$$ 11280715162D 1 1.00000 0.00000 0 32 34 0 0 0 999 V2000 3.6250 -1.5167 0.0000 S 0 0 3 0 0 0 0 0 0 1.4792 -1.1125 0.0000 C 0 0 0 0 0 0 0 0 0 2.9042 -1.1042 0.0000 N 0 0 3 0 0 0 0 0 0 2.1917 -1.5250 0.0000 C 0 0 0 0 0 0 0 0 0 2.1917 -2.3542 0.0000 C 0 0 0 0 0 0 0 0 0 1.4750 -0.2875 0.0000 C 0 0 0 0 0 0 0 0 0 4.3375 -1.9292 0.0000 C 0 0 0 0 0 0 0 0 0 2.9125 -3.5917 0.0000 N 0 0 3 0 0 0 0 0 0 3.6250 -2.3417 0.0000 O 0 0 0 0 0 0 0 0 0 4.3375 -1.1042 0.0000 O 0 0 0 0 0 0 0 0 0 0.7667 -1.5250 0.0000 C 0 0 0 0 0 0 0 0 0 2.9125 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 2.9167 -5.2375 0.0000 N 0 0 3 0 0 0 0 0 0 1.4792 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0.7667 -2.3542 0.0000 C 0 0 0 0 0 0 0 0 0 2.1917 0.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0.7625 0.1208 0.0000 N 0 0 0 0 0 0 0 0 0 5.0417 -1.5167 0.0000 C 0 0 0 0 0 0 0 0 0 4.3292 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 2.1917 -4.0042 0.0000 C 0 0 0 0 0 0 0 0 0 3.6250 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 3.6292 -4.8167 0.0000 C 0 0 0 0 0 0 0 0 0 2.1917 -4.8250 0.0000 C 0 0 0 0 0 0 0 0 0 2.9042 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0.0500 -2.7625 0.0000 Br 0 0 0 0 0 0 0 0 0 5.7542 -2.7417 0.0000 C 0 0 0 0 0 0 0 0 0 5.7542 -1.9167 0.0000 C 0 0 0 0 0 0 0 0 0 5.0417 -3.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0.7542 0.9458 0.0000 O 0 0 0 0 0 0 0 0 0 6.4667 -3.1542 0.0000 O 0 0 0 0 0 0 0 0 0 2.9167 -6.0625 0.0000 C 0 0 0 0 0 0 0 0 0 7.1792 -2.7375 0.0000 C 0 0 0 0 0 0 0 0 0 2 4 2 0 0 0 3 1 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 6 2 1 0 0 0 7 1 1 0 0 0 8 12 1 0 0 0 9 1 2 0 0 0 10 1 2 0 0 0 11 2 1 0 0 0 12 5 1 0 0 0 13 22 1 0 0 0 14 5 2 0 0 0 15 14 1 0 0 0 16 6 2 0 0 0 17 6 1 0 0 0 18 7 1 0 0 0 19 7 2 0 0 0 20 8 1 0 0 0 21 8 1 0 0 0 22 21 1 0 0 0 23 20 1 0 0 0 24 3 1 0 0 0 25 15 1 0 0 0 26 28 2 0 0 0 27 18 2 0 0 0 28 19 1 0 0 0 29 17 1 0 0 0 30 26 1 0 0 0 31 13 1 0 0 0 32 30 1 0 0 0 27 26 1 0 0 0 15 11 2 0 0 0 13 23 1 0 0 0 M END > 8.30102999566398 > 6.71219827006977 $$$$ SciTegic11161115462D 36 38 0 0 0 0 999 V2000 -2.9429 1.9330 0.0000 C 0 0 -3.6591 1.5216 0.0000 C 0 0 -3.6608 0.7002 0.0000 C 0 0 -2.9481 0.2840 0.0000 N 0 0 -2.2319 0.6954 0.0000 C 0 0 -2.2285 1.5231 0.0000 C 0 0 -2.2285 2.3457 0.0000 S 0 0 -1.8162 3.0603 0.0000 O 0 0 -2.6412 3.0601 0.0000 O 0 0 -1.5139 1.9334 0.0000 C 0 0 -1.5151 1.1060 0.0000 C 0 0 -0.8003 0.6931 0.0000 C 0 0 -0.0838 1.1065 0.0000 C 0 0 -0.0867 1.9370 0.0000 C 0 0 -0.8021 2.3461 0.0000 C 0 0 0.6313 0.6951 0.0000 O 0 0 -3.6574 2.3454 0.0000 C 0 0 -3.6576 3.1704 0.0000 O 0 0 -4.3718 1.9327 0.0000 N 0 0 -5.0864 2.3450 0.0000 O 0 0 1.3451 1.1087 0.0000 C 0 0 2.0569 0.6969 0.0000 C 0 0 2.0492 2.3469 0.0000 C 0 0 1.3388 1.9316 0.0000 C 0 0 2.7664 1.9376 0.0000 C 0 0 2.7731 1.1138 0.0000 C 0 0 3.4782 2.3548 0.0000 O 0 0 -2.9510 -0.5410 0.0000 C 0 0 4.1953 1.9470 0.0000 C 0 0 4.9071 2.3642 0.0000 F 0 0 4.2007 1.1220 0.0000 F 0 0 4.9042 1.5375 0.0000 F 0 0 -3.6670 -0.9510 0.0000 C 0 0 -4.3800 -0.5359 0.0000 O 0 0 -5.0959 -0.9459 0.0000 C 0 0 -5.8089 -0.5309 0.0000 C 0 0 1 6 1 0 17 18 2 0 2 3 1 0 17 19 1 0 3 4 1 0 19 20 1 0 10 11 2 0 16 21 1 0 4 5 1 0 21 22 2 0 22 26 1 0 11 12 1 0 25 23 1 0 5 6 1 0 23 24 2 0 24 21 1 0 25 26 2 0 12 13 2 0 8 7 2 0 13 14 1 0 25 27 1 0 7 9 2 0 4 28 1 0 14 15 2 0 27 29 1 0 15 10 1 0 29 30 1 0 29 31 1 0 13 16 1 0 29 32 1 0 10 7 1 0 28 33 1 0 7 1 1 0 33 34 1 0 1 2 1 0 34 35 1 0 1 17 1 0 35 36 1 0 M END > 10 > 5.22914798835786 $$$$ 11280715292D 1 1.00000 0.00000 0 28 29 0 1 0 999 V2000 6.0500 -5.2917 0.0000 S 0 0 3 0 0 0 0 0 0 6.0375 -6.1042 0.0000 N 0 0 3 0 0 0 0 0 0 5.1625 -7.9667 0.0000 S 0 0 3 0 0 0 0 0 0 5.2917 -6.4375 0.0000 C 0 0 2 0 0 0 0 0 0 4.9625 -7.1792 0.0000 C 0 0 3 0 0 0 0 0 0 4.6750 -5.9292 0.0000 C 0 0 0 0 0 0 0 0 0 6.0375 -4.4875 0.0000 C 0 0 0 0 0 0 0 0 0 5.2417 -5.2875 0.0000 O 0 0 0 0 0 0 0 0 0 6.8542 -5.2917 0.0000 O 0 0 0 0 0 0 0 0 0 5.8292 -8.4250 0.0000 C 0 0 0 0 0 0 0 0 0 4.3167 -8.4917 0.0000 O 0 0 0 0 0 0 0 0 0 5.1625 -9.1292 0.0000 O 0 0 0 0 0 0 0 0 0 6.8250 -6.3167 0.0000 C 0 0 0 0 0 0 0 0 0 4.6750 -5.1250 0.0000 O 0 0 0 0 0 0 0 0 0 3.9500 -6.2792 0.0000 N 0 0 0 0 0 0 0 0 0 7.2000 -7.7875 0.0000 O 0 0 0 0 0 0 0 0 0 5.3292 -4.0792 0.0000 C 0 0 0 0 0 0 0 0 0 6.7417 -4.0667 0.0000 C 0 0 0 0 0 0 0 0 0 4.5500 -6.4792 0.0000 C 0 0 0 0 0 0 0 0 0 4.3875 -7.7542 0.0000 C 0 0 0 0 0 0 0 0 0 6.0292 -2.8625 0.0000 C 0 0 0 0 0 0 0 0 0 6.7292 -3.2542 0.0000 C 0 0 0 0 0 0 0 0 0 5.3292 -3.2750 0.0000 C 0 0 0 0 0 0 0 0 0 3.2792 -5.8292 0.0000 O 0 0 0 0 0 0 0 0 0 6.6292 -8.3542 0.0000 C 0 0 0 0 0 0 0 0 0 6.0167 -2.0417 0.0000 O 0 0 0 0 0 0 0 0 0 7.2792 -6.9792 0.0000 C 0 0 0 0 0 0 0 0 0 6.7125 -1.6417 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 5 1 0 0 0 4 2 1 0 0 0 5 4 1 0 0 0 4 6 1 6 0 0 7 1 1 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 3 1 0 0 0 11 3 2 0 0 0 12 3 2 0 0 0 13 2 1 0 0 0 14 6 2 0 0 0 15 6 1 0 0 0 16 27 1 0 0 0 17 7 1 0 0 0 18 7 2 0 0 0 19 5 1 0 0 0 20 5 1 0 0 0 21 22 2 0 0 0 22 18 1 0 0 0 23 17 2 0 0 0 24 15 1 0 0 0 25 16 1 0 0 0 26 21 1 0 0 0 27 13 1 0 0 0 28 26 1 0 0 0 23 21 1 0 0 0 10 25 1 0 0 0 M END > 8.48148606012211 > 8.72124639904717 $$$$ 11280715082D 1 1.00000 0.00000 0 30 32 0 0 0 999 V2000 4.0250 -2.2500 0.0000 S 0 0 3 0 0 0 0 0 0 3.2375 -2.2542 0.0000 N 0 0 3 0 0 0 0 0 0 2.3375 -2.7750 0.0000 C 0 0 0 0 0 0 0 0 0 2.9375 -2.7750 0.0000 C 0 0 0 0 0 0 0 0 0 2.0292 -2.2542 0.0000 C 0 0 0 0 0 0 0 0 0 4.6250 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 3.9917 -1.5917 0.0000 O 0 0 0 0 0 0 0 0 0 4.0250 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 3.2375 -3.2917 0.0000 C 0 0 0 0 0 0 0 0 0 2.9292 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 2.0417 -3.2917 0.0000 C 0 0 0 0 0 0 0 0 0 2.3667 -1.5917 0.0000 O 0 0 0 0 0 0 0 0 0 1.4292 -2.2542 0.0000 N 0 0 0 0 0 0 0 0 0 4.9167 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 4.9167 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 2.3375 -3.8042 0.0000 C 0 0 0 0 0 0 0 0 0 2.9375 -3.8042 0.0000 C 0 0 0 0 0 0 0 0 0 5.8167 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 3.2292 -1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 5.5167 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 5.5167 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 1.0875 -1.5625 0.0000 O 0 0 0 0 0 0 0 0 0 6.4167 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 2.0375 -4.3292 0.0000 C 0 0 0 0 0 0 0 0 0 3.8292 -1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 2.9292 -0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 6.7167 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 4.1292 -0.6917 0.0000 C 0 0 0 0 0 0 0 0 0 3.2292 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 3.8292 -0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 4 1 0 0 0 4 2 1 0 0 0 5 3 1 0 0 0 6 1 1 0 0 0 7 1 2 0 0 0 8 1 2 0 0 0 9 4 2 0 0 0 10 2 1 0 0 0 11 3 2 0 0 0 12 5 2 0 0 0 13 5 1 0 0 0 14 6 2 0 0 0 15 6 1 0 0 0 16 17 2 0 0 0 17 9 1 0 0 0 18 20 1 0 0 0 19 10 1 0 0 0 20 15 2 0 0 0 21 14 1 0 0 0 22 13 1 0 0 0 23 18 1 0 0 0 24 16 1 0 0 0 25 19 2 0 0 0 26 19 1 0 0 0 27 23 1 0 0 0 28 25 1 0 0 0 29 26 2 0 0 0 30 29 1 0 0 0 18 21 2 0 0 0 16 11 1 0 0 0 30 28 2 0 0 0 M END > 6.13786862068696 > 6.2572748686953 $$$$ 11280714592D 1 1.00000 0.00000 0 26 27 0 0 0 999 V2000 5.7042 -7.1792 0.0000 S 0 0 3 0 0 0 0 0 0 5.1792 -6.8792 0.0000 N 0 0 3 0 0 0 0 0 0 7.2667 -5.0667 0.0000 N 0 3 0 0 0 0 0 0 0 4.6542 -7.1792 0.0000 C 0 0 0 0 0 0 0 0 0 4.1292 -6.8792 0.0000 C 0 0 0 0 0 0 0 0 0 6.2292 -7.4792 0.0000 C 0 0 0 0 0 0 0 0 0 6.0125 -6.6625 0.0000 O 0 0 0 0 0 0 0 0 0 5.4000 -7.7042 0.0000 O 0 0 0 0 0 0 0 0 0 6.7500 -5.3667 0.0000 C 0 0 0 0 0 0 0 0 0 7.7917 -5.3667 0.0000 O 0 5 0 0 0 0 0 0 0 5.1792 -6.2750 0.0000 C 0 0 0 0 0 0 0 0 0 7.2667 -4.4625 0.0000 O 0 0 0 0 0 0 0 0 0 3.6125 -7.1792 0.0000 O 0 0 0 0 0 0 0 0 0 4.1292 -6.2750 0.0000 N 0 0 0 0 0 0 0 0 0 6.2167 -8.0875 0.0000 C 0 0 0 0 0 0 0 0 0 6.7417 -7.1792 0.0000 C 0 0 0 0 0 0 0 0 0 6.7500 -5.9667 0.0000 C 0 0 0 0 0 0 0 0 0 6.2167 -5.0667 0.0000 C 0 0 0 0 0 0 0 0 0 5.7042 -5.9667 0.0000 C 0 0 0 0 0 0 0 0 0 7.2667 -8.0875 0.0000 C 0 0 0 0 0 0 0 0 0 5.7042 -5.3667 0.0000 C 0 0 0 0 0 0 0 0 0 6.2292 -6.2750 0.0000 C 0 0 0 0 0 0 0 0 0 7.2625 -7.4792 0.0000 C 0 0 0 0 0 0 0 0 0 6.7500 -8.3875 0.0000 C 0 0 0 0 0 0 0 0 0 7.7917 -8.3875 0.0000 F 0 0 0 0 0 0 0 0 0 3.6125 -5.9667 0.0000 O 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 9 1 0 0 0 4 2 1 0 0 0 5 4 1 0 0 0 6 1 1 0 0 0 7 1 2 0 0 0 8 1 2 0 0 0 9 17 2 0 0 0 10 3 1 0 0 0 11 2 1 0 0 0 12 3 2 0 0 0 13 5 2 0 0 0 14 5 1 0 0 0 15 6 2 0 0 0 16 6 1 0 0 0 17 22 1 0 0 0 18 21 2 0 0 0 19 11 1 0 0 0 20 23 1 0 0 0 21 19 1 0 0 0 22 19 2 0 0 0 23 16 2 0 0 0 24 15 1 0 0 0 25 20 1 0 0 0 26 14 1 0 0 0 24 20 2 0 0 0 9 18 1 0 0 0 M CHG 2 3 1 10 -1 M END > 7.3767507096021 > 7.72124639904717 $$$$ 11280715532D 1 1.00000 0.00000 0 33 35 0 0 0 999 V2000 17.3286 -4.0228 0.0000 C 0 0 0 0 0 0 0 0 0 17.3286 -4.8522 0.0000 C 0 0 0 0 0 0 0 0 0 18.0429 -5.2646 0.0000 N 0 0 3 0 0 0 0 0 0 18.7616 -4.8522 0.0000 C 0 0 0 0 0 0 0 0 0 18.7616 -4.0228 0.0000 C 0 0 0 0 0 0 0 0 0 18.0429 -3.6060 0.0000 C 0 0 3 0 0 0 0 0 0 17.3241 -3.1936 0.0000 C 0 0 0 0 0 0 0 0 0 18.7532 -3.1868 0.0000 C 0 0 0 0 0 0 0 0 0 18.7452 -2.3620 0.0000 S 0 0 3 0 0 0 0 0 0 18.7399 -1.5349 0.0000 C 0 0 0 0 0 0 0 0 0 17.9205 -2.3686 0.0000 O 0 0 0 0 0 0 0 0 0 19.5700 -2.3579 0.0000 O 0 0 0 0 0 0 0 0 0 17.3218 -2.3689 0.0000 O 0 0 0 0 0 0 0 0 0 16.6109 -3.6079 0.0000 N 0 0 0 0 0 0 0 0 0 15.8955 -3.1976 0.0000 O 0 0 0 0 0 0 0 0 0 19.4557 -1.1186 0.0000 C 0 0 0 0 0 0 0 0 0 19.4508 -0.2922 0.0000 C 0 0 0 0 0 0 0 0 0 18.7312 0.1176 0.0000 C 0 0 0 0 0 0 0 0 0 18.0152 -0.3052 0.0000 C 0 0 0 0 0 0 0 0 0 18.0238 -1.1301 0.0000 C 0 0 0 0 0 0 0 0 0 18.7247 0.9422 0.0000 O 0 0 0 0 0 0 0 0 0 19.4357 1.3602 0.0000 C 0 0 0 0 0 0 0 0 0 19.4292 2.1849 0.0000 C 0 0 0 0 0 0 0 0 0 19.4225 3.0103 0.0000 C 0 0 0 0 0 0 0 0 0 19.4158 3.8350 0.0000 C 0 0 0 0 0 0 0 0 0 18.0417 -6.0893 0.0000 C 0 0 0 0 0 0 0 0 0 17.3269 -6.5007 0.0000 C 0 0 0 0 0 0 0 0 0 18.7554 -6.5027 0.0000 O 0 0 0 0 0 0 0 0 0 16.6179 -6.0838 0.0000 C 0 0 0 0 0 0 0 0 0 15.9035 -6.4944 0.0000 C 0 0 0 0 0 0 0 0 0 15.9019 -7.3200 0.0000 N 0 0 0 0 0 0 0 0 0 16.6206 -7.7333 0.0000 C 0 0 0 0 0 0 0 0 0 17.3320 -7.3202 0.0000 C 0 0 0 0 0 0 0 0 0 6 8 1 0 0 0 16 17 1 0 0 0 1 6 1 0 0 0 17 18 2 0 0 0 8 9 1 0 0 0 18 19 1 0 0 0 2 3 1 0 0 0 19 20 2 0 0 0 20 10 1 0 0 0 9 10 1 0 0 0 18 21 1 0 0 0 3 4 1 0 0 0 21 22 1 0 0 0 9 11 2 0 0 0 22 23 1 0 0 0 4 5 1 0 0 0 23 24 3 0 0 0 9 12 2 0 0 0 24 25 1 0 0 0 5 6 1 0 0 0 3 26 1 0 0 0 7 13 2 0 0 0 26 27 1 0 0 0 26 28 2 0 0 0 7 14 1 0 0 0 27 29 2 0 0 0 6 7 1 0 0 0 29 30 1 0 0 0 14 15 1 0 0 0 30 31 2 0 0 0 1 2 1 0 0 0 31 32 1 0 0 0 10 16 2 0 0 0 32 33 2 0 0 0 33 27 1 0 0 0 M END > 7.67778070526608 > 5.52143350440616 $$$$ 11280715082D 1 1.00000 0.00000 0 31 33 0 0 0 999 V2000 3.3292 -8.5875 0.0000 C 0 0 3 0 0 0 0 0 0 2.6167 -9.0042 0.0000 S 0 0 3 0 0 0 0 0 0 4.0542 -8.9875 0.0000 C 0 0 0 0 0 0 0 0 0 2.6250 -8.1792 0.0000 C 0 0 0 0 0 0 0 0 0 4.0417 -8.1792 0.0000 C 0 0 0 0 0 0 0 0 0 1.9042 -8.5917 0.0000 C 0 0 0 0 0 0 0 0 0 3.2042 -9.5875 0.0000 O 0 0 0 0 0 0 0 0 0 2.0292 -9.5875 0.0000 O 0 0 0 0 0 0 0 0 0 3.3292 -6.9375 0.0000 N 0 0 3 0 0 0 0 0 0 4.0667 -9.8125 0.0000 O 0 0 0 0 0 0 0 0 0 4.7625 -8.5667 0.0000 N 0 0 0 0 0 0 0 0 0 2.6250 -7.3542 0.0000 C 0 0 0 0 0 0 0 0 0 4.0417 -7.3542 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2458 -7.3500 0.0000 O 0 0 0 0 0 0 0 0 0 1.9042 -7.7625 0.0000 C 0 0 0 0 0 0 0 0 0 1.1875 -9.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0.4750 -7.7625 0.0000 C 0 0 0 0 0 0 0 0 0 -0.9583 -7.7625 0.0000 C 0 0 0 0 0 0 0 0 0 -2.3833 -8.5875 0.0000 C 0 0 0 0 0 0 0 0 0 1.1875 -7.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0.4750 -8.5917 0.0000 C 0 0 0 0 0 0 0 0 0 -3.0958 -9.0042 0.0000 Cl 0 0 0 0 0 0 0 0 0 5.4792 -8.9667 0.0000 O 0 0 0 0 0 0 0 0 0 -0.9583 -8.5792 0.0000 C 0 0 0 0 0 0 0 0 0 -1.6708 -7.3500 0.0000 C 0 0 0 0 0 0 0 0 0 -1.6708 -8.9917 0.0000 C 0 0 0 0 0 0 0 0 0 -2.3833 -7.7542 0.0000 C 0 0 0 0 0 0 0 0 0 3.3292 -6.1125 0.0000 C 0 0 0 0 0 0 0 0 0 4.0500 -5.7000 0.0000 C 0 0 0 0 0 0 0 0 0 4.0500 -4.8750 0.0000 C 0 0 0 0 0 0 0 0 0 4.7625 -4.4625 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 1 1 0 0 0 5 1 1 0 0 0 6 2 1 0 0 0 7 2 2 0 0 0 8 2 2 0 0 0 9 13 1 0 0 0 10 3 2 0 0 0 11 3 1 0 0 0 12 4 1 0 0 0 13 5 1 0 0 0 14 17 1 0 0 0 15 6 1 0 0 0 16 6 2 0 0 0 17 21 2 0 0 0 18 14 1 0 0 0 19 27 1 0 0 0 20 15 2 0 0 0 21 16 1 0 0 0 22 19 1 0 0 0 23 11 1 0 0 0 24 18 2 0 0 0 25 18 1 0 0 0 26 24 1 0 0 0 27 25 2 0 0 0 28 9 1 0 0 0 29 28 1 0 0 0 30 29 1 0 0 0 31 30 1 0 0 0 12 9 1 0 0 0 20 17 1 0 0 0 26 19 2 0 0 0 M END > 9 > 5.97061622231479 $$$$ 11280715532D 1 1.00000 0.00000 0 32 33 0 0 0 999 V2000 18.3136 -24.9922 0.0000 C 0 0 0 0 0 0 0 0 0 18.3136 -25.8214 0.0000 C 0 0 0 0 0 0 0 0 0 19.0277 -26.2336 0.0000 N 0 0 3 0 0 0 0 0 0 19.7463 -25.8214 0.0000 C 0 0 0 0 0 0 0 0 0 19.7463 -24.9922 0.0000 C 0 0 0 0 0 0 0 0 0 19.0277 -24.5754 0.0000 C 0 0 3 0 0 0 0 0 0 18.3091 -24.1632 0.0000 C 0 0 0 0 0 0 0 0 0 19.7378 -24.1564 0.0000 C 0 0 0 0 0 0 0 0 0 19.7299 -23.3318 0.0000 S 0 0 3 0 0 0 0 0 0 19.7245 -22.5049 0.0000 C 0 0 0 0 0 0 0 0 0 18.9054 -23.3384 0.0000 O 0 0 0 0 0 0 0 0 0 20.5544 -23.3277 0.0000 O 0 0 0 0 0 0 0 0 0 18.3067 -23.3387 0.0000 O 0 0 0 0 0 0 0 0 0 17.5961 -24.5774 0.0000 N 0 0 0 0 0 0 0 0 0 16.8809 -24.1671 0.0000 O 0 0 0 0 0 0 0 0 0 20.4402 -22.0887 0.0000 C 0 0 0 0 0 0 0 0 0 20.4352 -21.2625 0.0000 C 0 0 0 0 0 0 0 0 0 19.7158 -20.8529 0.0000 C 0 0 0 0 0 0 0 0 0 19.0000 -21.2755 0.0000 C 0 0 0 0 0 0 0 0 0 19.0086 -22.1002 0.0000 C 0 0 0 0 0 0 0 0 0 19.7093 -20.0285 0.0000 O 0 0 0 0 0 0 0 0 0 20.4202 -19.6106 0.0000 C 0 0 0 0 0 0 0 0 0 20.4137 -18.7861 0.0000 C 0 0 0 0 0 0 0 0 0 20.4070 -17.9609 0.0000 C 0 0 0 0 0 0 0 0 0 20.4003 -17.1364 0.0000 C 0 0 0 0 0 0 0 0 0 19.0265 -27.0581 0.0000 C 0 0 0 0 0 0 0 0 0 18.3119 -27.4694 0.0000 N 0 0 3 0 0 0 0 0 0 19.7400 -27.4714 0.0000 O 0 0 0 0 0 0 0 0 0 17.5984 -27.0562 0.0000 C 0 0 0 0 0 0 0 0 0 17.5995 -26.2316 0.0000 C 0 0 0 0 0 0 0 0 0 18.3107 -28.2939 0.0000 C 0 0 0 0 0 0 0 0 0 17.5961 -28.7052 0.0000 C 0 0 0 0 0 0 0 0 0 10 16 2 0 0 0 6 8 1 0 0 0 16 17 1 0 0 0 1 6 1 0 0 0 17 18 2 0 0 0 8 9 1 0 0 0 18 19 1 0 0 0 2 3 1 0 0 0 19 20 2 0 0 0 20 10 1 0 0 0 9 10 1 0 0 0 18 21 1 0 0 0 3 4 1 0 0 0 21 22 1 0 0 0 9 11 2 0 0 0 22 23 1 0 0 0 4 5 1 0 0 0 23 24 3 0 0 0 9 12 2 0 0 0 24 25 1 0 0 0 5 6 1 0 0 0 3 26 1 0 0 0 7 13 2 0 0 0 26 27 1 0 0 0 26 28 2 0 0 0 7 14 1 0 0 0 27 29 1 0 0 0 6 7 1 0 0 0 29 30 1 0 0 0 14 15 1 0 0 0 27 31 1 0 0 0 1 2 1 0 0 0 31 32 1 0 0 0 M END > 7.13076828026902 > 5.18045606445813 $$$$ Mrv0541 04051115152D 17 17 0 0 0 0 999 V2000 -0.2834 -2.6828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4310 -2.2703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1455 -2.6828 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1455 -3.5078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4310 -1.4453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2834 -1.0328 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2834 -0.2078 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5416 -0.2078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1084 -0.2078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2834 0.6172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9979 1.0297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9979 1.8547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2834 2.2672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2834 3.0922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9979 3.5047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4310 1.8547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4310 1.0297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 2 3 1 0 0 0 0 5 2 1 0 0 0 0 3 4 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 8 7 2 0 0 0 0 9 7 2 0 0 0 0 10 7 1 0 0 0 0 10 11 2 0 0 0 0 17 10 1 0 0 0 0 12 11 1 0 0 0 0 13 12 2 0 0 0 0 13 14 1 0 0 0 0 16 13 1 0 0 0 0 15 14 1 0 0 0 0 17 16 2 0 0 0 0 M END > 6.92081875395237 > 7.48148606012211 $$$$ SciTegic04151115542D 26 27 0 0 0 0 999 V2000 25.7111 -9.8875 0.0000 C 0 0 25.7099 -10.7148 0.0000 C 0 0 26.4247 -11.1277 0.0000 C 0 0 27.1412 -10.7144 0.0000 C 0 0 27.1383 -9.8838 0.0000 C 0 0 26.4229 -9.4747 0.0000 C 0 0 26.4205 -8.6497 0.0000 S 0 0 25.7048 -8.2393 0.0000 N 0 0 26.9542 -8.0417 0.0000 O 0 0 27.1292 -9.0583 0.0000 O 0 0 25.7023 -7.4143 0.0000 C 0 0 24.9915 -8.6540 0.0000 C 0 0 26.4155 -6.9997 0.0000 C 0 0 2 0 0 0 24.2758 -8.2436 0.0000 C 0 0 23.5626 -8.6582 0.0000 N 0 0 24.2734 -7.4186 0.0000 O 0 0 22.8469 -8.2479 0.0000 O 0 0 27.1312 -7.4101 0.0000 O 0 0 26.4131 -6.1747 0.0000 C 0 0 27.1263 -5.7601 0.0000 O 0 0 26.4264 -11.9505 0.0000 C 0 0 25.7102 -12.3622 0.0000 C 0 0 25.7097 -13.1865 0.0000 C 0 0 26.4246 -13.6000 0.0000 C 0 0 27.1415 -13.1832 0.0000 C 0 0 27.1385 -12.3603 0.0000 C 0 0 11 13 1 0 1 2 2 0 12 14 1 0 6 7 1 0 14 15 1 0 3 4 2 0 14 16 2 0 7 8 1 0 15 17 1 0 13 18 1 1 7 9 2 0 13 19 1 0 4 5 1 0 19 20 1 0 7 10 2 0 2 3 1 0 21 22 2 0 8 11 1 0 22 23 1 0 5 6 2 0 23 24 2 0 8 12 1 0 24 25 1 0 6 1 1 0 25 26 2 0 26 21 1 0 3 21 1 0 M END > 7.74472749489669 > 6.12959609472097 $$$$ 11280715432D 1 1.00000 0.00000 0 25 26 0 0 0 999 V2000 -0.7833 0.8458 0.0000 S 0 0 3 0 0 0 0 0 0 -0.7875 0.0083 0.0000 N 0 0 3 0 0 0 0 0 0 -1.5458 -0.3417 0.0000 C 0 0 3 0 0 0 0 0 0 -2.1833 0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0.0417 0.8458 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7833 1.6708 0.0000 O 0 0 0 0 0 0 0 0 0 -1.6083 0.8458 0.0000 O 0 0 0 0 0 0 0 0 0 2.5375 -0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 2.9417 -1.3167 0.0000 C 0 0 0 0 0 0 0 0 0 -2.1833 1.0208 0.0000 O 0 0 0 0 0 0 0 0 0 -0.0458 -0.3542 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3875 -1.8042 0.0000 S 0 0 0 0 0 0 0 0 0 -2.9250 -0.1667 0.0000 N 0 0 0 0 0 0 0 0 0 -1.7250 -1.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0.4542 1.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0.4542 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 1.7042 0.8333 0.0000 C 0 0 0 0 0 0 0 0 0 1.2792 1.5583 0.0000 C 0 0 0 0 0 0 0 0 0 1.2792 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 -3.6083 0.2958 0.0000 O 0 0 0 0 0 0 0 0 0 2.9417 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0.1375 -1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 -1.2208 -1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 2.5375 0.8333 0.0000 O 0 0 0 0 0 0 0 0 0 3.3542 -2.0417 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 1 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 21 1 0 0 0 9 8 3 0 0 0 10 4 2 0 0 0 11 2 1 0 0 0 12 22 1 0 0 0 13 4 1 0 0 0 14 3 1 0 0 0 15 5 1 0 0 0 16 5 2 0 0 0 17 19 2 0 0 0 18 15 2 0 0 0 19 16 1 0 0 0 20 13 1 0 0 0 21 24 1 0 0 0 22 11 1 0 0 0 23 14 1 0 0 0 24 17 1 0 0 0 25 9 1 0 0 0 17 18 1 0 0 0 12 23 1 0 0 0 M END > 7.95860731484177 > 6.76700388960785 $$$$ 11280715052D 1 1.00000 0.00000 0 36 39 0 0 0 999 V2000 6.9167 -7.3917 0.0000 S 0 0 3 0 0 0 0 0 0 6.0917 -7.3542 0.0000 N 0 0 3 0 0 0 0 0 0 5.6542 -8.0542 0.0000 C 0 0 0 0 0 0 0 0 0 4.8250 -8.0250 0.0000 C 0 0 0 0 0 0 0 0 0 6.0375 -8.7917 0.0000 C 0 0 0 0 0 0 0 0 0 4.4375 -7.2917 0.0000 C 0 0 0 0 0 0 0 0 0 7.7417 -7.3917 0.0000 C 0 0 0 0 0 0 0 0 0 7.3542 -6.6917 0.0000 O 0 0 0 0 0 0 0 0 0 7.3000 -8.1167 0.0000 O 0 0 0 0 0 0 0 0 0 4.3875 -8.7250 0.0000 C 0 0 0 0 0 0 0 0 0 5.7042 -6.6292 0.0000 C 0 0 0 0 0 0 0 0 0 5.5917 -9.4875 0.0000 C 0 0 0 0 0 0 0 0 0 6.8292 -9.0042 0.0000 C 0 0 0 0 0 0 0 0 0 4.8792 -6.5917 0.0000 O 0 0 0 0 0 0 0 0 0 4.7667 -9.4542 0.0000 C 0 0 0 0 0 0 0 0 0 7.4125 -5.2625 0.0000 N 0 0 0 0 0 0 0 0 0 3.6125 -7.2667 0.0000 N 0 0 0 0 0 0 0 0 0 6.1500 -5.9292 0.0000 C 0 0 0 0 0 0 0 0 0 8.1417 -6.6792 0.0000 C 0 0 0 0 0 0 0 0 0 8.1500 -8.1042 0.0000 C 0 0 0 0 0 0 0 0 0 9.3792 -7.3875 0.0000 C 0 0 0 0 0 0 0 0 0 8.9667 -8.1000 0.0000 C 0 0 0 0 0 0 0 0 0 8.9667 -6.6750 0.0000 C 0 0 0 0 0 0 0 0 0 3.1750 -7.9667 0.0000 O 0 0 0 0 0 0 0 0 0 6.9792 -5.9625 0.0000 C 0 0 0 0 0 0 0 0 0 10.2042 -7.3792 0.0000 O 0 0 0 0 0 0 0 0 0 7.0292 -4.5292 0.0000 C 0 0 0 0 0 0 0 0 0 7.0417 -9.7917 0.0000 C 0 0 0 0 0 0 0 0 0 7.4042 -8.4167 0.0000 C 0 0 0 0 0 0 0 0 0 5.7667 -5.1917 0.0000 C 0 0 0 0 0 0 0 0 0 4.3292 -10.1500 0.0000 C 0 0 0 0 0 0 0 0 0 10.6167 -8.1000 0.0000 C 0 0 0 0 0 0 0 0 0 6.2042 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 8.2000 -8.6292 0.0000 C 0 0 0 0 0 0 0 0 0 7.8292 -10.0042 0.0000 C 0 0 0 0 0 0 0 0 0 8.4167 -9.4292 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 3 2 0 0 0 6 4 1 0 0 0 7 1 1 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 4 2 0 0 0 11 2 1 0 0 0 12 5 1 0 0 0 13 5 1 0 0 0 14 6 2 0 0 0 15 12 2 0 0 0 16 25 2 0 0 0 17 6 1 0 0 0 18 11 1 0 0 0 19 7 1 0 0 0 20 7 2 0 0 0 21 22 2 0 0 0 22 20 1 0 0 0 23 19 2 0 0 0 24 17 1 0 0 0 25 18 1 0 0 0 26 21 1 0 0 0 27 33 2 0 0 0 28 13 2 0 0 0 29 13 1 0 0 0 30 18 2 0 0 0 31 15 1 0 0 0 32 26 1 0 0 0 33 30 1 0 0 0 34 29 2 0 0 0 35 28 1 0 0 0 36 34 1 0 0 0 23 21 1 0 0 0 10 15 1 0 0 0 16 27 1 0 0 0 35 36 2 0 0 0 M END > 8.52287874528034 > 6.98716277529483 $$$$ 11280715482D 1 1.00000 0.00000 0 30 31 0 0 0 999 V2000 2.7792 -1.3000 0.0000 S 0 0 3 0 0 0 0 0 0 1.9542 -1.3417 0.0000 N 0 0 3 0 0 0 0 0 0 1.5042 -0.6417 0.0000 C 0 0 3 0 0 0 0 0 0 0.3042 -1.4125 0.0000 N 0 0 3 0 0 0 0 0 0 1.8875 0.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0.6875 -0.6792 0.0000 C 0 0 0 0 0 0 0 0 0 1.5792 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5208 -1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 3.6000 -1.2625 0.0000 C 0 0 0 0 0 0 0 0 0 2.7750 -0.4750 0.0000 O 0 0 0 0 0 0 0 0 0 2.7750 -2.1250 0.0000 O 0 0 0 0 0 0 0 0 0 6.1417 -2.5667 0.0000 C 0 0 0 0 0 0 0 0 0 5.7292 -3.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0.7542 -2.1042 0.0000 C 0 0 0 0 0 0 0 0 0 2.6792 0.3083 0.0000 O 0 0 0 0 0 0 0 0 0 -0.8958 -2.1792 0.0000 O 0 0 0 0 0 0 0 0 0 1.3667 0.7333 0.0000 N 0 0 0 0 0 0 0 0 0 3.9792 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 4.0417 -1.9542 0.0000 C 0 0 0 0 0 0 0 0 0 5.2500 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 4.8667 -1.9167 0.0000 C 0 0 0 0 0 0 0 0 0 4.8042 -0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 1.6667 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 6.5250 -1.8292 0.0000 C 0 0 0 0 0 0 0 0 0 6.0750 -1.1417 0.0000 O 0 0 0 0 0 0 0 0 0 -0.9708 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 5.3125 -3.9917 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7958 -0.7917 0.0000 C 0 0 0 0 0 0 0 0 0 -2.2458 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 -1.8708 0.6375 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 14 1 0 0 0 5 3 1 0 0 0 6 3 1 0 0 0 7 2 1 0 0 0 8 4 1 0 0 0 9 1 1 0 0 0 10 1 2 0 0 0 11 1 2 0 0 0 12 24 1 0 0 0 13 12 3 0 0 0 14 7 1 0 0 0 15 5 2 0 0 0 16 8 2 0 0 0 17 5 1 0 0 0 18 9 2 0 0 0 19 9 1 0 0 0 20 21 1 0 0 0 21 19 2 0 0 0 22 18 1 0 0 0 23 17 1 0 0 0 24 25 1 0 0 0 25 20 1 0 0 0 26 8 1 0 0 0 27 13 1 0 0 0 28 26 1 0 0 0 29 28 1 0 0 0 30 29 1 0 0 0 22 20 2 0 0 0 6 4 1 0 0 0 M END > 7.08092190762393 > 5.9037854146536 $$$$ CDK 9/16/09,9:58 25 26 0 0 0 0 0 0 0 0999 V2000 10.2743 0.0321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2731 -0.7955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9860 -1.2084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7054 -0.7950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7022 0.0361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9840 0.4450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5595 0.4441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5589 1.2691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8454 0.0309 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1306 0.4429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9802 1.2700 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6928 1.6858 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.4026 2.1038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1100 0.9741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2765 2.3981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1192 1.6951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8284 2.1123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8218 2.9370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0999 3.3426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3935 2.9229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5322 3.3566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2508 2.9512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2639 1.6791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4147 0.4522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9847 -2.0334 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 6 1 1 0 0 0 0 12 13 1 0 0 0 0 1 2 2 0 0 0 0 12 14 2 0 0 0 0 1 7 1 0 0 0 0 12 15 2 0 0 0 0 3 4 2 0 0 0 0 13 16 2 0 0 0 0 7 8 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 7 9 1 0 0 0 0 18 19 1 0 0 0 0 4 5 1 0 0 0 0 19 20 2 0 0 0 0 20 13 1 0 0 0 0 9 10 1 0 0 0 0 18 21 1 0 0 0 0 2 3 1 0 0 0 0 21 22 1 0 0 0 0 6 11 1 0 0 0 0 11 23 1 0 0 0 0 5 6 2 0 0 0 0 5 24 1 0 0 0 0 11 12 1 0 0 0 0 3 25 1 0 0 0 0 M END > 7.95860731484177 > 6.94309514866353 $$$$ 11280714532D 1 1.00000 0.00000 0 29 31 0 0 0 999 V2000 4.5917 4.7042 0.0000 S 0 0 3 0 0 0 0 0 0 3.8875 3.4625 0.0000 C 0 0 0 0 0 0 0 0 0 3.8792 4.2792 0.0000 N 0 0 3 0 0 0 0 0 0 3.1750 3.0500 0.0000 C 0 0 0 0 0 0 0 0 0 4.6042 3.0500 0.0000 C 0 0 0 0 0 0 0 0 0 3.8875 1.8083 0.0000 N 0 0 0 0 0 0 0 0 0 4.6042 2.2250 0.0000 C 0 0 0 0 0 0 0 0 0 2.4625 3.4583 0.0000 C 0 0 0 0 0 0 0 0 0 3.1750 2.2208 0.0000 C 0 0 0 0 0 0 0 0 0 5.3042 5.1042 0.0000 C 0 0 0 0 0 0 0 0 0 5.0000 3.9958 0.0000 O 0 0 0 0 0 0 0 0 0 4.1750 5.4167 0.0000 O 0 0 0 0 0 0 0 0 0 5.3167 1.8125 0.0000 C 0 0 0 0 0 0 0 0 0 2.4625 4.2792 0.0000 O 0 0 0 0 0 0 0 0 0 5.3167 0.9875 0.0000 C 0 0 0 0 0 0 0 0 0 1.7417 3.0458 0.0000 N 0 0 0 0 0 0 0 0 0 5.3167 5.9292 0.0000 C 0 0 0 0 0 0 0 0 0 6.0167 4.6875 0.0000 C 0 0 0 0 0 0 0 0 0 4.6042 0.5750 0.0000 C 0 0 0 0 0 0 0 0 0 5.3125 3.4708 0.0000 C 0 0 0 0 0 0 0 0 0 3.1625 4.6917 0.0000 C 0 0 0 0 0 0 0 0 0 6.7417 5.9167 0.0000 C 0 0 0 0 0 0 0 0 0 6.0292 6.3375 0.0000 C 0 0 0 0 0 0 0 0 0 6.7375 5.0917 0.0000 C 0 0 0 0 0 0 0 0 0 1.0292 3.4583 0.0000 O 0 0 0 0 0 0 0 0 0 7.4667 6.3167 0.0000 O 0 0 0 0 0 0 0 0 0 6.0292 3.0583 0.0000 C 0 0 0 0 0 0 0 0 0 6.0292 2.2333 0.0000 C 0 0 0 0 0 0 0 0 0 8.1750 5.9042 0.0000 C 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 3 1 1 0 0 0 4 2 1 0 0 0 5 2 2 0 0 0 6 7 2 0 0 0 7 5 1 0 0 0 8 4 1 0 0 0 9 4 2 0 0 0 10 1 1 0 0 0 11 1 2 0 0 0 12 1 2 0 0 0 13 7 1 0 0 0 14 8 2 0 0 0 15 13 1 0 0 0 16 8 1 0 0 0 17 10 1 0 0 0 18 10 2 0 0 0 19 15 2 0 0 0 20 5 1 0 0 0 21 3 1 0 0 0 22 24 2 0 0 0 23 17 2 0 0 0 24 18 1 0 0 0 25 16 1 0 0 0 26 22 1 0 0 0 27 20 2 0 0 0 28 27 1 0 0 0 29 26 1 0 0 0 22 23 1 0 0 0 6 9 1 0 0 0 28 13 2 0 0 0 M END > 8.30102999566398 > 6.69897000433602 $$$$ 11280715192D 1 1.00000 0.00000 0 30 30 0 1 0 999 V2000 3.6667 -3.0250 0.0000 C 0 0 3 0 0 0 0 0 0 4.3875 -3.4375 0.0000 C 0 0 0 0 0 0 0 0 0 6.5250 -3.0250 0.0000 C 0 0 0 0 0 0 0 0 0 5.1000 -3.0250 0.0000 N 0 0 0 0 0 0 0 0 0 7.2417 -3.4417 0.0000 N 0 0 0 0 0 0 0 0 0 5.8125 -3.4375 0.0000 C 0 0 1 0 0 0 0 0 0 2.9542 -3.4375 0.0000 C 0 0 1 0 0 0 0 0 0 2.2375 -3.0250 0.0000 N 0 0 3 0 0 0 0 0 0 7.9542 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 3.6750 -2.2000 0.0000 C 0 0 0 0 0 0 0 0 0 1.5250 -3.4375 0.0000 C 0 0 0 0 0 0 0 0 0 4.3792 -4.2542 0.0000 O 0 0 0 0 0 0 0 0 0 8.6667 -3.4500 0.0000 N 0 0 0 0 0 0 0 0 0 6.5250 -2.2000 0.0000 O 0 0 0 0 0 0 0 0 0 1.5167 -4.2542 0.0000 O 0 0 0 0 0 0 0 0 0 5.8125 -4.2542 0.0000 C 0 0 2 0 0 0 0 0 0 2.9500 -4.2542 0.0000 C 0 0 3 0 0 0 0 0 0 2.2417 -2.2000 0.0000 O 0 0 0 0 0 0 0 0 0 4.3875 -1.7875 0.0000 C 0 0 3 0 0 0 0 0 0 9.3792 -3.0375 0.0000 C 0 0 0 0 0 0 0 0 0 7.9500 -2.2125 0.0000 C 0 0 0 0 0 0 0 0 0 6.5250 -4.6750 0.0000 C 0 0 0 0 0 0 0 0 0 3.6667 -4.6750 0.0000 C 0 0 0 0 0 0 0 0 0 2.2375 -4.6750 0.0000 C 0 0 0 0 0 0 0 0 0 5.1000 -4.6750 0.0000 C 0 0 0 0 0 0 0 0 0 5.1000 -2.2000 0.0000 C 0 0 0 0 0 0 0 0 0 4.3875 -0.9625 0.0000 C 0 0 0 0 0 0 0 0 0 6.5250 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 9.3875 -2.2125 0.0000 C 0 0 0 0 0 0 0 0 0 8.6625 -1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 6 1 0 0 0 4 2 1 0 0 0 5 3 1 0 0 0 6 4 1 6 0 0 7 1 1 0 0 0 8 7 1 0 0 0 9 5 1 0 0 0 10 1 1 0 0 0 11 8 1 0 0 0 12 2 2 0 0 0 13 9 2 0 0 0 14 3 2 0 0 0 15 11 2 0 0 0 16 6 1 0 0 0 7 17 1 6 0 0 18 8 1 0 0 0 19 10 1 0 0 0 20 13 1 0 0 0 21 9 1 0 0 0 22 16 1 0 0 0 23 17 1 0 0 0 24 17 1 0 0 0 16 25 1 6 0 0 26 19 1 0 0 0 27 19 1 0 0 0 28 22 1 0 0 0 29 30 1 0 0 0 30 21 2 0 0 0 29 20 2 0 0 0 M END > 8.15490195998574 > 7.72124639904717 $$$$ 11280715482D 1 1.00000 0.00000 0 28 30 0 0 0 999 V2000 2.4292 -5.3792 0.0000 S 0 0 3 0 0 0 0 0 0 1.6042 -5.4250 0.0000 N 0 0 3 0 0 0 0 0 0 1.1542 -4.7250 0.0000 C 0 0 3 0 0 0 0 0 0 1.5292 -3.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0.3375 -4.7542 0.0000 C 0 0 3 0 0 0 0 0 0 3.2500 -5.3417 0.0000 C 0 0 0 0 0 0 0 0 0 2.4250 -4.5542 0.0000 O 0 0 0 0 0 0 0 0 0 2.4250 -6.2042 0.0000 O 0 0 0 0 0 0 0 0 0 5.7917 -6.6500 0.0000 C 0 0 0 0 0 0 0 0 0 5.3792 -7.3625 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0458 -5.4917 0.0000 S 0 0 0 0 0 0 0 0 0 1.2250 -6.1542 0.0000 C 0 0 0 0 0 0 0 0 0 2.3292 -3.7750 0.0000 O 0 0 0 0 0 0 0 0 0 1.0167 -3.3500 0.0000 N 0 0 0 0 0 0 0 0 0 3.6292 -4.6125 0.0000 C 0 0 0 0 0 0 0 0 0 3.6917 -6.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0.4000 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 4.9000 -5.2667 0.0000 C 0 0 0 0 0 0 0 0 0 4.4542 -4.5667 0.0000 C 0 0 0 0 0 0 0 0 0 4.5167 -6.0042 0.0000 C 0 0 0 0 0 0 0 0 0 1.3125 -2.5792 0.0000 O 0 0 0 0 0 0 0 0 0 6.1750 -5.9167 0.0000 C 0 0 0 0 0 0 0 0 0 5.7250 -5.2250 0.0000 O 0 0 0 0 0 0 0 0 0 4.9625 -8.0750 0.0000 C 0 0 0 0 0 0 0 0 0 -0.4958 -4.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0.5500 -3.9542 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1458 -3.5125 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7875 -4.0292 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 3 1 0 0 0 6 1 1 0 0 0 7 1 2 0 0 0 8 1 2 0 0 0 9 22 1 0 0 0 10 9 3 0 0 0 11 17 1 0 0 0 12 2 1 0 0 0 13 4 2 0 0 0 14 4 1 0 0 0 15 6 2 0 0 0 16 6 1 0 0 0 17 12 1 0 0 0 18 20 1 0 0 0 19 15 1 0 0 0 20 16 2 0 0 0 21 14 1 0 0 0 22 23 1 0 0 0 23 18 1 0 0 0 24 10 1 0 0 0 25 5 1 0 0 0 26 5 1 0 0 0 27 26 1 0 0 0 28 25 1 0 0 0 19 18 2 0 0 0 5 11 1 0 0 0 27 28 1 0 0 0 M END > 7.95860731484177 > 7.61978875828839 $$$$ 11280714532D 1 1.00000 0.00000 0 30 32 0 0 0 999 V2000 2.8042 0.3125 0.0000 S 0 0 3 0 0 0 0 0 0 2.1000 -0.9292 0.0000 C 0 0 0 0 0 0 0 0 0 2.0917 -0.1042 0.0000 N 0 0 3 0 0 0 0 0 0 2.8125 -1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 1.3875 -1.3500 0.0000 C 0 0 0 0 0 0 0 0 0 4.0875 -1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 2.8167 -2.1667 0.0000 C 0 0 0 0 0 0 0 0 0 3.6042 -2.4167 0.0000 S 0 0 0 0 0 0 0 0 0 2.1000 -2.5875 0.0000 N 0 0 0 0 0 0 0 0 0 0.6750 -0.9375 0.0000 C 0 0 0 0 0 0 0 0 0 3.5917 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 1.3875 -2.1750 0.0000 C 0 0 0 0 0 0 0 0 0 3.5167 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 2.3792 1.0333 0.0000 O 0 0 0 0 0 0 0 0 0 3.2125 -0.4000 0.0000 O 0 0 0 0 0 0 0 0 0 7.0917 1.9583 0.0000 C 0 0 0 0 0 0 0 0 0 7.8042 2.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0.6750 -0.1125 0.0000 O 0 0 0 0 0 0 0 0 0 -0.0458 -1.3500 0.0000 N 0 0 0 0 0 0 0 0 0 3.5292 1.5375 0.0000 C 0 0 0 0 0 0 0 0 0 4.2292 0.2958 0.0000 C 0 0 0 0 0 0 0 0 0 1.3750 0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 4.9542 1.5208 0.0000 C 0 0 0 0 0 0 0 0 0 4.9500 0.6958 0.0000 C 0 0 0 0 0 0 0 0 0 4.2417 1.9458 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7583 -0.9375 0.0000 O 0 0 0 0 0 0 0 0 0 6.3875 1.5333 0.0000 C 0 0 0 0 0 0 0 0 0 5.6667 1.9375 0.0000 O 0 0 0 0 0 0 0 0 0 8.5167 2.7833 0.0000 C 0 0 0 0 0 0 0 0 0 3.8417 -0.2917 0.0000 C 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 3 1 1 0 0 0 4 2 2 0 0 0 5 2 1 0 0 0 6 11 2 0 0 0 7 4 1 0 0 0 8 7 1 0 0 0 9 12 1 0 0 0 10 5 1 0 0 0 11 4 1 0 0 0 12 5 2 0 0 0 13 1 1 0 0 0 14 1 2 0 0 0 15 1 2 0 0 0 16 27 1 0 0 0 17 16 3 0 0 0 18 10 2 0 0 0 19 10 1 0 0 0 20 13 1 0 0 0 21 13 2 0 0 0 22 3 1 0 0 0 23 24 2 0 0 0 24 21 1 0 0 0 25 20 2 0 0 0 26 19 1 0 0 0 27 28 1 0 0 0 28 23 1 0 0 0 29 17 1 0 0 0 30 11 1 0 0 0 25 23 1 0 0 0 7 9 2 0 0 0 6 8 1 0 0 0 M END > 7.46852108295774 > 5.63208526120625 $$$$ SciTegic11161115462D 28 30 0 0 0 0 999 V2000 -3.3179 -2.5003 0.0000 C 0 0 -4.0341 -2.9117 0.0000 C 0 0 -4.0358 -3.7331 0.0000 C 0 0 -3.3231 -4.1493 0.0000 O 0 0 -2.6069 -3.7379 0.0000 C 0 0 -2.6035 -2.9103 0.0000 C 0 0 -2.6035 -2.0876 0.0000 S 0 0 -2.1912 -1.3731 0.0000 O 0 0 -3.0162 -1.3733 0.0000 O 0 0 -1.8889 -2.5000 0.0000 C 0 0 -1.8901 -3.3273 0.0000 C 0 0 -1.1753 -3.7402 0.0000 C 0 0 -0.4588 -3.3269 0.0000 C 0 0 -0.4617 -2.4963 0.0000 C 0 0 -1.1771 -2.0872 0.0000 C 0 0 0.2563 -3.7382 0.0000 O 0 0 -4.0324 -2.0880 0.0000 C 0 0 -4.0326 -1.2630 0.0000 O 0 0 -4.7468 -2.5006 0.0000 N 0 0 -5.4614 -2.0883 0.0000 O 0 0 0.9701 -3.3246 0.0000 C 0 0 1.6819 -3.7364 0.0000 C 0 0 2.3952 -3.3235 0.0000 C 0 0 2.3944 -2.4976 0.0000 C 0 0 1.6742 -2.0864 0.0000 C 0 0 0.9638 -2.5017 0.0000 C 0 0 3.1101 -3.7352 0.0000 Cl 0 0 3.1076 -2.0830 0.0000 Cl 0 0 14 15 2 0 15 10 1 0 13 16 1 0 10 7 1 0 7 1 1 0 1 2 1 0 1 17 1 0 1 6 1 0 17 18 2 0 2 3 1 0 17 19 1 0 3 4 1 0 19 20 1 0 10 11 2 0 16 21 1 0 4 5 1 0 21 22 2 0 11 12 1 0 22 23 1 0 5 6 1 0 23 24 2 0 12 13 2 0 24 25 1 0 8 7 2 0 25 26 2 0 26 21 1 0 13 14 1 0 23 27 1 0 7 9 2 0 24 28 1 0 M END > 9.09691001300806 > 5.44369749923271 $$$$ CDK 9/16/09,10:9 33 35 0 0 0 0 0 0 0 0999 V2000 0.8400 -8.5329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1225 -8.1302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1286 -8.9506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1286 -9.7815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8441 -10.1946 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5642 -9.7815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5642 -8.9506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1126 -7.3040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5879 -8.5520 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3084 -8.1474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5514 -8.1153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2700 -8.5231 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.9790 -8.9322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6803 -7.8061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8662 -9.2440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9763 -9.7520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6846 -10.1610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3943 -9.7515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3916 -8.9287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6828 -8.5233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1105 -10.1635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1117 -10.9897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3969 -11.4039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6766 -11.8102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9606 -12.2188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8428 -11.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1268 -11.4329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5578 -11.4349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5835 -11.0152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2991 -11.4266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3007 -12.2537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5808 -12.6677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1319 -12.2538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 8 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 2 9 1 0 0 0 0 18 19 1 0 0 0 0 1 2 1 0 0 0 0 19 20 2 0 0 0 0 20 13 1 0 0 0 0 9 10 1 0 0 0 0 18 21 1 0 0 0 0 3 1 1 0 0 0 0 21 22 1 0 0 0 0 1 11 1 0 0 0 0 22 23 1 0 0 0 0 4 5 1 0 0 0 0 23 24 3 0 0 0 0 11 12 1 0 0 0 0 24 25 1 0 0 0 0 5 6 1 0 0 0 0 5 26 1 0 0 0 0 12 13 1 0 0 0 0 26 27 1 0 0 0 0 6 7 1 0 0 0 0 26 28 2 0 0 0 0 12 14 2 0 0 0 0 27 29 2 0 0 0 0 7 1 1 0 0 0 0 29 30 1 0 0 0 0 12 15 2 0 0 0 0 30 31 2 0 0 0 0 3 4 1 0 0 0 0 31 32 1 0 0 0 0 13 16 2 0 0 0 0 32 33 2 0 0 0 0 33 27 1 0 0 0 0 M END > 7.22914798835786 > 5.51712641639125 $$$$ 11280715242D 1 1.00000 0.00000 0 31 33 0 0 0 999 V2000 4.8750 -1.2167 0.0000 S 0 0 3 0 0 0 0 0 0 4.8750 -1.8167 0.0000 N 0 0 3 0 0 0 0 0 0 4.3625 -2.1167 0.0000 C 0 0 3 0 0 0 0 0 0 4.8750 -3.0167 0.0000 N 0 0 3 0 0 0 0 0 0 4.8750 -3.6167 0.0000 C 0 0 0 0 0 0 0 0 0 3.8417 -1.8167 0.0000 C 0 0 0 0 0 0 0 0 0 4.3625 -2.7167 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -2.1167 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -0.9167 0.0000 C 0 0 0 0 0 0 0 0 0 4.3250 -0.8375 0.0000 O 0 0 0 0 0 0 0 0 0 5.5875 -1.6292 0.0000 O 0 0 0 0 0 0 0 0 0 5.3917 -2.7167 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -3.9167 0.0000 O 0 0 0 0 0 0 0 0 0 4.3542 -3.9167 0.0000 O 0 0 0 0 0 0 0 0 0 3.8375 -1.2167 0.0000 O 0 0 0 0 0 0 0 0 0 3.3167 -2.1167 0.0000 N 0 0 0 0 0 0 0 0 0 4.3542 -5.7167 0.0000 N 0 0 0 0 0 0 0 0 0 5.3917 -0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 5.9125 -1.2167 0.0000 C 0 0 0 0 0 0 0 0 0 4.8750 -4.8167 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -4.5167 0.0000 C 0 0 0 0 0 0 0 0 0 6.4292 -0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 6.4292 -0.9167 0.0000 C 0 0 0 0 0 0 0 0 0 5.9042 -0.0167 0.0000 C 0 0 0 0 0 0 0 0 0 2.8000 -1.8167 0.0000 O 0 0 0 0 0 0 0 0 0 4.8750 -5.4167 0.0000 C 0 0 0 0 0 0 0 0 0 6.9500 -0.0167 0.0000 O 0 0 0 0 0 0 0 0 0 3.8292 -5.4167 0.0000 C 0 0 0 0 0 0 0 0 0 4.3542 -4.5167 0.0000 C 0 0 0 0 0 0 0 0 0 7.4667 -0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 3.8292 -4.8125 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 12 1 0 0 0 5 4 1 0 0 0 6 3 1 0 0 0 7 3 1 0 0 0 8 2 1 0 0 0 9 1 1 0 0 0 10 1 2 0 0 0 11 1 2 0 0 0 12 8 1 0 0 0 13 5 1 0 0 0 14 5 2 0 0 0 15 6 2 0 0 0 16 6 1 0 0 0 17 26 2 0 0 0 18 9 1 0 0 0 19 9 2 0 0 0 20 21 1 0 0 0 21 13 1 0 0 0 22 23 2 0 0 0 23 19 1 0 0 0 24 18 2 0 0 0 25 16 1 0 0 0 26 20 1 0 0 0 27 22 1 0 0 0 28 31 2 0 0 0 29 20 2 0 0 0 30 27 1 0 0 0 31 29 1 0 0 0 22 24 1 0 0 0 4 7 1 0 0 0 28 17 1 0 0 0 M END > 9 > 7.74472749489669 $$$$ 11280714532D 1 1.00000 0.00000 0 35 38 0 0 0 999 V2000 2.5667 0.3750 0.0000 S 0 0 3 0 0 0 0 0 0 1.8542 -0.0417 0.0000 N 0 0 3 0 0 0 0 0 0 1.8625 -0.8667 0.0000 C 0 0 0 0 0 0 0 0 0 1.1500 -1.2875 0.0000 C 0 0 0 0 0 0 0 0 0 2.5792 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 1.8625 -2.5250 0.0000 N 0 0 0 0 0 0 0 0 0 2.5792 -2.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0.4375 -0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 1.1500 -2.1125 0.0000 C 0 0 0 0 0 0 0 0 0 3.2792 0.7833 0.0000 C 0 0 0 0 0 0 0 0 0 2.9750 -0.3375 0.0000 O 0 0 0 0 0 0 0 0 0 2.1500 1.0958 0.0000 O 0 0 0 0 0 0 0 0 0 1.1375 0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 3.2917 -2.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0.4375 -0.0500 0.0000 O 0 0 0 0 0 0 0 0 0 1.8375 2.4250 0.0000 N 0 0 0 0 0 0 0 0 0 -0.2833 -1.2875 0.0000 N 0 0 0 0 0 0 0 0 0 1.1292 1.1875 0.0000 C 0 0 0 0 0 0 0 0 0 3.2917 1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 3.9917 0.3583 0.0000 C 0 0 0 0 0 0 0 0 0 3.2875 -0.8667 0.0000 C 0 0 0 0 0 0 0 0 0 4.7167 1.5833 0.0000 C 0 0 0 0 0 0 0 0 0 4.7125 0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 4.0042 2.0083 0.0000 C 0 0 0 0 0 0 0 0 0 -0.9958 -0.8750 0.0000 O 0 0 0 0 0 0 0 0 0 3.2917 -3.3417 0.0000 O 0 0 0 0 0 0 0 0 0 1.8500 1.6083 0.0000 C 0 0 0 0 0 0 0 0 0 5.4417 1.9875 0.0000 O 0 0 0 0 0 0 0 0 0 4.0042 -1.2750 0.0000 C 0 0 0 0 0 0 0 0 0 4.0042 -2.1042 0.0000 C 0 0 0 0 0 0 0 0 0 1.1167 2.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0.4167 1.5958 0.0000 C 0 0 0 0 0 0 0 0 0 2.5792 -3.7625 0.0000 C 0 0 0 0 0 0 0 0 0 6.1500 1.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0.4125 2.4208 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 3 2 0 0 0 6 7 2 0 0 0 7 5 1 0 0 0 8 4 1 0 0 0 9 4 2 0 0 0 10 1 1 0 0 0 11 1 2 0 0 0 12 1 2 0 0 0 13 2 1 0 0 0 14 7 1 0 0 0 15 8 2 0 0 0 16 27 2 0 0 0 17 8 1 0 0 0 18 13 1 0 0 0 19 10 1 0 0 0 20 10 2 0 0 0 21 5 1 0 0 0 22 23 2 0 0 0 23 20 1 0 0 0 24 19 2 0 0 0 25 17 1 0 0 0 26 14 1 0 0 0 27 18 1 0 0 0 28 22 1 0 0 0 29 21 2 0 0 0 30 29 1 0 0 0 31 35 2 0 0 0 32 18 2 0 0 0 33 26 1 0 0 0 34 28 1 0 0 0 35 32 1 0 0 0 22 24 1 0 0 0 6 9 1 0 0 0 31 16 1 0 0 0 30 14 2 0 0 0 M END > 9 > 7.33724216831843 $$$$ 11280715432D 1 1.00000 0.00000 0 27 28 0 0 0 999 V2000 -0.7583 1.0500 0.0000 S 0 0 3 0 0 0 0 0 0 -0.7708 0.2250 0.0000 N 0 0 3 0 0 0 0 0 0 -1.5208 -0.1167 0.0000 C 0 0 3 0 0 0 0 0 0 -2.1583 0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0208 -0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7083 -0.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0.0667 1.0500 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7625 1.8958 0.0000 O 0 0 0 0 0 0 0 0 0 -1.5833 1.0500 0.0000 O 0 0 0 0 0 0 0 0 0 2.5542 -0.3875 0.0000 C 0 0 0 0 0 0 0 0 0 2.9667 -1.1125 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3708 -1.5917 0.0000 N 0 0 3 0 0 0 0 0 0 -2.1583 1.2250 0.0000 O 0 0 0 0 0 0 0 0 0 -2.9083 0.0458 0.0000 N 0 0 0 0 0 0 0 0 0 0.1542 -0.9542 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1958 -1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0.4792 1.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0.4792 0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 1.7250 1.0500 0.0000 C 0 0 0 0 0 0 0 0 0 1.3042 1.7708 0.0000 C 0 0 0 0 0 0 0 0 0 1.3042 0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 -3.5833 0.5125 0.0000 O 0 0 0 0 0 0 0 0 0 2.9667 0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 2.5542 1.0500 0.0000 O 0 0 0 0 0 0 0 0 0 -0.0208 -2.3375 0.0000 C 0 0 0 0 0 0 0 0 0 3.3792 -1.8167 0.0000 C 0 0 0 0 0 0 0 0 0 -0.4833 -3.0167 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 2 1 0 0 0 6 3 1 0 0 0 7 1 1 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 23 1 0 0 0 11 10 3 0 0 0 12 15 1 0 0 0 13 4 2 0 0 0 14 4 1 0 0 0 15 5 1 0 0 0 16 6 1 0 0 0 17 7 1 0 0 0 18 7 2 0 0 0 19 21 2 0 0 0 20 17 2 0 0 0 21 18 1 0 0 0 22 14 1 0 0 0 23 24 1 0 0 0 24 19 1 0 0 0 25 12 1 0 0 0 26 11 1 0 0 0 27 25 1 0 0 0 19 20 1 0 0 0 12 16 1 0 0 0 M END > 7.76955107862173 > 6.54515513999149 $$$$ 11280715082D 1 1.00000 0.00000 0 32 34 0 0 0 999 V2000 1.6625 -0.5000 0.0000 S 0 0 3 0 0 0 0 0 0 0.5750 -1.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0.8750 -0.5042 0.0000 N 0 0 3 0 0 0 0 0 0 0.8750 -1.5417 0.0000 C 0 0 0 0 0 0 0 0 0 1.6292 -1.6875 0.0000 N 0 3 0 0 0 0 0 0 0 -0.0250 -1.0250 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3333 -0.5042 0.0000 C 0 0 0 0 0 0 0 0 0 2.2542 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 1.2792 0.1583 0.0000 O 0 0 0 0 0 0 0 0 0 2.1167 0.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0.5667 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 2.2875 -2.1542 0.0000 O 0 5 0 0 0 0 0 0 0 1.1292 -2.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0.0042 0.1583 0.0000 O 0 0 0 0 0 0 0 0 0 -0.9333 -0.5042 0.0000 N 0 0 0 0 0 0 0 0 0 2.5542 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 2.5542 -1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0.5750 -2.0542 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3208 -1.5417 0.0000 C 0 0 0 0 0 0 0 0 0 3.4542 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0.8667 0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 3.1542 -1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 3.1542 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 -1.2750 0.1875 0.0000 O 0 0 0 0 0 0 0 0 0 4.0542 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 -0.0250 -2.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0.5667 1.0500 0.0000 C 0 0 0 0 0 0 0 0 0 1.3917 0.5083 0.0000 C 0 0 0 0 0 0 0 0 0 4.3542 -1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0.8667 1.5708 0.0000 C 0 0 0 0 0 0 0 0 0 1.7667 1.0583 0.0000 C 0 0 0 0 0 0 0 0 0 1.4667 1.5750 0.0000 C 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 3 1 1 0 0 0 4 2 2 0 0 0 5 4 1 0 0 0 6 2 1 0 0 0 7 6 1 0 0 0 8 1 1 0 0 0 9 1 2 0 0 0 10 1 2 0 0 0 11 3 1 0 0 0 12 5 1 0 0 0 13 5 2 0 0 0 14 7 2 0 0 0 15 7 1 0 0 0 16 8 1 0 0 0 17 8 2 0 0 0 18 4 1 0 0 0 19 6 2 0 0 0 20 22 2 0 0 0 21 11 1 0 0 0 22 17 1 0 0 0 23 16 2 0 0 0 24 15 1 0 0 0 25 20 1 0 0 0 26 19 1 0 0 0 27 21 1 0 0 0 28 21 2 0 0 0 29 25 1 0 0 0 30 27 2 0 0 0 31 28 1 0 0 0 32 31 2 0 0 0 20 23 1 0 0 0 26 18 2 0 0 0 30 32 1 0 0 0 M CHG 2 5 1 12 -1 M END > 7.3767507096021 > 6.69464863055338 $$$$ 11280715242D 1 1.00000 0.00000 0 24 25 0 0 0 999 V2000 4.8750 -2.1167 0.0000 S 0 0 3 0 0 0 0 0 0 4.8750 -2.7167 0.0000 N 0 0 3 0 0 0 0 0 0 4.3625 -3.0167 0.0000 C 0 0 3 0 0 0 0 0 0 4.8750 -3.9167 0.0000 N 0 0 3 0 0 0 0 0 0 3.8417 -2.7167 0.0000 C 0 0 0 0 0 0 0 0 0 4.3625 -3.6167 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -3.0167 0.0000 C 0 0 0 0 0 0 0 0 0 4.8750 -4.5167 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -1.8167 0.0000 C 0 0 0 0 0 0 0 0 0 4.3250 -1.7375 0.0000 O 0 0 0 0 0 0 0 0 0 5.5875 -2.5292 0.0000 O 0 0 0 0 0 0 0 0 0 5.3917 -3.6167 0.0000 C 0 0 0 0 0 0 0 0 0 3.8375 -2.1167 0.0000 O 0 0 0 0 0 0 0 0 0 4.3542 -4.8167 0.0000 O 0 0 0 0 0 0 0 0 0 3.3167 -3.0167 0.0000 N 0 0 0 0 0 0 0 0 0 5.3917 -1.2167 0.0000 C 0 0 0 0 0 0 0 0 0 5.9125 -2.1167 0.0000 C 0 0 0 0 0 0 0 0 0 6.4292 -1.2167 0.0000 C 0 0 0 0 0 0 0 0 0 6.4292 -1.8167 0.0000 C 0 0 0 0 0 0 0 0 0 5.9042 -0.9167 0.0000 C 0 0 0 0 0 0 0 0 0 2.8000 -2.7167 0.0000 O 0 0 0 0 0 0 0 0 0 6.9500 -0.9167 0.0000 O 0 0 0 0 0 0 0 0 0 5.3917 -4.8167 0.0000 C 0 0 0 0 0 0 0 0 0 7.4667 -1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 12 1 0 0 0 5 3 1 0 0 0 6 3 1 0 0 0 7 2 1 0 0 0 8 4 1 0 0 0 9 1 1 0 0 0 10 1 2 0 0 0 11 1 2 0 0 0 12 7 1 0 0 0 13 5 2 0 0 0 14 8 2 0 0 0 15 5 1 0 0 0 16 9 1 0 0 0 17 9 2 0 0 0 18 19 2 0 0 0 19 17 1 0 0 0 20 16 2 0 0 0 21 15 1 0 0 0 22 18 1 0 0 0 23 8 1 0 0 0 24 22 1 0 0 0 20 18 1 0 0 0 4 6 1 0 0 0 M END > 9 > 7.13667713987954 $$$$ 11280714502D 1 1.00000 0.00000 0 37 38 0 1 0 999 V2000 5.8417 -0.7667 0.0000 N 0 0 0 0 0 0 0 0 0 5.1125 -1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 2.9667 -0.7500 0.0000 P 0 0 3 0 0 0 0 0 0 4.3917 -0.7500 0.0000 C 0 0 3 0 0 0 0 0 0 6.5625 -1.2167 0.0000 C 0 0 1 0 0 0 0 0 0 4.3792 1.5125 0.0000 C 0 0 3 0 0 0 0 0 0 6.3917 -2.0167 0.0000 C 0 0 0 0 0 0 0 0 0 3.6875 -1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 7.3542 -0.9625 0.0000 C 0 0 3 0 0 0 0 0 0 2.9625 0.0750 0.0000 O 0 0 0 0 0 0 0 0 0 5.1125 -1.9750 0.0000 O 0 0 0 0 0 0 0 0 0 4.3917 0.0750 0.0000 C 0 0 0 0 0 0 0 0 0 5.6000 -2.2667 0.0000 O 0 0 0 0 0 0 0 0 0 2.2417 -1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 3.9792 0.7958 0.0000 C 0 0 0 0 0 0 0 0 0 6.9917 -2.5792 0.0000 N 0 0 0 0 0 0 0 0 0 2.9625 -1.5625 0.0000 O 0 0 0 0 0 0 0 0 0 5.0792 1.0375 0.0000 F 0 0 0 0 0 0 0 0 0 3.7042 2.0333 0.0000 F 0 0 0 0 0 0 0 0 0 4.9625 2.1000 0.0000 F 0 0 0 0 0 0 0 0 0 1.5375 -0.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0.1125 0.0750 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6083 0.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0.8167 -1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0.1125 -0.7542 0.0000 C 0 0 0 0 0 0 0 0 0 1.5375 0.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0.8167 0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6083 1.3083 0.0000 C 0 0 0 0 0 0 0 0 0 7.3792 -0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 8.0042 -1.4542 0.0000 C 0 0 0 0 0 0 0 0 0 8.0542 -0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 7.7792 -2.3167 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3208 1.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0.1167 1.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0.1167 2.5458 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3083 2.5500 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5958 2.9625 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 8 1 0 0 0 4 2 1 0 0 0 5 1 1 0 0 0 6 15 1 0 0 0 7 5 1 0 0 0 8 4 1 0 0 0 5 9 1 6 0 0 10 3 2 0 0 0 11 2 2 0 0 0 4 12 1 0 0 0 13 7 2 0 0 0 14 3 1 0 0 0 15 12 1 0 0 0 16 7 1 0 0 0 17 3 1 0 0 0 18 6 1 0 0 0 19 6 1 0 0 0 20 6 1 0 0 0 21 14 1 0 0 0 22 27 1 0 0 0 23 22 1 0 0 0 24 21 2 0 0 0 25 24 1 0 0 0 26 21 1 0 0 0 27 26 2 0 0 0 28 23 1 0 0 0 29 9 1 0 0 0 30 9 1 0 0 0 31 9 1 0 0 0 32 16 1 0 0 0 33 28 2 0 0 0 34 28 1 0 0 0 35 34 2 0 0 0 36 33 1 0 0 0 37 35 1 0 0 0 22 25 2 0 0 0 36 37 2 0 0 0 M END > 5.79588001734407 > 7.34678748622466 $$$$ 11280715172D 1 1.00000 0.00000 0 42 44 0 0 0 999 V2000 2.3167 -3.1667 0.0000 S 0 0 3 0 0 0 0 0 0 1.7167 -3.1667 0.0000 N 0 0 3 0 0 0 0 0 0 1.4167 -3.6792 0.0000 C 0 0 3 0 0 0 0 0 0 1.7167 -4.2042 0.0000 C 0 0 0 0 0 0 0 0 0 1.2917 -2.7417 0.0000 C 0 0 0 0 0 0 0 0 0 2.3167 -2.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0.6917 -2.7417 0.0000 C 0 0 0 0 0 0 0 0 0 2.3167 -3.7667 0.0000 O 0 0 0 0 0 0 0 0 0 2.9167 -3.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0.3917 -2.2167 0.0000 N 0 0 0 0 0 0 0 0 0 2.2917 -4.3542 0.0000 O 0 0 0 0 0 0 0 0 0 -1.1708 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 1.5542 -4.7792 0.0000 N 0 0 0 0 0 0 0 0 0 -0.6583 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1708 -1.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0.3917 -3.2542 0.0000 O 0 0 0 0 0 0 0 0 0 -0.1333 -1.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0.8292 -3.8417 0.0000 C 0 0 0 0 0 0 0 0 0 2.8417 -2.2667 0.0000 C 0 0 0 0 0 0 0 0 0 1.8042 -2.2667 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1333 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6458 -1.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0.3917 -1.6167 0.0000 C 0 0 0 0 0 0 0 0 0 2.3167 -1.3667 0.0000 C 0 0 0 0 0 0 0 0 0 2.8417 -1.6667 0.0000 C 0 0 0 0 0 0 0 0 0 1.8042 -1.6667 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0583 -4.5042 0.0000 S 0 0 0 0 0 0 0 0 0 1.5542 -5.3792 0.0000 O 0 0 0 0 0 0 0 0 0 -0.6583 0.1833 0.0000 O 0 0 0 0 0 0 0 0 0 -1.6958 -1.6167 0.0000 O 0 0 0 0 0 0 0 0 0 2.3167 -0.7667 0.0000 O 0 0 0 0 0 0 0 0 0 -0.7958 -5.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0.5292 -4.3542 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2083 -5.0917 0.0000 C 0 0 0 0 0 0 0 0 0 -2.2083 -1.3167 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1833 0.4833 0.0000 C 0 0 0 0 0 0 0 0 0 2.8292 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 -1.2208 -4.8042 0.0000 C 0 0 0 0 0 0 0 0 0 -0.9583 -5.8167 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5333 -5.9792 0.0000 C 0 0 0 0 0 0 0 0 0 -1.8083 -4.9667 0.0000 C 0 0 0 0 0 0 0 0 0 -1.9583 -5.5417 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 2 1 0 0 0 6 1 1 0 0 0 7 5 1 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 7 1 0 0 0 11 4 2 0 0 0 12 15 2 0 0 0 13 4 1 0 0 0 14 21 2 0 0 0 15 22 1 0 0 0 16 7 2 0 0 0 17 23 1 0 0 0 18 3 1 0 0 0 19 6 2 0 0 0 20 6 1 0 0 0 21 17 1 0 0 0 22 17 2 0 0 0 23 10 1 0 0 0 24 26 1 0 0 0 25 19 1 0 0 0 26 20 2 0 0 0 27 33 1 0 0 0 28 13 1 0 0 0 29 14 1 0 0 0 30 15 1 0 0 0 31 24 1 0 0 0 32 34 1 0 0 0 33 18 1 0 0 0 34 27 1 0 0 0 35 30 1 0 0 0 36 29 1 0 0 0 37 31 1 0 0 0 38 32 2 0 0 0 39 32 1 0 0 0 40 39 2 0 0 0 41 38 1 0 0 0 42 40 1 0 0 0 24 25 2 0 0 0 12 14 1 0 0 0 42 41 2 0 0 0 M END > 8.63827216398241 > 7.44369749923271 $$$$ 11280715002D 1 1.00000 0.00000 0 26 27 0 0 0 999 V2000 5.7042 -7.1792 0.0000 S 0 0 3 0 0 0 0 0 0 5.1792 -6.8792 0.0000 N 0 0 3 0 0 0 0 0 0 7.2667 -5.0667 0.0000 N 0 3 0 0 0 0 0 0 0 4.6542 -7.1792 0.0000 C 0 0 0 0 0 0 0 0 0 4.1292 -6.8792 0.0000 C 0 0 0 0 0 0 0 0 0 6.2292 -7.4792 0.0000 C 0 0 0 0 0 0 0 0 0 6.0125 -6.6625 0.0000 O 0 0 0 0 0 0 0 0 0 5.4000 -7.7042 0.0000 O 0 0 0 0 0 0 0 0 0 6.7500 -5.3667 0.0000 C 0 0 0 0 0 0 0 0 0 7.7917 -5.3667 0.0000 O 0 5 0 0 0 0 0 0 0 5.1792 -6.2750 0.0000 C 0 0 0 0 0 0 0 0 0 7.2667 -4.4625 0.0000 O 0 0 0 0 0 0 0 0 0 3.6125 -7.1792 0.0000 O 0 0 0 0 0 0 0 0 0 4.1292 -6.2750 0.0000 N 0 0 0 0 0 0 0 0 0 6.2167 -8.0875 0.0000 C 0 0 0 0 0 0 0 0 0 6.7417 -7.1792 0.0000 C 0 0 0 0 0 0 0 0 0 6.7500 -5.9667 0.0000 C 0 0 0 0 0 0 0 0 0 6.2167 -5.0667 0.0000 C 0 0 0 0 0 0 0 0 0 5.7042 -5.9667 0.0000 C 0 0 0 0 0 0 0 0 0 7.2667 -8.0875 0.0000 C 0 0 0 0 0 0 0 0 0 5.7042 -5.3667 0.0000 C 0 0 0 0 0 0 0 0 0 6.2292 -6.2750 0.0000 C 0 0 0 0 0 0 0 0 0 7.2625 -7.4792 0.0000 C 0 0 0 0 0 0 0 0 0 6.7500 -8.3875 0.0000 C 0 0 0 0 0 0 0 0 0 7.7917 -8.3875 0.0000 Cl 0 0 0 0 0 0 0 0 0 3.6125 -5.9667 0.0000 O 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 9 1 0 0 0 4 2 1 0 0 0 5 4 1 0 0 0 6 1 1 0 0 0 7 1 2 0 0 0 8 1 2 0 0 0 9 17 2 0 0 0 10 3 1 0 0 0 11 2 1 0 0 0 12 3 2 0 0 0 13 5 2 0 0 0 14 5 1 0 0 0 15 6 2 0 0 0 16 6 1 0 0 0 17 22 1 0 0 0 18 21 2 0 0 0 19 11 1 0 0 0 20 23 1 0 0 0 21 19 1 0 0 0 22 19 2 0 0 0 23 16 2 0 0 0 24 15 1 0 0 0 25 20 1 0 0 0 26 14 1 0 0 0 24 20 2 0 0 0 9 18 1 0 0 0 M CHG 2 3 1 10 -1 M END > 7.38721614328026 > 7.65757731917779 $$$$ 11280715212D 1 1.00000 0.00000 0 30 33 0 1 0 999 V2000 -2.5333 2.0333 0.0000 C 0 0 2 0 0 0 0 0 0 -1.0875 2.0208 0.0000 S 0 0 3 0 0 0 0 0 0 -1.8125 2.4458 0.0000 N 0 0 0 0 0 0 0 0 0 -3.2500 2.4458 0.0000 C 0 0 0 0 0 0 0 0 0 -3.2458 1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 -1.8208 1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3625 1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 -2.5333 0.3833 0.0000 O 0 0 0 0 0 0 0 0 0 -0.6583 2.7458 0.0000 O 0 0 0 0 0 0 0 0 0 -1.3708 1.2958 0.0000 O 0 0 0 0 0 0 0 0 0 -3.2458 0.7875 0.0000 C 0 0 3 0 0 0 0 0 0 -1.8208 0.7875 0.0000 C 0 0 3 0 0 0 0 0 0 -3.2500 3.2833 0.0000 O 0 0 0 0 0 0 0 0 0 -3.9708 2.0333 0.0000 N 0 0 0 0 0 0 0 0 0 1.7917 0.3375 0.0000 O 0 0 0 0 0 0 0 0 0 -0.3625 0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0.3542 2.0083 0.0000 C 0 0 0 0 0 0 0 0 0 1.0750 0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 1.7917 -0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 1.7917 -2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 1.0750 1.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0.3542 0.3375 0.0000 C 0 0 0 0 0 0 0 0 0 -3.2458 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 -1.8208 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 1.7917 -2.9792 0.0000 Cl 0 0 0 0 0 0 0 0 0 -3.9708 1.1958 0.0000 O 0 0 0 0 0 0 0 0 0 2.5042 -0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 1.0667 -0.9042 0.0000 C 0 0 0 0 0 0 0 0 0 1.0667 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 2.5167 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 1 3 1 1 0 0 4 1 1 0 0 0 5 1 1 0 0 0 6 1 1 0 0 0 7 2 1 0 0 0 8 12 1 0 0 0 9 2 2 0 0 0 10 2 2 0 0 0 11 5 1 0 0 0 12 6 1 0 0 0 13 4 2 0 0 0 14 4 1 0 0 0 15 18 1 0 0 0 16 7 2 0 0 0 17 7 1 0 0 0 18 21 1 0 0 0 19 15 1 0 0 0 20 29 2 0 0 0 21 17 2 0 0 0 22 16 1 0 0 0 23 11 1 0 0 0 24 12 1 0 0 0 25 20 1 0 0 0 26 14 1 0 0 0 27 19 1 0 0 0 28 19 2 0 0 0 29 28 1 0 0 0 30 27 2 0 0 0 8 11 1 0 0 0 24 23 1 0 0 0 18 22 2 0 0 0 20 30 1 0 0 0 M END > 9.18708664335714 > 6.74472749489669 $$$$ 11280715072D 1 1.00000 0.00000 0 30 32 0 0 0 999 V2000 4.0250 -2.2500 0.0000 S 0 0 3 0 0 0 0 0 0 3.2375 -2.2542 0.0000 N 0 0 3 0 0 0 0 0 0 2.9375 -2.7750 0.0000 C 0 0 0 0 0 0 0 0 0 2.3375 -2.7750 0.0000 C 0 0 0 0 0 0 0 0 0 2.0292 -2.2542 0.0000 C 0 0 0 0 0 0 0 0 0 4.6250 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 3.9917 -1.5917 0.0000 O 0 0 0 0 0 0 0 0 0 4.0250 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 2.9292 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 3.2375 -3.2917 0.0000 C 0 0 0 0 0 0 0 0 0 2.3667 -1.5917 0.0000 O 0 0 0 0 0 0 0 0 0 1.4292 -2.2542 0.0000 N 0 0 0 0 0 0 0 0 0 4.9167 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 4.9167 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 2.0417 -3.2917 0.0000 C 0 0 0 0 0 0 0 0 0 5.8167 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 3.2292 -1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 5.5167 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 5.5167 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 1.0875 -1.5625 0.0000 O 0 0 0 0 0 0 0 0 0 6.4167 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 2.3375 -3.8042 0.0000 C 0 0 0 0 0 0 0 0 0 2.9375 -3.8042 0.0000 C 0 0 0 0 0 0 0 0 0 3.7125 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 3.8292 -1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 2.9292 -0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 6.7167 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 4.1292 -0.6917 0.0000 C 0 0 0 0 0 0 0 0 0 3.2292 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 3.8292 -0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 6 1 1 0 0 0 7 1 2 0 0 0 8 1 2 0 0 0 9 2 1 0 0 0 10 3 2 0 0 0 11 5 2 0 0 0 12 5 1 0 0 0 13 6 2 0 0 0 14 6 1 0 0 0 15 4 2 0 0 0 16 18 1 0 0 0 17 9 1 0 0 0 18 14 2 0 0 0 19 13 1 0 0 0 20 12 1 0 0 0 21 16 1 0 0 0 22 23 2 0 0 0 23 10 1 0 0 0 24 10 1 0 0 0 25 17 2 0 0 0 26 17 1 0 0 0 27 21 1 0 0 0 28 25 1 0 0 0 29 26 2 0 0 0 30 29 1 0 0 0 16 19 2 0 0 0 22 15 1 0 0 0 30 28 2 0 0 0 M END > 7.30102999566398 > 6.93930215964639 $$$$ 11280715302D 1 1.00000 0.00000 0 26 27 0 1 0 999 V2000 5.4792 -4.9417 0.0000 S 0 0 3 0 0 0 0 0 0 5.4792 -5.7542 0.0000 N 0 0 3 0 0 0 0 0 0 4.7292 -6.1042 0.0000 C 0 0 1 0 0 0 0 0 0 4.1042 -5.5875 0.0000 C 0 0 0 0 0 0 0 0 0 4.3875 -6.8542 0.0000 C 0 0 3 0 0 0 0 0 0 5.4792 -4.1167 0.0000 C 0 0 0 0 0 0 0 0 0 6.3042 -4.9417 0.0000 O 0 0 0 0 0 0 0 0 0 4.6667 -4.9292 0.0000 O 0 0 0 0 0 0 0 0 0 4.5917 -7.6417 0.0000 S 0 0 0 0 0 0 0 0 0 6.2667 -5.9667 0.0000 C 0 0 0 0 0 0 0 0 0 4.0917 -4.7667 0.0000 O 0 0 0 0 0 0 0 0 0 3.3625 -5.9375 0.0000 N 0 0 0 0 0 0 0 0 0 4.7667 -3.7167 0.0000 C 0 0 0 0 0 0 0 0 0 6.1917 -3.7000 0.0000 C 0 0 0 0 0 0 0 0 0 6.6625 -7.4667 0.0000 O 0 0 0 0 0 0 0 0 0 5.4667 -2.4667 0.0000 C 0 0 0 0 0 0 0 0 0 4.7625 -2.9000 0.0000 C 0 0 0 0 0 0 0 0 0 6.1792 -2.8792 0.0000 C 0 0 0 0 0 0 0 0 0 2.6875 -5.4750 0.0000 O 0 0 0 0 0 0 0 0 0 5.4625 -1.6542 0.0000 O 0 0 0 0 0 0 0 0 0 6.7417 -6.6417 0.0000 C 0 0 0 0 0 0 0 0 0 3.9667 -6.1417 0.0000 C 0 0 0 0 0 0 0 0 0 3.8042 -7.4292 0.0000 C 0 0 0 0 0 0 0 0 0 5.2625 -8.1167 0.0000 C 0 0 0 0 0 0 0 0 0 6.0792 -8.0375 0.0000 C 0 0 0 0 0 0 0 0 0 6.1667 -1.2417 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 3 4 1 6 0 0 5 3 1 0 0 0 6 1 1 0 0 0 7 1 2 0 0 0 8 1 2 0 0 0 9 5 1 0 0 0 10 2 1 0 0 0 11 4 2 0 0 0 12 4 1 0 0 0 13 6 1 0 0 0 14 6 2 0 0 0 15 21 1 0 0 0 16 18 2 0 0 0 17 13 2 0 0 0 18 14 1 0 0 0 19 12 1 0 0 0 20 16 1 0 0 0 21 10 1 0 0 0 22 5 1 0 0 0 23 5 1 0 0 0 24 9 1 0 0 0 25 15 1 0 0 0 26 20 1 0 0 0 17 16 1 0 0 0 24 25 1 0 0 0 M END > 9.69897000433602 > 9 $$$$ 11280714532D 1 1.00000 0.00000 0 33 36 0 0 0 999 V2000 1.3792 0.7083 0.0000 S 0 0 3 0 0 0 0 0 0 0.6667 0.2875 0.0000 N 0 0 3 0 0 0 0 0 0 0.6750 -0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 1.3875 -0.9417 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0375 -0.9500 0.0000 C 0 0 0 0 0 0 0 0 0 2.6625 -1.3542 0.0000 N 0 0 0 0 0 0 0 0 0 1.3917 -1.7750 0.0000 C 0 0 0 0 0 0 0 0 0 2.1792 -2.0250 0.0000 S 0 0 0 0 0 0 0 0 0 0.6750 -2.1917 0.0000 N 0 0 0 0 0 0 0 0 0 -0.7500 -0.5417 0.0000 C 0 0 0 0 0 0 0 0 0 2.1667 -0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0375 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 2.0917 1.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0.9625 1.4250 0.0000 O 0 0 0 0 0 0 0 0 0 1.7875 -0.0042 0.0000 O 0 0 0 0 0 0 0 0 0 -0.0500 0.6958 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7500 0.2833 0.0000 O 0 0 0 0 0 0 0 0 0 0.6542 2.7708 0.0000 N 0 0 0 0 0 0 0 0 0 -1.4708 -0.9542 0.0000 N 0 0 0 0 0 0 0 0 0 -0.0583 1.5208 0.0000 C 0 0 0 0 0 0 0 0 0 2.1042 1.9333 0.0000 C 0 0 0 0 0 0 0 0 0 2.8042 0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 3.5292 1.9208 0.0000 C 0 0 0 0 0 0 0 0 0 3.5250 1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 2.8167 2.3375 0.0000 C 0 0 0 0 0 0 0 0 0 -2.1833 -0.5417 0.0000 O 0 0 0 0 0 0 0 0 0 0.6625 1.9375 0.0000 C 0 0 0 0 0 0 0 0 0 4.2417 2.3333 0.0000 O 0 0 0 0 0 0 0 0 0 2.4167 0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0625 3.1708 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7708 1.9250 0.0000 C 0 0 0 0 0 0 0 0 0 4.9625 1.9333 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7750 2.7458 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 2 0 0 0 5 3 1 0 0 0 6 11 2 0 0 0 7 4 1 0 0 0 8 7 1 0 0 0 9 12 1 0 0 0 10 5 1 0 0 0 11 4 1 0 0 0 12 5 2 0 0 0 13 1 1 0 0 0 14 1 2 0 0 0 15 1 2 0 0 0 16 2 1 0 0 0 17 10 2 0 0 0 18 27 1 0 0 0 19 10 1 0 0 0 20 16 1 0 0 0 21 13 1 0 0 0 22 13 2 0 0 0 23 24 2 0 0 0 24 22 1 0 0 0 25 21 2 0 0 0 26 19 1 0 0 0 27 20 2 0 0 0 28 23 1 0 0 0 29 11 1 0 0 0 30 33 1 0 0 0 31 20 1 0 0 0 32 28 1 0 0 0 33 31 2 0 0 0 25 23 1 0 0 0 7 9 2 0 0 0 6 8 1 0 0 0 30 18 2 0 0 0 M END > 8.52287874528034 > 6.25963731050576 $$$$ 11280715082D 1 1.00000 0.00000 0 32 35 0 0 0 999 V2000 9.7167 -0.6375 0.0000 C 0 0 3 0 0 0 0 0 0 9.0042 -1.0542 0.0000 S 0 0 3 0 0 0 0 0 0 10.4417 -1.0375 0.0000 C 0 0 0 0 0 0 0 0 0 9.0125 -0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 10.4292 -0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 8.2917 -0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 9.7167 1.0125 0.0000 N 0 0 3 0 0 0 0 0 0 9.5917 -1.6375 0.0000 O 0 0 0 0 0 0 0 0 0 8.4167 -1.6375 0.0000 O 0 0 0 0 0 0 0 0 0 10.4542 -1.8625 0.0000 O 0 0 0 0 0 0 0 0 0 11.8667 2.2458 0.0000 C 0 0 0 0 0 0 0 0 0 11.1542 1.8333 0.0000 C 0 0 0 0 0 0 0 0 0 11.1500 -0.6167 0.0000 N 0 0 0 0 0 0 0 0 0 10.4375 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 10.4292 0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 9.0125 0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 9.7167 1.8375 0.0000 C 0 0 0 0 0 0 0 0 0 7.5750 -1.0542 0.0000 C 0 0 0 0 0 0 0 0 0 8.2917 0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 11.8667 3.0708 0.0000 C 0 0 0 0 0 0 0 0 0 11.1500 3.4833 0.0000 C 0 0 0 0 0 0 0 0 0 10.4375 3.0708 0.0000 C 0 0 0 0 0 0 0 0 0 6.8625 0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 7.5750 0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 6.8625 -0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 11.8667 -1.0167 0.0000 O 0 0 0 0 0 0 0 0 0 6.1417 0.6000 0.0000 O 0 0 0 0 0 0 0 0 0 12.5792 1.8333 0.0000 C 0 0 0 0 0 0 0 0 0 12.5792 3.4833 0.0000 C 0 0 0 0 0 0 0 0 0 5.4292 0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 13.2917 2.2458 0.0000 C 0 0 0 0 0 0 0 0 0 13.2917 3.0833 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 1 1 0 0 0 5 1 1 0 0 0 6 2 1 0 0 0 7 15 1 0 0 0 8 2 2 0 0 0 9 2 2 0 0 0 10 3 2 0 0 0 11 12 1 0 0 0 12 14 2 0 0 0 13 3 1 0 0 0 14 17 1 0 0 0 15 5 1 0 0 0 16 4 1 0 0 0 17 7 1 0 0 0 18 6 2 0 0 0 19 6 1 0 0 0 20 21 1 0 0 0 21 22 2 0 0 0 22 14 1 0 0 0 23 24 1 0 0 0 24 19 2 0 0 0 25 18 1 0 0 0 26 13 1 0 0 0 27 23 1 0 0 0 28 11 2 0 0 0 29 20 2 0 0 0 30 27 1 0 0 0 31 28 1 0 0 0 32 29 1 0 0 0 16 7 1 0 0 0 23 25 2 0 0 0 20 11 1 0 0 0 31 32 2 0 0 0 M END > 8.69897000433602 > 6.43415218132648 $$$$ 11280715002D 1 1.00000 0.00000 0 24 25 0 0 0 999 V2000 5.7000 -7.3167 0.0000 S 0 0 3 0 0 0 0 0 0 5.1750 -7.0167 0.0000 N 0 0 3 0 0 0 0 0 0 6.2167 -7.6167 0.0000 C 0 0 0 0 0 0 0 0 0 7.2625 -5.2042 0.0000 N 0 3 0 0 0 0 0 0 0 4.6542 -7.3167 0.0000 C 0 0 0 0 0 0 0 0 0 4.1292 -7.0167 0.0000 C 0 0 0 0 0 0 0 0 0 6.2917 -8.2125 0.0000 S 0 0 0 0 0 0 0 0 0 5.3917 -7.8292 0.0000 O 0 0 0 0 0 0 0 0 0 6.0042 -6.8000 0.0000 O 0 0 0 0 0 0 0 0 0 6.7500 -5.5042 0.0000 C 0 0 0 0 0 0 0 0 0 7.7917 -5.5042 0.0000 O 0 5 0 0 0 0 0 0 0 5.1750 -6.4125 0.0000 C 0 0 0 0 0 0 0 0 0 7.2625 -4.6000 0.0000 O 0 0 0 0 0 0 0 0 0 6.7750 -7.3667 0.0000 C 0 0 0 0 0 0 0 0 0 6.8792 -8.3375 0.0000 C 0 0 0 0 0 0 0 0 0 3.6042 -7.3167 0.0000 O 0 0 0 0 0 0 0 0 0 7.1792 -7.8167 0.0000 C 0 0 0 0 0 0 0 0 0 4.1292 -6.4125 0.0000 N 0 0 0 0 0 0 0 0 0 6.7500 -6.1042 0.0000 C 0 0 0 0 0 0 0 0 0 6.2167 -5.2042 0.0000 C 0 0 0 0 0 0 0 0 0 5.7000 -6.1042 0.0000 C 0 0 0 0 0 0 0 0 0 6.2167 -6.4125 0.0000 C 0 0 0 0 0 0 0 0 0 5.7000 -5.5042 0.0000 C 0 0 0 0 0 0 0 0 0 3.6042 -6.1042 0.0000 O 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 10 1 0 0 0 5 2 1 0 0 0 6 5 1 0 0 0 7 3 1 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 20 1 0 0 0 11 4 1 0 0 0 12 2 1 0 0 0 13 4 2 0 0 0 14 3 2 0 0 0 15 7 1 0 0 0 16 6 2 0 0 0 17 14 1 0 0 0 18 6 1 0 0 0 19 22 1 0 0 0 20 23 2 0 0 0 21 12 1 0 0 0 22 21 2 0 0 0 23 21 1 0 0 0 24 18 1 0 0 0 15 17 2 0 0 0 19 10 2 0 0 0 M CHG 2 4 1 11 -1 M END > 8.04575749056067 > 8.04575749056067 $$$$ Mrv0541 04051115152D 21 22 0 0 0 0 999 V2000 2.8008 -1.2279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8008 -0.4029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0863 0.0096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3719 -0.4029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0571 1.2471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6574 0.8346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0571 -0.4029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7716 0.0096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0863 -1.6404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7716 0.8346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3719 -1.2279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6294 0.8346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2005 0.8346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9150 1.2471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3439 1.2471 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6294 0.0096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0584 0.8346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4860 1.2471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6574 0.0096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5153 -1.6404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2297 -2.0529 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20 21 3 0 0 0 0 1 20 1 0 0 0 0 1 9 2 0 0 0 0 2 1 1 0 0 0 0 9 11 1 0 0 0 0 3 2 2 0 0 0 0 4 11 2 0 0 0 0 4 3 1 0 0 0 0 19 4 1 0 0 0 0 7 19 2 0 0 0 0 19 6 1 0 0 0 0 7 8 1 0 0 0 0 6 5 2 0 0 0 0 10 8 2 0 0 0 0 5 10 1 0 0 0 0 10 18 1 0 0 0 0 13 18 1 0 0 0 0 15 17 1 0 0 0 0 14 13 1 0 0 0 0 12 16 2 0 0 0 0 12 15 1 0 0 0 0 12 14 1 0 0 0 0 M END > 7.19382002601611 > 5.48148606012211 $$$$ 11280715012D 1 1.00000 0.00000 0 34 37 0 0 0 999 V2000 3.1500 -4.1292 0.0000 S 0 0 3 0 0 0 0 0 0 2.4292 -3.7250 0.0000 N 0 0 0 0 0 0 0 0 0 1.7167 -4.1292 0.0000 C 0 0 3 0 0 0 0 0 0 0.2875 -6.6000 0.0000 N 0 0 3 0 0 0 0 0 0 0.1917 -7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 1.0042 -3.7250 0.0000 C 0 0 0 0 0 0 0 0 0 1.0000 -6.1917 0.0000 C 0 0 3 0 0 0 0 0 0 1.7167 -4.9625 0.0000 C 0 0 3 0 0 0 0 0 0 3.8667 -3.7250 0.0000 C 0 0 0 0 0 0 0 0 0 1.0000 -5.3667 0.0000 C 0 0 0 0 0 0 0 0 0 2.5625 -4.7167 0.0000 O 0 0 0 0 0 0 0 0 0 3.7292 -4.7167 0.0000 O 0 0 0 0 0 0 0 0 0 -0.6125 -7.5917 0.0000 O 0 0 0 0 0 0 0 0 0 0.8042 -7.9792 0.0000 O 0 0 0 0 0 0 0 0 0 5.2917 -2.8917 0.0000 C 0 0 0 0 0 0 0 0 0 6.0042 -2.4792 0.0000 C 0 0 0 0 0 0 0 0 0 1.0000 -2.9000 0.0000 O 0 0 0 0 0 0 0 0 0 3.8667 -2.9000 0.0000 C 0 0 0 0 0 0 0 0 0 4.5792 -4.1292 0.0000 C 0 0 0 0 0 0 0 0 0 4.5792 -2.4792 0.0000 C 0 0 0 0 0 0 0 0 0 5.2917 -3.7250 0.0000 C 0 0 0 0 0 0 0 0 0 6.7167 -2.8917 0.0000 C 0 0 0 0 0 0 0 0 0 6.0000 -1.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0.2875 -4.1292 0.0000 O 0 0 0 0 0 0 0 0 0 -0.4708 -6.2667 0.0000 C 0 0 0 0 0 0 0 0 0 7.4292 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0208 -6.8792 0.0000 C 0 0 0 0 0 0 0 0 0 7.4292 -2.4792 0.0000 C 0 0 0 0 0 0 0 0 0 6.7042 -1.2417 0.0000 C 0 0 0 0 0 0 0 0 0 1.7125 -6.6042 0.0000 C 0 0 0 0 0 0 0 0 0 2.4292 -5.3667 0.0000 C 0 0 0 0 0 0 0 0 0 8.1417 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 2.4292 -6.1917 0.0000 C 0 0 0 0 0 0 0 0 0 8.8542 -1.6417 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 7 1 0 0 0 5 4 1 0 0 0 6 3 1 0 0 0 7 10 1 0 0 0 8 3 1 0 0 0 9 1 1 0 0 0 10 8 1 0 0 0 11 1 2 0 0 0 12 1 2 0 0 0 13 5 1 0 0 0 14 5 2 0 0 0 15 21 1 0 0 0 16 15 1 0 0 0 17 6 2 0 0 0 18 9 2 0 0 0 19 9 1 0 0 0 20 18 1 0 0 0 21 19 2 0 0 0 22 16 2 0 0 0 23 16 1 0 0 0 24 6 1 0 0 0 25 4 1 0 0 0 26 29 1 0 0 0 27 25 1 0 0 0 28 22 1 0 0 0 29 23 2 0 0 0 30 33 1 0 0 0 31 8 1 0 0 0 32 26 1 0 0 0 33 31 1 0 0 0 34 32 1 0 0 0 20 15 2 0 0 0 7 30 1 0 0 0 28 26 2 0 0 0 27 13 1 0 0 0 M END > 7.95860731484177 > 5.22475374025976 $$$$ 11280715322D 1 1.00000 0.00000 0 29 30 0 1 0 999 V2000 3.7292 -2.0625 0.0000 S 0 0 3 0 0 0 0 0 0 3.7292 -2.6625 0.0000 N 0 0 3 0 0 0 0 0 0 3.2500 -3.0125 0.0000 C 0 0 1 0 0 0 0 0 0 2.6792 -2.8292 0.0000 C 0 0 0 0 0 0 0 0 0 4.2167 -3.0125 0.0000 C 0 0 0 0 0 0 0 0 0 3.4292 -3.5875 0.0000 C 0 0 0 0 0 0 0 0 0 4.2542 -1.7625 0.0000 C 0 0 0 0 0 0 0 0 0 4.0292 -3.5875 0.0000 C 0 0 2 0 0 0 0 0 0 3.7250 -1.4625 0.0000 O 0 0 0 0 0 0 0 0 0 3.1500 -1.9042 0.0000 O 0 0 0 0 0 0 0 0 0 4.3875 -4.0667 0.0000 N 0 0 0 0 0 0 0 0 0 4.9792 -4.0042 0.0000 C 0 0 0 0 0 0 0 0 0 2.5542 -2.2417 0.0000 O 0 0 0 0 0 0 0 0 0 2.2292 -3.2292 0.0000 N 0 0 0 0 0 0 0 0 0 5.2417 -3.4667 0.0000 O 0 0 0 0 0 0 0 0 0 4.2542 -1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 4.7750 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 5.2917 -1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 5.2917 -1.7625 0.0000 C 0 0 0 0 0 0 0 0 0 4.7667 -0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 1.6625 -3.0417 0.0000 O 0 0 0 0 0 0 0 0 0 5.8125 -0.8625 0.0000 O 0 0 0 0 0 0 0 0 0 5.3375 -4.4917 0.0000 C 0 0 0 0 0 0 0 0 0 5.9292 -4.4292 0.0000 O 0 0 0 0 0 0 0 0 0 6.3292 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 6.2875 -4.9167 0.0000 C 0 0 0 0 0 0 0 0 0 6.8542 -0.8542 0.0000 C 0 0 0 0 0 0 0 0 0 7.3667 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 7.8917 -0.8542 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 2 1 0 0 0 3 6 1 6 0 0 7 1 1 0 0 0 8 5 1 0 0 0 9 1 2 0 0 0 10 1 2 0 0 0 8 11 1 1 0 0 12 11 1 0 0 0 13 4 2 0 0 0 14 4 1 0 0 0 15 12 2 0 0 0 16 7 1 0 0 0 17 7 2 0 0 0 18 19 2 0 0 0 19 17 1 0 0 0 20 16 2 0 0 0 21 14 1 0 0 0 22 18 1 0 0 0 23 12 1 0 0 0 24 23 1 0 0 0 25 22 1 0 0 0 26 24 1 0 0 0 27 25 1 0 0 0 28 27 1 0 0 0 29 28 1 0 0 0 20 18 1 0 0 0 8 6 1 0 0 0 M END > 9.15490195998574 > 5.92081875395237 $$$$ 11280715072D 1 1.00000 0.00000 0 40 42 0 1 0 999 V2000 5.3792 -2.5917 0.0000 N 0 0 0 0 0 0 0 0 0 4.6667 -3.0125 0.0000 C 0 0 0 0 0 0 0 0 0 2.5250 -2.6125 0.0000 P 0 0 3 0 0 0 0 0 0 3.9500 -2.6042 0.0000 C 0 0 3 0 0 0 0 0 0 6.0917 -3.0042 0.0000 C 0 0 2 0 0 0 0 0 0 6.8042 -2.5875 0.0000 C 0 0 0 0 0 0 0 0 0 3.2375 -3.0167 0.0000 C 0 0 0 0 0 0 0 0 0 6.1000 -3.8292 0.0000 C 0 0 3 0 0 0 0 0 0 2.5167 -1.7875 0.0000 O 0 0 0 0 0 0 0 0 0 4.6667 -3.8375 0.0000 O 0 0 0 0 0 0 0 0 0 3.9417 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 6.8042 -1.7625 0.0000 O 0 0 0 0 0 0 0 0 0 1.8125 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 7.5250 -3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 2.5167 -3.4375 0.0000 O 0 0 0 0 0 0 0 0 0 1.0917 -2.6167 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3333 -1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0500 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 3.9417 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 4.6542 -1.3625 0.0000 C 0 0 0 0 0 0 0 0 0 3.9292 0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 4.6542 -0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 3.2167 1.1000 0.0000 F 0 0 0 0 0 0 0 0 0 0.3792 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3333 -2.6250 0.0000 C 0 0 0 0 0 0 0 0 0 1.0875 -1.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0.3667 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7625 -1.8042 0.0000 C 0 0 0 0 0 0 0 0 0 5.3625 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 6.9250 -3.8292 0.0000 C 0 0 0 0 0 0 0 0 0 6.1125 -4.6542 0.0000 C 0 0 0 0 0 0 0 0 0 5.2750 -3.8250 0.0000 C 0 0 0 0 0 0 0 0 0 4.6417 1.1083 0.0000 C 0 0 0 0 0 0 0 0 0 5.3667 -0.1250 0.0000 C 0 0 0 0 0 0 0 0 0 8.2375 -2.5792 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7625 -2.6375 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4833 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4833 -3.0500 0.0000 C 0 0 0 0 0 0 0 0 0 -3.1958 -1.8125 0.0000 C 0 0 0 0 0 0 0 0 0 -3.1958 -2.6375 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 7 1 0 0 0 4 2 1 0 0 0 5 1 1 0 0 0 6 5 1 0 0 0 7 4 1 0 0 0 5 8 1 6 0 0 9 3 2 0 0 0 10 2 2 0 0 0 4 11 1 0 0 0 12 6 2 0 0 0 13 3 1 0 0 0 14 6 1 0 0 0 15 3 1 0 0 0 16 13 1 0 0 0 17 27 1 0 0 0 18 17 1 0 0 0 19 22 1 0 0 0 20 11 1 0 0 0 21 19 2 0 0 0 22 20 1 0 0 0 23 21 1 0 0 0 24 16 2 0 0 0 25 24 1 0 0 0 26 16 1 0 0 0 27 26 2 0 0 0 28 18 1 0 0 0 29 34 1 0 0 0 30 8 1 0 0 0 31 8 1 0 0 0 32 8 1 0 0 0 33 29 2 0 0 0 34 22 2 0 0 0 35 14 1 0 0 0 36 28 1 0 0 0 37 28 2 0 0 0 38 36 2 0 0 0 39 37 1 0 0 0 40 39 2 0 0 0 33 21 1 0 0 0 25 17 2 0 0 0 40 38 1 0 0 0 M END > 7.72124639904717 > 6.06550154875643 $$$$ 11280715312D 1 1.00000 0.00000 0 28 29 0 1 0 999 V2000 3.7292 -2.6625 0.0000 N 0 0 3 0 0 0 0 0 0 3.7292 -2.0625 0.0000 S 0 0 3 0 0 0 0 0 0 3.2500 -3.0125 0.0000 C 0 0 2 0 0 0 0 0 0 4.9792 -4.0042 0.0000 S 0 0 3 0 0 0 0 0 0 4.0292 -3.5875 0.0000 C 0 0 2 0 0 0 0 0 0 4.2167 -3.0125 0.0000 C 0 0 0 0 0 0 0 0 0 3.4292 -3.5875 0.0000 C 0 0 0 0 0 0 0 0 0 4.3875 -4.0667 0.0000 N 0 0 3 0 0 0 0 0 0 2.6792 -2.8292 0.0000 C 0 0 0 0 0 0 0 0 0 4.2542 -1.7625 0.0000 C 0 0 0 0 0 0 0 0 0 3.1500 -1.9042 0.0000 O 0 0 0 0 0 0 0 0 0 3.7250 -1.4625 0.0000 O 0 0 0 0 0 0 0 0 0 4.9792 -3.4042 0.0000 O 0 0 0 0 0 0 0 0 0 5.5625 -3.8500 0.0000 O 0 0 0 0 0 0 0 0 0 2.5542 -2.2417 0.0000 O 0 0 0 0 0 0 0 0 0 2.2292 -3.2292 0.0000 N 0 0 0 0 0 0 0 0 0 4.7750 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 4.2542 -1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 5.3375 -4.4917 0.0000 C 0 0 0 0 0 0 0 0 0 5.2917 -1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 5.2917 -1.7625 0.0000 C 0 0 0 0 0 0 0 0 0 4.7667 -0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 1.6625 -3.0417 0.0000 O 0 0 0 0 0 0 0 0 0 4.1417 -4.6167 0.0000 C 0 0 0 0 0 0 0 0 0 5.8125 -0.8625 0.0000 O 0 0 0 0 0 0 0 0 0 6.3292 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 4.4917 -5.1042 0.0000 C 0 0 0 0 0 0 0 0 0 4.2542 -5.6542 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 8 1 0 0 0 5 6 1 0 0 0 6 1 1 0 0 0 3 7 1 6 0 0 5 8 1 1 0 0 9 3 1 0 0 0 10 2 1 0 0 0 11 2 2 0 0 0 12 2 2 0 0 0 13 4 2 0 0 0 14 4 2 0 0 0 15 9 2 0 0 0 16 9 1 0 0 0 17 10 2 0 0 0 18 10 1 0 0 0 19 4 1 0 0 0 20 22 1 0 0 0 21 17 1 0 0 0 22 18 2 0 0 0 23 16 1 0 0 0 24 8 1 0 0 0 25 20 1 0 0 0 26 25 1 0 0 0 27 24 1 0 0 0 28 27 1 0 0 0 5 7 1 0 0 0 20 21 2 0 0 0 M END > 9.09691001300806 > 7.48148606012211 $$$$ 11280715102D 1 1.00000 0.00000 0 25 26 0 0 0 999 V2000 4.0792 -4.8542 0.0000 S 0 0 3 0 0 0 0 0 0 3.4875 -4.2667 0.0000 N 0 0 3 0 0 0 0 0 0 2.7750 -4.6792 0.0000 C 0 0 3 0 0 0 0 0 0 2.0625 -4.2542 0.0000 C 0 0 0 0 0 0 0 0 0 4.9042 -4.8250 0.0000 C 0 0 0 0 0 0 0 0 0 3.6625 -5.5667 0.0000 O 0 0 0 0 0 0 0 0 0 4.6625 -5.4417 0.0000 O 0 0 0 0 0 0 0 0 0 3.4875 -3.4417 0.0000 C 0 0 0 0 0 0 0 0 0 2.0667 -3.4375 0.0000 O 0 0 0 0 0 0 0 0 0 1.3417 -4.6667 0.0000 N 0 0 0 0 0 0 0 0 0 5.3375 -5.5167 0.0000 C 0 0 0 0 0 0 0 0 0 5.2792 -4.1000 0.0000 C 0 0 0 0 0 0 0 0 0 6.5500 -4.7542 0.0000 C 0 0 0 0 0 0 0 0 0 4.1917 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 6.1625 -5.4875 0.0000 C 0 0 0 0 0 0 0 0 0 6.1042 -4.0667 0.0000 C 0 0 0 0 0 0 0 0 0 2.7667 -5.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0.6292 -4.2542 0.0000 O 0 0 0 0 0 0 0 0 0 7.3750 -4.7250 0.0000 O 0 0 0 0 0 0 0 0 0 4.1917 -2.2042 0.0000 C 0 0 0 0 0 0 0 0 0 4.9125 -3.4375 0.0000 C 0 0 0 0 0 0 0 0 0 7.8167 -5.4250 0.0000 C 0 0 0 0 0 0 0 0 0 5.6250 -3.0250 0.0000 C 0 0 0 0 0 0 0 0 0 4.9000 -1.7875 0.0000 C 0 0 0 0 0 0 0 0 0 5.6167 -2.2000 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 1 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 2 1 0 0 0 9 4 2 0 0 0 10 4 1 0 0 0 11 5 2 0 0 0 12 5 1 0 0 0 13 16 1 0 0 0 14 8 1 0 0 0 15 11 1 0 0 0 16 12 2 0 0 0 17 3 1 0 0 0 18 10 1 0 0 0 19 13 1 0 0 0 20 14 1 0 0 0 21 14 2 0 0 0 22 19 1 0 0 0 23 21 1 0 0 0 24 20 2 0 0 0 25 23 2 0 0 0 13 15 2 0 0 0 25 24 1 0 0 0 M END > 7.69897000433602 > 7.69897000433602 $$$$ 11280715232D 1 1.00000 0.00000 0 23 22 0 0 0 999 V2000 6.1667 -3.0542 0.0000 C 0 0 3 0 0 0 0 0 0 5.4417 -2.6667 0.0000 S 0 0 3 0 0 0 0 0 0 6.1875 -3.8750 0.0000 C 0 0 3 0 0 0 0 0 0 6.9000 -4.2542 0.0000 C 0 0 3 0 0 0 0 0 0 6.9167 -5.0792 0.0000 C 0 0 3 0 0 0 0 0 0 4.7500 -2.2625 0.0000 N 0 0 0 0 0 0 0 0 0 3.3375 -2.2625 0.0000 C 0 0 0 0 0 0 0 0 0 4.0375 -2.6667 0.0000 C 0 0 3 0 0 0 0 0 0 6.1542 -1.9292 0.0000 O 0 0 0 0 0 0 0 0 0 4.7125 -3.3792 0.0000 O 0 0 0 0 0 0 0 0 0 6.8625 -2.6375 0.0000 F 0 0 0 0 0 0 0 0 0 5.6000 -3.6417 0.0000 F 0 0 0 0 0 0 0 0 0 5.4917 -4.2875 0.0000 F 0 0 0 0 0 0 0 0 0 6.7417 -3.2792 0.0000 F 0 0 0 0 0 0 0 0 0 7.5917 -3.8417 0.0000 F 0 0 0 0 0 0 0 0 0 6.3375 -4.8417 0.0000 F 0 0 0 0 0 0 0 0 0 2.6292 -2.6667 0.0000 O 0 0 0 0 0 0 0 0 0 3.3375 -1.4500 0.0000 N 0 0 0 0 0 0 0 0 0 7.6292 -5.4667 0.0000 F 0 0 0 0 0 0 0 0 0 6.2167 -5.5000 0.0000 F 0 0 0 0 0 0 0 0 0 7.4792 -4.4917 0.0000 F 0 0 0 0 0 0 0 0 0 2.6292 -1.0417 0.0000 O 0 0 0 0 0 0 0 0 0 4.0375 -3.4792 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 6 2 1 0 0 0 7 8 1 0 0 0 8 6 1 0 0 0 9 2 2 0 0 0 10 2 2 0 0 0 11 1 1 0 0 0 12 1 1 0 0 0 13 3 1 0 0 0 14 3 1 0 0 0 15 4 1 0 0 0 16 4 1 0 0 0 17 7 2 0 0 0 18 7 1 0 0 0 19 5 1 0 0 0 20 5 1 0 0 0 21 5 1 0 0 0 22 18 1 0 0 0 23 8 1 0 0 0 M END > 7.10237290870956 > 7.10237290870956 $$$$ 11280715142D 1 1.00000 0.00000 0 29 31 0 0 0 999 V2000 3.5417 -1.1667 0.0000 N 0 0 3 0 0 0 0 0 0 3.9625 -0.4667 0.0000 S 0 0 3 0 0 0 0 0 0 2.7125 -1.1625 0.0000 C 0 0 3 0 0 0 0 0 0 3.7917 -1.9625 0.0000 C 0 0 0 0 0 0 0 0 0 2.4417 -1.9500 0.0000 C 0 0 0 0 0 0 0 0 0 2.3125 -0.4417 0.0000 C 0 0 0 0 0 0 0 0 0 3.1167 -2.4417 0.0000 C 0 0 3 0 0 0 0 0 0 3.1125 -3.2667 0.0000 N 0 0 3 0 0 0 0 0 0 4.4000 0.2333 0.0000 C 0 0 0 0 0 0 0 0 0 3.2542 -0.0292 0.0000 O 0 0 0 0 0 0 0 0 0 4.6542 -0.9042 0.0000 O 0 0 0 0 0 0 0 0 0 2.7375 0.2708 0.0000 O 0 0 0 0 0 0 0 0 0 1.4875 -0.4292 0.0000 N 0 0 0 0 0 0 0 0 0 4.0042 0.9625 0.0000 C 0 0 0 0 0 0 0 0 0 5.2250 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 3.0917 -4.9125 0.0000 O 0 0 0 0 0 0 0 0 0 5.2667 1.6458 0.0000 C 0 0 0 0 0 0 0 0 0 4.4417 1.6625 0.0000 C 0 0 0 0 0 0 0 0 0 5.6542 0.9083 0.0000 C 0 0 0 0 0 0 0 0 0 1.0875 0.2958 0.0000 O 0 0 0 0 0 0 0 0 0 2.3917 -3.6667 0.0000 C 0 0 0 0 0 0 0 0 0 3.8250 -3.6792 0.0000 C 0 0 0 0 0 0 0 0 0 5.7000 2.3458 0.0000 O 0 0 0 0 0 0 0 0 0 3.8167 -4.5042 0.0000 C 0 0 0 0 0 0 0 0 0 2.3792 -4.4917 0.0000 C 0 0 0 0 0 0 0 0 0 6.5250 2.3208 0.0000 C 0 0 0 0 0 0 0 0 0 6.9542 3.0208 0.0000 C 0 0 0 0 0 0 0 0 0 7.7792 2.9958 0.0000 C 0 0 0 0 0 0 0 0 0 8.2167 3.6958 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 1 1 0 0 0 5 3 1 0 0 0 6 3 1 0 0 0 7 4 1 0 0 0 8 7 1 0 0 0 9 2 1 0 0 0 10 2 2 0 0 0 11 2 2 0 0 0 12 6 2 0 0 0 13 6 1 0 0 0 14 9 2 0 0 0 15 9 1 0 0 0 16 24 1 0 0 0 17 19 1 0 0 0 18 14 1 0 0 0 19 15 2 0 0 0 20 13 1 0 0 0 21 8 1 0 0 0 22 8 1 0 0 0 23 17 1 0 0 0 24 22 1 0 0 0 25 21 1 0 0 0 26 23 1 0 0 0 27 26 1 0 0 0 28 27 1 0 0 0 29 28 1 0 0 0 5 7 1 0 0 0 18 17 2 0 0 0 25 16 1 0 0 0 M END > > 6.03621217265444 $$$$ 11280715152D 1 1.00000 0.00000 0 34 37 0 0 0 999 V2000 6.6750 -5.0042 0.0000 S 0 0 3 0 0 0 0 0 0 6.3792 -5.7875 0.0000 N 0 0 3 0 0 0 0 0 0 5.3417 -7.3167 0.0000 N 0 0 3 0 0 0 0 0 0 5.5667 -5.8500 0.0000 C 0 0 3 0 0 0 0 0 0 4.7292 -7.8667 0.0000 C 0 0 0 0 0 0 0 0 0 5.1042 -6.5292 0.0000 C 0 0 0 0 0 0 0 0 0 6.9500 -6.3875 0.0000 C 0 0 0 0 0 0 0 0 0 6.1167 -7.6167 0.0000 C 0 0 0 0 0 0 0 0 0 5.1542 -5.1250 0.0000 C 0 0 0 0 0 0 0 0 0 6.8292 -7.2042 0.0000 C 0 0 0 0 0 0 0 0 0 6.9625 -4.2250 0.0000 C 0 0 0 0 0 0 0 0 0 7.4792 -4.8667 0.0000 O 0 0 0 0 0 0 0 0 0 6.1667 -4.2417 0.0000 O 0 0 0 0 0 0 0 0 0 3.9500 -7.6167 0.0000 O 0 0 0 0 0 0 0 0 0 4.9042 -8.6750 0.0000 C 0 0 0 0 0 0 0 0 0 5.5792 -4.4042 0.0000 O 0 0 0 0 0 0 0 0 0 4.3292 -5.1167 0.0000 N 0 0 0 0 0 0 0 0 0 6.4375 -3.5917 0.0000 C 0 0 0 0 0 0 0 0 0 7.7750 -4.0792 0.0000 C 0 0 0 0 0 0 0 0 0 7.5292 -2.6792 0.0000 C 0 0 0 0 0 0 0 0 0 8.0542 -3.3125 0.0000 C 0 0 0 0 0 0 0 0 0 6.7167 -2.8250 0.0000 C 0 0 0 0 0 0 0 0 0 3.9167 -4.4042 0.0000 O 0 0 0 0 0 0 0 0 0 7.5417 -7.6167 0.0000 C 0 0 0 0 0 0 0 0 0 6.1167 -8.4500 0.0000 C 0 0 0 0 0 0 0 0 0 7.8125 -1.8917 0.0000 O 0 0 0 0 0 0 0 0 0 4.3000 -9.2292 0.0000 C 0 0 0 0 0 0 0 0 0 5.6917 -8.9292 0.0000 C 0 0 0 0 0 0 0 0 0 7.2792 -1.2625 0.0000 C 0 0 0 0 0 0 0 0 0 7.5417 -8.4500 0.0000 C 0 0 0 0 0 0 0 0 0 6.8292 -8.8625 0.0000 C 0 0 0 0 0 0 0 0 0 5.8667 -9.7292 0.0000 C 0 0 0 0 0 0 0 0 0 4.4750 -10.0292 0.0000 C 0 0 0 0 0 0 0 0 0 5.2542 -10.2875 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 6 1 0 0 0 4 2 1 0 0 0 5 3 1 0 0 0 6 4 1 0 0 0 7 2 1 0 0 0 8 10 1 0 0 0 9 4 1 0 0 0 10 7 1 0 0 0 11 1 1 0 0 0 12 1 2 0 0 0 13 1 2 0 0 0 14 5 2 0 0 0 15 5 1 0 0 0 16 9 2 0 0 0 17 9 1 0 0 0 18 11 1 0 0 0 19 11 2 0 0 0 20 21 2 0 0 0 21 19 1 0 0 0 22 18 2 0 0 0 23 17 1 0 0 0 24 10 2 0 0 0 25 8 2 0 0 0 26 20 1 0 0 0 27 15 2 0 0 0 28 15 1 0 0 0 29 26 1 0 0 0 30 24 1 0 0 0 31 30 2 0 0 0 32 28 2 0 0 0 33 27 1 0 0 0 34 32 1 0 0 0 20 22 1 0 0 0 3 8 1 0 0 0 31 25 1 0 0 0 34 33 2 0 0 0 M END > 9.39794000867204 > 7.79588001734407 $$$$ 11280715152D 1 1.00000 0.00000 0 29 30 0 1 0 999 V2000 4.0792 -5.2625 0.0000 S 0 0 3 0 0 0 0 0 0 4.4542 -3.0542 0.0000 C 0 0 2 0 0 0 0 0 0 5.1667 -2.6417 0.0000 C 0 0 2 0 0 0 0 0 0 5.8792 -3.0542 0.0000 C 0 0 0 0 0 0 0 0 0 3.8667 -4.4667 0.0000 N 0 0 3 0 0 0 0 0 0 4.4542 -3.8792 0.0000 C 0 0 0 0 0 0 0 0 0 6.6000 -2.6417 0.0000 N 0 0 3 0 0 0 0 0 0 3.7417 -2.6417 0.0000 C 0 0 0 0 0 0 0 0 0 3.2792 -5.4750 0.0000 O 0 0 0 0 0 0 0 0 0 4.8750 -5.0417 0.0000 O 0 0 0 0 0 0 0 0 0 5.1667 -1.8167 0.0000 C 0 0 0 0 0 0 0 0 0 5.8792 -3.8792 0.0000 O 0 0 0 0 0 0 0 0 0 3.7417 -1.8167 0.0000 O 0 0 0 0 0 0 0 0 0 3.0292 -3.0542 0.0000 N 0 0 0 0 0 0 0 0 0 4.2917 -6.0542 0.0000 C 0 0 0 0 0 0 0 0 0 2.3125 -2.6417 0.0000 O 0 0 0 0 0 0 0 0 0 7.3042 -3.0542 0.0000 C 0 0 0 0 0 0 0 0 0 6.5917 -1.8167 0.0000 C 0 0 0 0 0 0 0 0 0 5.7542 -1.2292 0.0000 C 0 0 3 0 0 0 0 0 0 3.0417 -4.4625 0.0000 C 0 0 0 0 0 0 0 0 0 6.5667 -1.3542 0.0000 C 0 0 0 0 0 0 0 0 0 5.6167 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 2.6292 -5.1667 0.0000 C 0 0 0 0 0 0 0 0 0 8.0167 -2.6500 0.0000 C 0 0 0 0 0 0 0 0 0 7.3125 -1.4042 0.0000 C 0 0 0 0 0 0 0 0 0 1.8042 -5.1667 0.0000 C 0 0 0 0 0 0 0 0 0 6.3542 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 6.9417 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 8.0250 -1.8250 0.0000 C 0 0 0 0 0 0 0 0 0 2 6 1 6 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 1 1 0 0 0 6 5 1 0 0 0 7 4 1 0 0 0 8 2 1 0 0 0 9 1 2 0 0 0 10 1 2 0 0 0 3 11 1 1 0 0 12 4 2 0 0 0 13 8 2 0 0 0 14 8 1 0 0 0 15 1 1 0 0 0 16 14 1 0 0 0 17 7 1 0 0 0 18 7 1 0 0 0 19 11 1 0 0 0 20 5 1 0 0 0 21 19 1 0 0 0 22 19 1 0 0 0 23 20 1 0 0 0 24 17 1 0 0 0 25 18 1 0 0 0 26 23 1 0 0 0 27 22 1 0 0 0 28 21 1 0 0 0 29 25 1 0 0 0 28 27 1 0 0 0 24 29 1 0 0 0 M END > 6.69897000433602 > 7.52287874528034 $$$$ 11280715142D 1 1.00000 0.00000 0 21 21 0 0 0 999 V2000 2.4292 -1.8167 0.0000 S 0 0 3 0 0 0 0 0 0 1.7125 -2.2417 0.0000 N 0 0 3 0 0 0 0 0 0 1.7250 -3.0750 0.0000 C 0 0 0 0 0 0 0 0 0 1.0167 -3.4917 0.0000 C 0 0 0 0 0 0 0 0 0 3.1542 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 2.8542 -2.5417 0.0000 O 0 0 0 0 0 0 0 0 0 2.0042 -1.1000 0.0000 O 0 0 0 0 0 0 0 0 0 6.0125 1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 6.7292 1.5083 0.0000 C 0 0 0 0 0 0 0 0 0 1.0250 -4.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0.3000 -3.0792 0.0000 N 0 0 0 0 0 0 0 0 0 3.1542 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 3.8667 -1.8042 0.0000 C 0 0 0 0 0 0 0 0 0 4.5792 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 5.3042 -0.1417 0.0000 S 0 0 0 0 0 0 0 0 0 3.8667 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 4.5792 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 5.3000 0.6833 0.0000 C 0 0 0 0 0 0 0 0 0 -0.4208 -3.4917 0.0000 O 0 0 0 0 0 0 0 0 0 0.9875 -1.8375 0.0000 C 0 0 0 0 0 0 0 0 0 7.4417 1.9250 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 1 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 18 1 0 0 0 9 8 3 0 0 0 10 4 2 0 0 0 11 4 1 0 0 0 12 5 2 0 0 0 13 5 1 0 0 0 14 17 1 0 0 0 15 14 1 0 0 0 16 12 1 0 0 0 17 13 2 0 0 0 18 15 1 0 0 0 19 11 1 0 0 0 20 2 1 0 0 0 21 9 1 0 0 0 16 14 2 0 0 0 M END > 7.07572071393812 > 5.30557030904292 $$$$ 11280715252D 1 1.00000 0.00000 0 31 33 0 0 0 999 V2000 4.8750 -1.2875 0.0000 S 0 0 3 0 0 0 0 0 0 4.8750 -1.8875 0.0000 N 0 0 3 0 0 0 0 0 0 4.3625 -2.1875 0.0000 C 0 0 3 0 0 0 0 0 0 4.8750 -3.0875 0.0000 N 0 0 3 0 0 0 0 0 0 4.8750 -3.6875 0.0000 C 0 0 0 0 0 0 0 0 0 3.8417 -1.8875 0.0000 C 0 0 0 0 0 0 0 0 0 4.3625 -2.7875 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -2.1875 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 4.3250 -0.9000 0.0000 O 0 0 0 0 0 0 0 0 0 5.5875 -1.7000 0.0000 O 0 0 0 0 0 0 0 0 0 5.3917 -3.9875 0.0000 N 0 0 0 0 0 0 0 0 0 5.3917 -2.7875 0.0000 C 0 0 0 0 0 0 0 0 0 4.3542 -3.9792 0.0000 O 0 0 0 0 0 0 0 0 0 3.8375 -1.2875 0.0000 O 0 0 0 0 0 0 0 0 0 3.3167 -2.1875 0.0000 N 0 0 0 0 0 0 0 0 0 5.9125 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -0.3875 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -4.5875 0.0000 C 0 0 0 0 0 0 0 0 0 6.4292 -0.3792 0.0000 C 0 0 0 0 0 0 0 0 0 6.4292 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 5.9042 -0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 2.8000 -1.8875 0.0000 O 0 0 0 0 0 0 0 0 0 4.8750 -4.8875 0.0000 C 0 0 0 0 0 0 0 0 0 6.9500 -0.0792 0.0000 O 0 0 0 0 0 0 0 0 0 4.8750 -5.4792 0.0000 C 0 0 0 0 0 0 0 0 0 4.3542 -4.5792 0.0000 C 0 0 0 0 0 0 0 0 0 7.4667 -0.3792 0.0000 C 0 0 0 0 0 0 0 0 0 4.3542 -5.7792 0.0000 C 0 0 0 0 0 0 0 0 0 3.8292 -4.8792 0.0000 C 0 0 0 0 0 0 0 0 0 3.8292 -5.4792 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 13 1 0 0 0 5 4 1 0 0 0 6 3 1 0 0 0 7 3 1 0 0 0 8 2 1 0 0 0 9 1 1 0 0 0 10 1 2 0 0 0 11 1 2 0 0 0 12 5 1 0 0 0 13 8 1 0 0 0 14 5 2 0 0 0 15 6 2 0 0 0 16 6 1 0 0 0 17 9 2 0 0 0 18 9 1 0 0 0 19 12 1 0 0 0 20 22 1 0 0 0 21 17 1 0 0 0 22 18 2 0 0 0 23 16 1 0 0 0 24 19 1 0 0 0 25 20 1 0 0 0 26 24 1 0 0 0 27 24 2 0 0 0 28 25 1 0 0 0 29 26 2 0 0 0 30 27 1 0 0 0 31 30 2 0 0 0 20 21 2 0 0 0 4 7 1 0 0 0 31 29 1 0 0 0 M END > 8.61978875828839 > 7.00436480540245 $$$$ 11280715242D 1 1.00000 0.00000 0 31 33 0 0 0 999 V2000 4.8750 -3.3917 0.0000 S 0 0 3 0 0 0 0 0 0 4.8667 -3.9917 0.0000 C 0 0 0 0 0 0 0 0 0 4.8750 -0.9917 0.0000 S 0 0 3 0 0 0 0 0 0 4.8750 -1.5917 0.0000 N 0 0 3 0 0 0 0 0 0 4.3792 -4.3375 0.0000 S 0 0 0 0 0 0 0 0 0 4.8750 -2.7917 0.0000 N 0 0 3 0 0 0 0 0 0 4.3625 -1.8917 0.0000 C 0 0 3 0 0 0 0 0 0 5.3500 -4.3500 0.0000 C 0 0 0 0 0 0 0 0 0 4.5625 -4.9042 0.0000 C 0 0 0 0 0 0 0 0 0 5.1542 -4.9125 0.0000 N 0 0 0 0 0 0 0 0 0 4.3625 -2.4917 0.0000 C 0 0 0 0 0 0 0 0 0 3.8417 -1.5917 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -1.8917 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -2.4917 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -0.6917 0.0000 C 0 0 0 0 0 0 0 0 0 4.2375 -3.3917 0.0000 O 0 0 0 0 0 0 0 0 0 5.7042 -3.4250 0.0000 O 0 0 0 0 0 0 0 0 0 4.2500 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 5.5875 -1.4042 0.0000 O 0 0 0 0 0 0 0 0 0 3.8375 -0.9917 0.0000 O 0 0 0 0 0 0 0 0 0 3.3167 -1.8917 0.0000 N 0 0 0 0 0 0 0 0 0 4.2042 -5.3875 0.0000 N 0 0 0 0 0 0 0 0 0 5.9125 -0.9917 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 6.4292 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 5.9042 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 6.4292 -0.6917 0.0000 C 0 0 0 0 0 0 0 0 0 5.9167 -4.1667 0.0000 C 0 0 0 0 0 0 0 0 0 2.8000 -1.5917 0.0000 O 0 0 0 0 0 0 0 0 0 6.9500 0.2083 0.0000 O 0 0 0 0 0 0 0 0 0 7.4667 -0.0875 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 4 1 0 0 0 4 13 1 0 0 0 5 2 1 0 0 0 6 1 1 0 0 0 7 11 1 0 0 0 8 2 2 0 0 0 9 5 1 0 0 0 10 8 1 0 0 0 11 6 1 0 0 0 12 7 1 0 0 0 13 14 1 0 0 0 14 6 1 0 0 0 15 3 1 0 0 0 16 1 2 0 0 0 17 1 2 0 0 0 18 3 2 0 0 0 19 3 2 0 0 0 20 12 2 0 0 0 21 12 1 0 0 0 22 9 1 0 0 0 23 15 2 0 0 0 24 15 1 0 0 0 25 26 1 0 0 0 26 24 2 0 0 0 27 23 1 0 0 0 28 8 1 0 0 0 29 21 1 0 0 0 30 25 1 0 0 0 31 30 1 0 0 0 4 7 1 0 0 0 10 9 2 0 0 0 25 27 2 0 0 0 M END > 8.69897000433602 > 7.50863830616573 $$$$ 11280714482D 1 1.00000 0.00000 0 25 27 0 1 0 999 V2000 3.0917 1.4708 0.0000 C 0 0 0 0 0 0 0 0 0 3.5042 0.7500 0.0000 N 0 0 3 0 0 0 0 0 0 2.2875 1.3000 0.0000 N 0 0 0 0 0 0 0 0 0 2.1917 0.4750 0.0000 C 0 0 1 0 0 0 0 0 0 1.4875 0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 2.9500 0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 4.3250 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 3.4250 2.2250 0.0000 O 0 0 0 0 0 0 0 0 0 1.4875 -0.7625 0.0000 O 0 0 0 0 0 0 0 0 0 0.7750 0.4750 0.0000 N 0 0 0 0 0 0 0 0 0 5.6667 -2.3417 0.0000 O 0 0 0 0 0 0 0 0 0 4.6625 -0.0875 0.0000 C 0 0 0 0 0 0 0 0 0 5.3292 -1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 5.1875 -3.0125 0.0000 C 0 0 0 0 0 0 0 0 0 4.2167 -4.3417 0.0000 C 0 0 0 0 0 0 0 0 0 3.7375 -5.0125 0.0000 F 0 0 0 0 0 0 0 0 0 0.0625 0.0625 0.0000 O 0 0 0 0 0 0 0 0 0 4.1750 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 5.4792 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 4.3667 -2.9250 0.0000 C 0 0 0 0 0 0 0 0 0 5.8167 -0.9167 0.0000 C 0 0 0 0 0 0 0 0 0 5.5250 -3.7625 0.0000 C 0 0 0 0 0 0 0 0 0 4.5125 -1.5042 0.0000 C 0 0 0 0 0 0 0 0 0 3.8875 -3.5875 0.0000 C 0 0 0 0 0 0 0 0 0 5.0417 -4.4250 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 3 1 0 0 0 4 5 1 6 0 0 6 2 1 0 0 0 7 2 1 0 0 0 8 1 2 0 0 0 9 5 2 0 0 0 10 5 1 0 0 0 11 13 1 0 0 0 12 7 1 0 0 0 13 21 1 0 0 0 14 11 1 0 0 0 15 25 1 0 0 0 16 15 1 0 0 0 17 10 1 0 0 0 18 12 2 0 0 0 19 12 1 0 0 0 20 14 2 0 0 0 21 19 2 0 0 0 22 14 1 0 0 0 23 18 1 0 0 0 24 20 1 0 0 0 25 22 2 0 0 0 4 6 1 0 0 0 23 13 2 0 0 0 24 15 2 0 0 0 M END > 8.52287874528034 > 5.26360349772336 $$$$ 11280715202D 1 1.00000 0.00000 0 30 33 0 1 0 999 V2000 -2.5333 2.0333 0.0000 C 0 0 2 0 0 0 0 0 0 -1.0875 2.0208 0.0000 S 0 0 3 0 0 0 0 0 0 -1.8125 2.4458 0.0000 N 0 0 0 0 0 0 0 0 0 -3.2500 2.4458 0.0000 C 0 0 0 0 0 0 0 0 0 -3.2458 1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 -1.8208 1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3625 1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 -2.5333 0.3833 0.0000 O 0 0 0 0 0 0 0 0 0 -0.6583 2.7458 0.0000 O 0 0 0 0 0 0 0 0 0 -1.3708 1.2958 0.0000 O 0 0 0 0 0 0 0 0 0 -3.2458 0.7875 0.0000 C 0 0 3 0 0 0 0 0 0 -1.8208 0.7875 0.0000 C 0 0 3 0 0 0 0 0 0 -3.2500 3.2833 0.0000 O 0 0 0 0 0 0 0 0 0 -3.9708 2.0333 0.0000 N 0 0 0 0 0 0 0 0 0 1.7917 0.3375 0.0000 O 0 0 0 0 0 0 0 0 0 -0.3625 0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0.3542 2.0083 0.0000 C 0 0 0 0 0 0 0 0 0 1.0750 0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 1.7917 -0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 1.7917 -2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 1.0750 1.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0.3542 0.3375 0.0000 C 0 0 0 0 0 0 0 0 0 -3.2458 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 -1.8208 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 1.7917 -2.9792 0.0000 F 0 0 0 0 0 0 0 0 0 -3.9708 1.1958 0.0000 O 0 0 0 0 0 0 0 0 0 2.5042 -0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 1.0667 -0.9042 0.0000 C 0 0 0 0 0 0 0 0 0 1.0667 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 2.5167 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 1 3 1 1 0 0 4 1 1 0 0 0 5 1 1 0 0 0 6 1 1 0 0 0 7 2 1 0 0 0 8 12 1 0 0 0 9 2 2 0 0 0 10 2 2 0 0 0 11 5 1 0 0 0 12 6 1 0 0 0 13 4 2 0 0 0 14 4 1 0 0 0 15 18 1 0 0 0 16 7 2 0 0 0 17 7 1 0 0 0 18 21 1 0 0 0 19 15 1 0 0 0 20 29 2 0 0 0 21 17 2 0 0 0 22 16 1 0 0 0 23 11 1 0 0 0 24 12 1 0 0 0 25 20 1 0 0 0 26 14 1 0 0 0 27 19 1 0 0 0 28 19 2 0 0 0 29 28 1 0 0 0 30 27 2 0 0 0 8 11 1 0 0 0 24 23 1 0 0 0 18 22 2 0 0 0 20 30 1 0 0 0 M END > 9.30102999566398 > 6.82390874094432 $$$$ 11280715442D 1 1.00000 0.00000 0 29 31 0 1 0 999 V2000 -0.8625 0.8458 0.0000 S 0 0 3 0 0 0 0 0 0 -0.8583 1.6625 0.0000 C 0 0 1 0 0 0 0 0 0 -0.1458 2.0708 0.0000 C 0 0 2 0 0 0 0 0 0 0.5750 1.6458 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8625 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 -1.6875 0.8458 0.0000 O 0 0 0 0 0 0 0 0 0 -0.0458 0.8458 0.0000 O 0 0 0 0 0 0 0 0 0 0.5667 -2.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0.5542 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 1.2792 2.0458 0.0000 N 0 0 0 0 0 0 0 0 0 0.4417 2.6583 0.0000 O 0 0 0 0 0 0 0 0 0 1.2792 -2.8750 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5708 2.0833 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1458 -2.8750 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1333 2.8833 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8458 3.3125 0.0000 O 0 0 0 0 0 0 0 0 0 -0.1458 -0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5833 -0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8625 -2.4542 0.0000 O 0 0 0 0 0 0 0 0 0 -0.8625 -1.6375 0.0000 C 0 0 0 0 0 0 0 0 0 1.2792 -3.7000 0.0000 Cl 0 0 0 0 0 0 0 0 0 -1.5833 -1.2167 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1458 -1.2167 0.0000 C 0 0 0 0 0 0 0 0 0 2.0000 1.6375 0.0000 O 0 0 0 0 0 0 0 0 0 -1.5625 2.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0.5542 -1.6417 0.0000 C 0 0 0 0 0 0 0 0 0 2.0000 -2.4667 0.0000 C 0 0 0 0 0 0 0 0 0 1.2750 -1.2167 0.0000 C 0 0 0 0 0 0 0 0 0 2.0000 -1.6375 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 6 0 0 3 2 1 0 0 0 3 4 1 6 0 0 5 1 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 14 1 0 0 0 9 4 2 0 0 0 10 4 1 0 0 0 3 11 1 1 0 0 12 8 2 0 0 0 13 2 1 0 0 0 14 19 1 0 0 0 15 3 1 0 0 0 16 25 1 0 0 0 17 5 2 0 0 0 18 5 1 0 0 0 19 20 1 0 0 0 20 22 1 0 0 0 21 12 1 0 0 0 22 18 2 0 0 0 23 17 1 0 0 0 24 10 1 0 0 0 25 13 1 0 0 0 26 8 1 0 0 0 27 12 1 0 0 0 28 26 2 0 0 0 29 28 1 0 0 0 23 20 2 0 0 0 15 16 1 0 0 0 27 29 2 0 0 0 M END > 8.56863623584101 > 5.55284196865778 $$$$ 11280715002D 1 1.00000 0.00000 0 26 27 0 0 0 999 V2000 7.2625 -4.7625 0.0000 N 0 3 0 0 0 0 0 0 0 5.7000 -6.8792 0.0000 C 0 0 0 0 0 0 0 0 0 5.1750 -6.5750 0.0000 N 0 0 3 0 0 0 0 0 0 5.7000 -7.4792 0.0000 N 0 0 0 0 0 0 0 0 0 4.1292 -6.5750 0.0000 C 0 0 0 0 0 0 0 0 0 6.7500 -5.0667 0.0000 C 0 0 0 0 0 0 0 0 0 4.6542 -6.8792 0.0000 C 0 0 0 0 0 0 0 0 0 7.7917 -5.0667 0.0000 O 0 5 0 0 0 0 0 0 0 7.2625 -4.1542 0.0000 O 0 0 0 0 0 0 0 0 0 6.2167 -6.5750 0.0000 O 0 0 0 0 0 0 0 0 0 5.1750 -5.9667 0.0000 C 0 0 0 0 0 0 0 0 0 3.6042 -6.8792 0.0000 O 0 0 0 0 0 0 0 0 0 4.1292 -5.9667 0.0000 N 0 0 0 0 0 0 0 0 0 6.7500 -5.6667 0.0000 C 0 0 0 0 0 0 0 0 0 6.2167 -4.7625 0.0000 C 0 0 0 0 0 0 0 0 0 6.2167 -7.7792 0.0000 C 0 0 0 0 0 0 0 0 0 5.7000 -5.6667 0.0000 C 0 0 0 0 0 0 0 0 0 7.2625 -8.3875 0.0000 C 0 0 0 0 0 0 0 0 0 6.2167 -5.9667 0.0000 C 0 0 0 0 0 0 0 0 0 5.7000 -5.0667 0.0000 C 0 0 0 0 0 0 0 0 0 7.7875 -8.6917 0.0000 F 0 0 0 0 0 0 0 0 0 6.7292 -7.4792 0.0000 C 0 0 0 0 0 0 0 0 0 6.2167 -8.3875 0.0000 C 0 0 0 0 0 0 0 0 0 3.6042 -5.6667 0.0000 O 0 0 0 0 0 0 0 0 0 6.7417 -8.6917 0.0000 C 0 0 0 0 0 0 0 0 0 7.2625 -7.7750 0.0000 C 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 3 11 1 0 0 0 4 2 1 0 0 0 5 7 1 0 0 0 6 1 1 0 0 0 7 3 1 0 0 0 8 1 1 0 0 0 9 1 2 0 0 0 10 2 2 0 0 0 11 17 1 0 0 0 12 5 2 0 0 0 13 5 1 0 0 0 14 6 2 0 0 0 15 6 1 0 0 0 16 4 1 0 0 0 17 20 1 0 0 0 18 25 2 0 0 0 19 14 1 0 0 0 20 15 2 0 0 0 21 18 1 0 0 0 22 16 1 0 0 0 23 16 2 0 0 0 24 13 1 0 0 0 25 23 1 0 0 0 26 22 2 0 0 0 17 19 2 0 0 0 26 18 1 0 0 0 M CHG 2 1 1 8 -1 M END > 7.67778070526608 > 7.67778070526608 $$$$ 11280715242D 1 1.00000 0.00000 0 29 31 0 0 0 999 V2000 4.8750 -1.7375 0.0000 S 0 0 3 0 0 0 0 0 0 4.8750 -2.3375 0.0000 N 0 0 3 0 0 0 0 0 0 4.3625 -2.6375 0.0000 C 0 0 3 0 0 0 0 0 0 4.8750 -3.5375 0.0000 N 0 0 3 0 0 0 0 0 0 4.3625 -3.2375 0.0000 C 0 0 0 0 0 0 0 0 0 4.8750 -4.1292 0.0000 C 0 0 0 0 0 0 0 0 0 3.8417 -2.3375 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -2.6375 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 4.3250 -1.3500 0.0000 O 0 0 0 0 0 0 0 0 0 5.5875 -2.1500 0.0000 O 0 0 0 0 0 0 0 0 0 5.3917 -3.2375 0.0000 C 0 0 0 0 0 0 0 0 0 4.3542 -4.4292 0.0000 O 0 0 0 0 0 0 0 0 0 3.8375 -1.7375 0.0000 O 0 0 0 0 0 0 0 0 0 3.3167 -2.6375 0.0000 N 0 0 0 0 0 0 0 0 0 5.3917 -4.4375 0.0000 C 0 0 3 0 0 0 0 0 0 5.9125 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 6.4292 -0.8292 0.0000 C 0 0 0 0 0 0 0 0 0 5.9042 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 6.4292 -1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 2.8000 -2.3375 0.0000 O 0 0 0 0 0 0 0 0 0 6.9500 -0.5292 0.0000 O 0 0 0 0 0 0 0 0 0 5.9125 -4.1292 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -5.0375 0.0000 C 0 0 0 0 0 0 0 0 0 7.4667 -0.8292 0.0000 C 0 0 0 0 0 0 0 0 0 5.9042 -5.3375 0.0000 C 0 0 0 0 0 0 0 0 0 6.4292 -4.4417 0.0000 C 0 0 0 0 0 0 0 0 0 6.4292 -5.0417 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 12 1 0 0 0 5 3 1 0 0 0 6 4 1 0 0 0 7 3 1 0 0 0 8 2 1 0 0 0 9 1 1 0 0 0 10 1 2 0 0 0 11 1 2 0 0 0 12 8 1 0 0 0 13 6 2 0 0 0 14 7 2 0 0 0 15 7 1 0 0 0 16 6 1 0 0 0 17 9 2 0 0 0 18 9 1 0 0 0 19 20 1 0 0 0 20 18 2 0 0 0 21 17 1 0 0 0 22 15 1 0 0 0 23 19 1 0 0 0 24 16 1 0 0 0 25 16 1 0 0 0 26 23 1 0 0 0 27 25 1 0 0 0 28 24 1 0 0 0 29 27 1 0 0 0 19 21 2 0 0 0 4 5 1 0 0 0 29 28 1 0 0 0 M END > 8.82390874094432 > 6.65955588515988 $$$$ 11280715082D 1 1.00000 0.00000 0 31 33 0 0 0 999 V2000 7.7292 -9.9500 0.0000 C 0 0 3 0 0 0 0 0 0 7.0167 -10.3667 0.0000 S 0 0 3 0 0 0 0 0 0 8.4500 -10.3500 0.0000 C 0 0 0 0 0 0 0 0 0 7.0167 -9.5417 0.0000 C 0 0 0 0 0 0 0 0 0 8.4417 -9.5417 0.0000 C 0 0 0 0 0 0 0 0 0 6.3000 -9.9542 0.0000 C 0 0 0 0 0 0 0 0 0 7.6000 -10.9500 0.0000 O 0 0 0 0 0 0 0 0 0 6.4292 -10.9500 0.0000 O 0 0 0 0 0 0 0 0 0 7.7292 -8.3000 0.0000 N 0 0 3 0 0 0 0 0 0 8.4625 -11.1750 0.0000 O 0 0 0 0 0 0 0 0 0 9.1542 -9.9292 0.0000 N 0 0 0 0 0 0 0 0 0 7.0167 -8.7167 0.0000 C 0 0 0 0 0 0 0 0 0 8.4417 -8.7167 0.0000 C 0 0 0 0 0 0 0 0 0 5.5792 -10.3667 0.0000 C 0 0 0 0 0 0 0 0 0 6.3000 -9.1250 0.0000 C 0 0 0 0 0 0 0 0 0 4.8667 -9.1250 0.0000 C 0 0 0 0 0 0 0 0 0 4.8667 -9.9542 0.0000 C 0 0 0 0 0 0 0 0 0 5.5792 -8.7125 0.0000 C 0 0 0 0 0 0 0 0 0 9.8792 -10.3292 0.0000 O 0 0 0 0 0 0 0 0 0 7.7292 -7.4750 0.0000 C 0 0 0 0 0 0 0 0 0 9.1625 -5.0042 0.0000 C 0 0 0 0 0 0 0 0 0 8.4417 -7.0625 0.0000 C 0 0 0 0 0 0 0 0 0 4.1542 -8.7125 0.0000 O 0 0 0 0 0 0 0 0 0 9.1625 -5.8292 0.0000 O 0 0 0 0 0 0 0 0 0 8.4417 -6.2417 0.0000 C 0 0 0 0 0 0 0 0 0 8.4500 -4.5917 0.0000 C 0 0 0 0 0 0 0 0 0 9.8750 -4.5875 0.0000 C 0 0 0 0 0 0 0 0 0 3.4417 -9.1250 0.0000 C 0 0 0 0 0 0 0 0 0 8.4500 -3.7625 0.0000 C 0 0 0 0 0 0 0 0 0 9.8792 -3.7667 0.0000 C 0 0 0 0 0 0 0 0 0 9.1667 -3.3542 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 1 1 0 0 0 5 1 1 0 0 0 6 2 1 0 0 0 7 2 2 0 0 0 8 2 2 0 0 0 9 13 1 0 0 0 10 3 2 0 0 0 11 3 1 0 0 0 12 4 1 0 0 0 13 5 1 0 0 0 14 6 2 0 0 0 15 6 1 0 0 0 16 18 1 0 0 0 17 14 1 0 0 0 18 15 2 0 0 0 19 11 1 0 0 0 20 9 1 0 0 0 21 24 1 0 0 0 22 20 1 0 0 0 23 16 1 0 0 0 24 25 1 0 0 0 25 22 1 0 0 0 26 21 2 0 0 0 27 21 1 0 0 0 28 23 1 0 0 0 29 26 1 0 0 0 30 27 2 0 0 0 31 30 1 0 0 0 12 9 1 0 0 0 17 16 2 0 0 0 31 29 2 0 0 0 M END > 8.39794000867204 > 5.91721462968355 $$$$ 11280715202D 1 1.00000 0.00000 0 28 30 0 0 0 999 V2000 -1.3375 2.1125 0.0000 S 0 0 3 0 0 0 0 0 0 -2.7833 2.1250 0.0000 C 0 0 3 0 0 0 0 0 0 -2.0625 2.5458 0.0000 N 0 0 0 0 0 0 0 0 0 -3.5000 2.5458 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6125 1.6875 0.0000 C 0 0 0 0 0 0 0 0 0 -0.9083 2.8458 0.0000 O 0 0 0 0 0 0 0 0 0 -1.6208 1.3875 0.0000 O 0 0 0 0 0 0 0 0 0 -3.5000 3.3833 0.0000 O 0 0 0 0 0 0 0 0 0 -4.2208 2.1250 0.0000 N 0 0 0 0 0 0 0 0 0 -3.5083 1.7083 0.0000 C 0 0 0 0 0 0 0 0 0 -2.0583 1.7083 0.0000 C 0 0 0 0 0 0 0 0 0 -2.7833 0.4500 0.0000 O 0 0 0 0 0 0 0 0 0 1.5417 0.4375 0.0000 O 0 0 0 0 0 0 0 0 0 -0.6125 0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0.1042 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0.8250 0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 1.5417 -0.3917 0.0000 C 0 0 0 0 0 0 0 0 0 1.5417 -2.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0.8250 1.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0.1042 0.4333 0.0000 C 0 0 0 0 0 0 0 0 0 1.5417 -2.8792 0.0000 Cl 0 0 0 0 0 0 0 0 0 -4.2208 1.2958 0.0000 O 0 0 0 0 0 0 0 0 0 2.2542 -0.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0.8167 -0.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0.8167 -1.6375 0.0000 C 0 0 0 0 0 0 0 0 0 2.2667 -1.6292 0.0000 C 0 0 0 0 0 0 0 0 0 -2.0625 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 -3.5083 0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 3 1 1 0 0 0 4 2 1 0 0 0 5 1 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 4 2 0 0 0 9 4 1 0 0 0 10 2 1 0 0 0 11 2 1 0 0 0 12 27 1 0 0 0 13 16 1 0 0 0 14 5 2 0 0 0 15 5 1 0 0 0 16 19 1 0 0 0 17 13 1 0 0 0 18 25 2 0 0 0 19 15 2 0 0 0 20 14 1 0 0 0 21 18 1 0 0 0 22 9 1 0 0 0 23 17 1 0 0 0 24 17 2 0 0 0 25 24 1 0 0 0 26 23 2 0 0 0 27 11 1 0 0 0 28 10 1 0 0 0 16 20 2 0 0 0 12 28 1 0 0 0 18 26 1 0 0 0 M END > 9.45593195564972 > 7.22914798835786 $$$$ 11280715192D 1 1.00000 0.00000 0 29 31 0 1 0 999 V2000 6.0417 -1.7750 0.0000 S 0 0 3 0 0 0 0 0 0 1.5125 0.3958 0.0000 N 0 0 0 0 0 0 0 0 0 2.7500 -0.3292 0.0000 C 0 0 0 0 0 0 0 0 0 3.5750 -0.3292 0.0000 N 0 0 0 0 0 0 0 0 0 2.3375 0.3875 0.0000 N 0 0 0 0 0 0 0 0 0 5.2167 -1.7667 0.0000 N 0 0 0 0 0 0 0 0 0 3.9875 -1.0500 0.0000 C 0 0 0 0 0 0 0 0 0 4.8125 -1.0542 0.0000 C 0 0 2 0 0 0 0 0 0 1.1000 -0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 2.3292 -1.0417 0.0000 S 0 0 0 0 0 0 0 0 0 6.0375 -0.9500 0.0000 O 0 0 0 0 0 0 0 0 0 6.8667 -1.7750 0.0000 O 0 0 0 0 0 0 0 0 0 6.4500 -2.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0.2750 -0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 1.5125 -1.0375 0.0000 C 0 0 0 0 0 0 0 0 0 3.5667 -1.7625 0.0000 O 0 0 0 0 0 0 0 0 0 -0.1333 0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1333 -1.0250 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3750 -0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 -0.9583 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 -0.9583 0.4083 0.0000 C 0 0 0 0 0 0 0 0 0 -2.2000 -0.3042 0.0000 F 0 0 0 0 0 0 0 0 0 5.5250 -0.6375 0.0000 C 0 0 0 0 0 0 0 0 0 7.2750 -2.4917 0.0000 C 0 0 0 0 0 0 0 0 0 6.0292 -3.2000 0.0000 C 0 0 0 0 0 0 0 0 0 6.4375 -3.9167 0.0000 C 0 0 0 0 0 0 0 0 0 7.6792 -3.2042 0.0000 C 0 0 0 0 0 0 0 0 0 7.2625 -3.9167 0.0000 C 0 0 0 0 0 0 0 0 0 4.8042 -0.2292 0.0000 H 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 3 4 1 0 0 0 4 7 1 0 0 0 5 3 2 0 0 0 6 1 1 0 0 0 7 8 1 0 0 0 8 6 1 0 0 0 9 15 1 0 0 0 10 3 1 0 0 0 11 1 2 0 0 0 12 1 2 0 0 0 13 1 1 0 0 0 14 9 1 0 0 0 15 10 1 0 0 0 16 7 2 0 0 0 17 14 2 0 0 0 18 14 1 0 0 0 19 20 1 0 0 0 20 18 2 0 0 0 21 17 1 0 0 0 22 19 1 0 0 0 8 23 1 6 0 0 24 13 1 0 0 0 25 13 2 0 0 0 26 25 1 0 0 0 27 24 2 0 0 0 28 26 2 0 0 0 8 29 1 1 0 0 27 28 1 0 0 0 2 9 2 0 0 0 21 19 2 0 0 0 M END > 6.18708664335714 > 6.35654732351381 $$$$ 11280715002D 1 1.00000 0.00000 0 38 40 0 0 0 999 V2000 3.8542 -7.2292 0.0000 S 0 0 3 0 0 0 0 0 0 7.5167 -7.2167 0.0000 S 0 0 3 0 0 0 0 0 0 3.3375 -6.9292 0.0000 N 0 0 3 0 0 0 0 0 0 6.9542 -7.0250 0.0000 N 0 0 0 0 0 0 0 0 0 5.4250 -5.1167 0.0000 N 0 3 0 0 0 0 0 0 0 6.4917 -7.4167 0.0000 C 0 0 0 0 0 0 0 0 0 4.3750 -7.5292 0.0000 C 0 0 0 0 0 0 0 0 0 2.8125 -7.2292 0.0000 C 0 0 0 0 0 0 0 0 0 8.0875 -7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 3.5542 -7.7542 0.0000 O 0 0 0 0 0 0 0 0 0 4.1667 -6.7042 0.0000 O 0 0 0 0 0 0 0 0 0 2.2792 -6.9292 0.0000 C 0 0 0 0 0 0 0 0 0 4.8875 -7.2250 0.0000 C 0 0 0 0 0 0 0 0 0 4.9000 -5.4167 0.0000 C 0 0 0 0 0 0 0 0 0 7.7167 -6.6417 0.0000 O 0 0 0 0 0 0 0 0 0 7.3250 -7.7917 0.0000 O 0 0 0 0 0 0 0 0 0 5.9167 -7.2167 0.0000 N 0 0 0 0 0 0 0 0 0 5.9417 -5.4167 0.0000 O 0 5 0 0 0 0 0 0 0 3.3375 -6.3292 0.0000 C 0 0 0 0 0 0 0 0 0 5.4250 -4.5167 0.0000 O 0 0 0 0 0 0 0 0 0 5.4042 -7.5292 0.0000 C 0 0 0 0 0 0 0 0 0 6.4917 -7.9042 0.0000 O 0 0 0 0 0 0 0 0 0 1.7667 -7.2292 0.0000 O 0 0 0 0 0 0 0 0 0 8.5500 -7.0292 0.0000 C 0 0 0 0 0 0 0 0 0 8.2000 -8.0167 0.0000 C 0 0 0 0 0 0 0 0 0 4.3750 -5.1167 0.0000 C 0 0 0 0 0 0 0 0 0 4.9000 -6.0250 0.0000 C 0 0 0 0 0 0 0 0 0 3.8542 -6.0250 0.0000 C 0 0 0 0 0 0 0 0 0 9.2167 -7.8250 0.0000 C 0 0 0 0 0 0 0 0 0 2.2792 -6.3292 0.0000 O 0 0 0 0 0 0 0 0 0 3.8542 -5.4167 0.0000 C 0 0 0 0 0 0 0 0 0 4.3792 -6.3292 0.0000 C 0 0 0 0 0 0 0 0 0 8.7667 -8.2167 0.0000 C 0 0 0 0 0 0 0 0 0 9.1042 -7.2250 0.0000 C 0 0 0 0 0 0 0 0 0 9.7917 -8.0292 0.0000 Cl 0 0 0 0 0 0 0 0 0 4.3750 -8.1292 0.0000 C 0 0 0 0 0 0 0 0 0 4.8875 -8.4167 0.0000 C 0 0 0 0 0 0 0 0 0 5.4042 -8.1292 0.0000 C 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 3 1 1 0 0 0 4 6 1 0 0 0 5 14 1 0 0 0 6 17 1 0 0 0 7 1 1 0 0 0 8 3 1 0 0 0 9 2 1 0 0 0 10 1 2 0 0 0 11 1 2 0 0 0 12 8 1 0 0 0 13 7 1 0 0 0 14 27 2 0 0 0 15 2 2 0 0 0 16 2 2 0 0 0 17 21 1 0 0 0 18 5 1 0 0 0 19 3 1 0 0 0 20 5 2 0 0 0 21 13 2 0 0 0 22 6 2 0 0 0 23 12 2 0 0 0 24 9 1 0 0 0 25 9 2 0 0 0 26 31 2 0 0 0 27 32 1 0 0 0 28 19 1 0 0 0 29 33 2 0 0 0 30 12 1 0 0 0 31 28 1 0 0 0 32 28 2 0 0 0 33 25 1 0 0 0 34 24 2 0 0 0 35 29 1 0 0 0 36 7 2 0 0 0 37 36 1 0 0 0 38 37 2 0 0 0 21 38 1 0 0 0 26 14 1 0 0 0 34 29 1 0 0 0 M CHG 2 5 1 18 -1 M END > 7.43179827593301 > 7.43179827593301 $$$$ 11280714562D 1 1.00000 0.00000 0 23 24 0 1 0 999 V2000 2.7125 -1.1250 0.0000 S 0 0 3 0 0 0 0 0 0 3.3125 -1.1250 0.0000 N 0 0 0 0 0 0 0 0 0 3.6042 -0.6042 0.0000 C 0 0 2 0 0 0 0 0 0 4.2042 -0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 2.1125 -1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 2.7042 -0.5250 0.0000 O 0 0 0 0 0 0 0 0 0 2.7042 -1.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0.9167 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 4.5125 -1.1167 0.0000 O 0 0 0 0 0 0 0 0 0 1.8000 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 1.8167 -1.6625 0.0000 C 0 0 0 0 0 0 0 0 0 3.3042 -0.0792 0.0000 C 0 0 3 0 0 0 0 0 0 1.2167 -1.6667 0.0000 C 0 0 0 0 0 0 0 0 0 1.2042 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0.3167 -1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 4.5042 -0.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0.0042 -0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0.0250 -1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 3.6042 0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 2.7875 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5958 -0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5750 -1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8833 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 1 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 13 2 0 0 0 9 4 2 0 0 0 10 5 1 0 0 0 11 5 2 0 0 0 3 12 1 1 0 0 13 11 1 0 0 0 14 10 2 0 0 0 15 8 1 0 0 0 16 4 1 0 0 0 17 15 1 0 0 0 18 15 2 0 0 0 19 12 1 0 0 0 20 12 1 0 0 0 21 17 2 0 0 0 22 18 1 0 0 0 23 22 2 0 0 0 8 14 1 0 0 0 23 21 1 0 0 0 M END > 7.20760831050175 > 5.26760624017703 $$$$ 11280714592D 1 1.00000 0.00000 0 28 29 0 0 0 999 V2000 5.4375 -7.2250 0.0000 S 0 0 3 0 0 0 0 0 0 4.9167 -6.9250 0.0000 N 0 0 3 0 0 0 0 0 0 7.5292 -7.2167 0.0000 N 0 3 0 0 0 0 0 0 0 7.0042 -5.1125 0.0000 N 0 3 0 0 0 0 0 0 0 5.9625 -7.5292 0.0000 C 0 0 0 0 0 0 0 0 0 4.3917 -7.2250 0.0000 C 0 0 0 0 0 0 0 0 0 3.8667 -6.9250 0.0000 C 0 0 0 0 0 0 0 0 0 6.4792 -7.2250 0.0000 C 0 0 0 0 0 0 0 0 0 7.0000 -7.5250 0.0000 C 0 0 0 0 0 0 0 0 0 5.1375 -7.7500 0.0000 O 0 0 0 0 0 0 0 0 0 5.7500 -6.7042 0.0000 O 0 0 0 0 0 0 0 0 0 6.4792 -5.4125 0.0000 C 0 0 0 0 0 0 0 0 0 8.0542 -7.5167 0.0000 O 0 5 0 0 0 0 0 0 0 7.5292 -5.4125 0.0000 O 0 5 0 0 0 0 0 0 0 4.9167 -6.3167 0.0000 C 0 0 0 0 0 0 0 0 0 7.5250 -6.6167 0.0000 O 0 0 0 0 0 0 0 0 0 7.0042 -4.5042 0.0000 O 0 0 0 0 0 0 0 0 0 3.3500 -7.2250 0.0000 O 0 0 0 0 0 0 0 0 0 3.8667 -6.3167 0.0000 N 0 0 0 0 0 0 0 0 0 5.9542 -5.1125 0.0000 C 0 0 0 0 0 0 0 0 0 6.4792 -6.0167 0.0000 C 0 0 0 0 0 0 0 0 0 5.4375 -6.0167 0.0000 C 0 0 0 0 0 0 0 0 0 5.4375 -5.4125 0.0000 C 0 0 0 0 0 0 0 0 0 5.9625 -6.3167 0.0000 C 0 0 0 0 0 0 0 0 0 3.3500 -6.0167 0.0000 O 0 0 0 0 0 0 0 0 0 5.9542 -8.1292 0.0000 C 0 0 0 0 0 0 0 0 0 7.0042 -8.1292 0.0000 C 0 0 0 0 0 0 0 0 0 6.4792 -8.4292 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 9 1 0 0 0 4 12 1 0 0 0 5 1 1 0 0 0 6 2 1 0 0 0 7 6 1 0 0 0 8 5 1 0 0 0 9 8 2 0 0 0 10 1 2 0 0 0 11 1 2 0 0 0 12 21 2 0 0 0 13 3 1 0 0 0 14 4 1 0 0 0 15 2 1 0 0 0 16 3 2 0 0 0 17 4 2 0 0 0 18 7 2 0 0 0 19 7 1 0 0 0 20 23 2 0 0 0 21 24 1 0 0 0 22 15 1 0 0 0 23 22 1 0 0 0 24 22 2 0 0 0 25 19 1 0 0 0 26 5 2 0 0 0 27 28 2 0 0 0 28 26 1 0 0 0 9 27 1 0 0 0 12 20 1 0 0 0 M CHG 4 3 1 4 1 13 -1 14 -1 M END > 7.92081875395237 > 7.92081875395237 $$$$ 11280715442D 1 1.00000 0.00000 0 35 37 0 0 0 999 V2000 -0.2083 0.4833 0.0000 S 0 0 3 0 0 0 0 0 0 -0.2333 -0.2917 0.0000 N 0 0 3 0 0 0 0 0 0 -0.8625 -0.7167 0.0000 C 0 0 3 0 0 0 0 0 0 -0.3625 -2.0042 0.0000 N 0 0 3 0 0 0 0 0 0 0.3917 -1.9000 0.0000 C 0 0 0 0 0 0 0 0 0 -0.9333 -1.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0.5042 -0.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0.7792 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5208 -0.3292 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6000 -2.7375 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1833 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 -0.9833 0.5083 0.0000 O 0 0 0 0 0 0 0 0 0 0.5542 0.4583 0.0000 O 0 0 0 0 0 0 0 0 0 0.5917 4.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0.6167 5.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0.7750 -2.5667 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5208 0.4458 0.0000 O 0 0 0 0 0 0 0 0 0 1.5417 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0833 -3.3042 0.0000 O 0 0 0 0 0 0 0 0 0 -2.2000 -0.7042 0.0000 N 0 0 0 0 0 0 0 0 0 0.5000 1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8333 1.6583 0.0000 C 0 0 0 0 0 0 0 0 0 1.5417 -2.5667 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1333 2.7958 0.0000 C 0 0 0 0 0 0 0 0 0 1.9167 -1.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0.5167 2.3958 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8125 2.4208 0.0000 C 0 0 0 0 0 0 0 0 0 1.5375 -3.9000 0.0000 N 0 0 0 0 0 0 0 0 0 -2.8583 -0.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0.5667 3.9208 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1083 3.5583 0.0000 O 0 0 0 0 0 0 0 0 0 -1.3458 -2.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0.6375 6.2167 0.0000 C 0 0 0 0 0 0 0 0 0 1.9167 -3.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0.7667 -3.8917 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 6 1 0 0 0 5 8 2 0 0 0 6 3 1 0 0 0 7 2 1 0 0 0 8 7 1 0 0 0 9 3 1 0 0 0 10 4 1 0 0 0 11 1 1 0 0 0 12 1 2 0 0 0 13 1 2 0 0 0 14 30 1 0 0 0 15 14 3 0 0 0 16 5 1 0 0 0 17 9 2 0 0 0 18 8 1 0 0 0 19 10 2 0 0 0 20 9 1 0 0 0 21 11 2 0 0 0 22 11 1 0 0 0 23 25 1 0 0 0 24 27 1 0 0 0 25 18 2 0 0 0 26 21 1 0 0 0 27 22 2 0 0 0 28 34 1 0 0 0 29 20 1 0 0 0 30 31 1 0 0 0 31 24 1 0 0 0 32 10 1 0 0 0 33 15 1 0 0 0 34 23 1 0 0 0 35 28 1 0 0 0 26 24 2 0 0 0 4 5 1 0 0 0 16 23 2 0 0 0 M END > 7.49485002168009 > 6.34103515733557 $$$$ 11280715082D 1 1.00000 0.00000 0 36 39 0 0 0 999 V2000 4.1042 -4.2917 0.0000 C 0 0 3 0 0 0 0 0 0 3.3917 -4.7042 0.0000 S 0 0 3 0 0 0 0 0 0 4.8292 -4.6917 0.0000 C 0 0 0 0 0 0 0 0 0 3.4000 -3.8792 0.0000 C 0 0 0 0 0 0 0 0 0 4.8167 -3.8792 0.0000 C 0 0 0 0 0 0 0 0 0 2.6792 -4.2917 0.0000 C 0 0 0 0 0 0 0 0 0 4.1042 -2.6417 0.0000 N 0 0 3 0 0 0 0 0 0 3.9792 -5.2917 0.0000 O 0 0 0 0 0 0 0 0 0 2.8042 -5.2917 0.0000 O 0 0 0 0 0 0 0 0 0 4.8417 -5.5167 0.0000 O 0 0 0 0 0 0 0 0 0 5.5375 -4.2667 0.0000 N 0 0 0 0 0 0 0 0 0 3.4000 -3.0542 0.0000 C 0 0 0 0 0 0 0 0 0 4.8167 -3.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0.5292 -3.0542 0.0000 O 0 0 0 0 0 0 0 0 0 1.9625 -4.7042 0.0000 C 0 0 0 0 0 0 0 0 0 2.6792 -3.4667 0.0000 C 0 0 0 0 0 0 0 0 0 4.1042 -1.8167 0.0000 C 0 0 0 0 0 0 0 0 0 1.2500 -3.4667 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1958 -3.4167 0.0000 C 0 0 0 0 0 0 0 0 0 4.8250 -1.4042 0.0000 C 0 0 0 0 0 0 0 0 0 -1.6583 -4.1542 0.0000 C 0 0 0 0 0 0 0 0 0 6.2542 -0.5792 0.0000 C 0 0 0 0 0 0 0 0 0 1.9625 -3.0542 0.0000 C 0 0 0 0 0 0 0 0 0 1.2500 -4.2917 0.0000 C 0 0 0 0 0 0 0 0 0 -2.3958 -4.5250 0.0000 Cl 0 0 0 0 0 0 0 0 0 6.2542 -4.6667 0.0000 O 0 0 0 0 0 0 0 0 0 -0.2458 -4.2292 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8833 -2.9667 0.0000 C 0 0 0 0 0 0 0 0 0 -1.6125 -3.3292 0.0000 C 0 0 0 0 0 0 0 0 0 -0.9708 -4.6042 0.0000 C 0 0 0 0 0 0 0 0 0 5.5375 -1.8167 0.0000 C 0 0 0 0 0 0 0 0 0 4.8167 -0.5792 0.0000 C 0 0 0 0 0 0 0 0 0 5.5292 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 6.2500 -1.4042 0.0000 C 0 0 0 0 0 0 0 0 0 6.9625 -0.1667 0.0000 O 0 0 0 0 0 0 0 0 0 6.9625 0.6583 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 1 1 0 0 0 5 1 1 0 0 0 6 2 1 0 0 0 7 13 1 0 0 0 8 2 2 0 0 0 9 2 2 0 0 0 10 3 2 0 0 0 11 3 1 0 0 0 12 4 1 0 0 0 13 5 1 0 0 0 14 18 1 0 0 0 15 6 2 0 0 0 16 6 1 0 0 0 17 7 1 0 0 0 18 23 1 0 0 0 19 14 1 0 0 0 20 17 1 0 0 0 21 29 2 0 0 0 22 33 1 0 0 0 23 16 2 0 0 0 24 15 1 0 0 0 25 21 1 0 0 0 26 11 1 0 0 0 27 19 1 0 0 0 28 19 2 0 0 0 29 28 1 0 0 0 30 27 2 0 0 0 31 20 2 0 0 0 32 20 1 0 0 0 33 32 2 0 0 0 34 31 1 0 0 0 35 22 1 0 0 0 36 35 1 0 0 0 12 7 1 0 0 0 18 24 2 0 0 0 34 22 2 0 0 0 30 21 1 0 0 0 M END > 9 > 6.30980391997149 $$$$ Mrv0541 04051115152D 23 22 0 0 0 0 999 V2000 0.4242 0.3650 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 2.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5044 1.6123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1159 -0.2586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5463 -1.9736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2343 0.2091 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5044 -0.5704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7248 -0.8405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2839 -0.3004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7744 0.8328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1246 1.3005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8163 -1.1941 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2763 -0.5704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5463 0.2091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4661 -0.7263 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1961 -1.5059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.1027 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1961 0.6768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6560 1.3005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1541 1.1446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1541 -1.0382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7744 -1.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5845 0.6768 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4 1 1 0 0 0 0 6 1 1 6 0 0 0 19 2 1 0 0 0 0 10 3 2 0 0 0 0 17 4 1 0 0 0 0 4 21 2 0 0 0 0 12 5 1 0 0 0 0 6 7 1 0 0 0 0 10 6 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 22 1 0 0 0 0 10 23 1 0 0 0 0 11 23 1 0 0 0 0 13 12 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 6 0 0 0 15 17 1 0 0 0 0 17 18 1 1 0 0 0 19 18 1 0 0 0 0 19 20 1 0 0 0 0 M END > 8.92081875395237 > 9.15490195998574 $$$$ 11280715242D 1 1.00000 0.00000 0 31 33 0 0 0 999 V2000 4.8750 -1.4750 0.0000 S 0 0 3 0 0 0 0 0 0 4.8750 -2.0750 0.0000 N 0 0 3 0 0 0 0 0 0 4.3625 -2.3750 0.0000 C 0 0 3 0 0 0 0 0 0 4.8750 -3.2750 0.0000 N 0 0 3 0 0 0 0 0 0 4.8750 -3.8750 0.0000 C 0 0 0 0 0 0 0 0 0 4.3625 -2.9750 0.0000 C 0 0 0 0 0 0 0 0 0 3.8417 -2.0750 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -2.3750 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -4.1750 0.0000 N 0 0 3 0 0 0 0 0 0 5.3917 -1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 4.3250 -1.0875 0.0000 O 0 0 0 0 0 0 0 0 0 5.5875 -1.8875 0.0000 O 0 0 0 0 0 0 0 0 0 5.3917 -2.9750 0.0000 C 0 0 0 0 0 0 0 0 0 4.8750 -5.0750 0.0000 C 0 0 3 0 0 0 0 0 0 5.3917 -4.7750 0.0000 C 0 0 0 0 0 0 0 0 0 4.3542 -4.1667 0.0000 O 0 0 0 0 0 0 0 0 0 4.5750 -5.5917 0.0000 C 0 0 0 0 0 0 0 0 0 4.2750 -5.0750 0.0000 C 0 0 0 0 0 0 0 0 0 3.8375 -1.4750 0.0000 O 0 0 0 0 0 0 0 0 0 3.3167 -2.3750 0.0000 N 0 0 0 0 0 0 0 0 0 5.9125 -1.4667 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -0.5750 0.0000 C 0 0 0 0 0 0 0 0 0 6.4292 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 5.9042 -0.2667 0.0000 C 0 0 0 0 0 0 0 0 0 6.4292 -1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 2.8000 -2.0750 0.0000 O 0 0 0 0 0 0 0 0 0 5.9167 -3.8750 0.0000 C 0 0 0 0 0 0 0 0 0 6.9500 -0.2667 0.0000 O 0 0 0 0 0 0 0 0 0 7.4667 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 6.4292 -4.1750 0.0000 C 0 0 0 0 0 0 0 0 0 6.9542 -3.8750 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 13 1 0 0 0 5 4 1 0 0 0 6 3 1 0 0 0 7 3 1 0 0 0 8 2 1 0 0 0 9 5 1 0 0 0 10 1 1 0 0 0 11 1 2 0 0 0 12 1 2 0 0 0 13 8 1 0 0 0 14 15 1 0 0 0 15 9 1 0 0 0 16 5 2 0 0 0 17 14 1 0 0 0 18 14 1 0 0 0 19 7 2 0 0 0 20 7 1 0 0 0 21 10 2 0 0 0 22 10 1 0 0 0 23 24 1 0 0 0 24 22 2 0 0 0 25 21 1 0 0 0 26 20 1 0 0 0 27 9 1 0 0 0 28 23 1 0 0 0 29 28 1 0 0 0 30 27 1 0 0 0 31 30 1 0 0 0 23 25 2 0 0 0 4 6 1 0 0 0 18 17 1 0 0 0 M END > 8.95860731484177 > 6.30715308072277 $$$$ 11280715312D 1 1.00000 0.00000 0 27 29 0 1 0 999 V2000 0.4250 -3.3875 0.0000 N 0 0 3 0 0 0 0 0 0 0.4250 -2.7875 0.0000 S 0 0 3 0 0 0 0 0 0 -0.0583 -3.7375 0.0000 C 0 0 2 0 0 0 0 0 0 0.9125 -3.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0.1250 -4.3125 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6333 -3.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0.7250 -4.3125 0.0000 C 0 0 2 0 0 0 0 0 0 1.0792 -4.7917 0.0000 N 0 0 3 0 0 0 0 0 0 0.9417 -2.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0.4167 -2.1875 0.0000 O 0 0 0 0 0 0 0 0 0 -0.1583 -2.6292 0.0000 O 0 0 0 0 0 0 0 0 0 -0.7583 -2.9667 0.0000 O 0 0 0 0 0 0 0 0 0 -1.0750 -3.9542 0.0000 N 0 0 0 0 0 0 0 0 0 0.9417 -1.8875 0.0000 C 0 0 0 0 0 0 0 0 0 1.4667 -2.7875 0.0000 C 0 0 0 0 0 0 0 0 0 1.9875 -1.8875 0.0000 C 0 0 0 0 0 0 0 0 0 1.9875 -2.4875 0.0000 C 0 0 0 0 0 0 0 0 0 1.4625 -1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 -1.6458 -3.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0.8917 -5.3667 0.0000 C 0 0 0 0 0 0 0 0 0 1.6792 -4.7917 0.0000 C 0 0 0 0 0 0 0 0 0 2.5042 -1.5875 0.0000 O 0 0 0 0 0 0 0 0 0 3.0250 -1.8792 0.0000 C 0 0 0 0 0 0 0 0 0 3.5417 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 1.8667 -5.3667 0.0000 C 0 0 0 0 0 0 0 0 0 1.3792 -5.7167 0.0000 C 0 0 0 0 0 0 0 0 0 4.0625 -1.8792 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 1 1 0 0 0 3 5 1 6 0 0 6 3 1 0 0 0 7 4 1 0 0 0 7 8 1 1 0 0 9 2 1 0 0 0 10 2 2 0 0 0 11 2 2 0 0 0 12 6 2 0 0 0 13 6 1 0 0 0 14 9 1 0 0 0 15 9 2 0 0 0 16 17 2 0 0 0 17 15 1 0 0 0 18 14 2 0 0 0 19 13 1 0 0 0 20 8 1 0 0 0 21 8 1 0 0 0 22 16 1 0 0 0 23 22 1 0 0 0 24 23 1 0 0 0 25 21 1 0 0 0 26 20 1 0 0 0 27 24 1 0 0 0 7 5 1 0 0 0 16 18 1 0 0 0 25 26 1 0 0 0 M END > 9 > 6.50863830616573 $$$$ 11280714532D 1 1.00000 0.00000 0 34 37 0 0 0 999 V2000 3.3375 -0.8542 0.0000 S 0 0 3 0 0 0 0 0 0 2.6292 -1.2792 0.0000 N 0 0 3 0 0 0 0 0 0 2.6292 -2.1042 0.0000 C 0 0 0 0 0 0 0 0 0 1.9167 -2.5167 0.0000 C 0 0 0 0 0 0 0 0 0 3.3500 -2.5167 0.0000 C 0 0 0 0 0 0 0 0 0 3.3500 -3.3417 0.0000 C 0 0 0 0 0 0 0 0 0 2.6292 -3.7542 0.0000 N 0 0 0 0 0 0 0 0 0 1.2042 -2.1042 0.0000 C 0 0 0 0 0 0 0 0 0 1.9167 -3.3417 0.0000 C 0 0 0 0 0 0 0 0 0 4.0542 -0.4542 0.0000 C 0 0 0 0 0 0 0 0 0 3.7417 -1.5667 0.0000 O 0 0 0 0 0 0 0 0 0 2.9167 -0.1417 0.0000 O 0 0 0 0 0 0 0 0 0 4.0542 -2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 4.0667 -3.7542 0.0000 C 0 0 0 0 0 0 0 0 0 1.9042 -0.8667 0.0000 C 0 0 0 0 0 0 0 0 0 1.2042 -1.2792 0.0000 O 0 0 0 0 0 0 0 0 0 0.4917 -2.5167 0.0000 N 0 0 0 0 0 0 0 0 0 4.7625 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 4.0625 0.3708 0.0000 C 0 0 0 0 0 0 0 0 0 4.7792 -3.3375 0.0000 C 0 0 0 0 0 0 0 0 0 4.7750 -2.5042 0.0000 C 0 0 0 0 0 0 0 0 0 5.4917 0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 1.9042 -0.0417 0.0000 C 0 0 0 0 0 0 0 0 0 4.7792 0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 5.4792 -0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 5.4917 -3.7417 0.0000 Br 0 0 0 0 0 0 0 0 0 -0.2208 -2.1042 0.0000 O 0 0 0 0 0 0 0 0 0 6.2125 0.7583 0.0000 O 0 0 0 0 0 0 0 0 0 2.6167 0.3708 0.0000 C 0 0 0 0 0 0 0 0 0 1.1875 0.3583 0.0000 C 0 0 0 0 0 0 0 0 0 6.9167 0.3375 0.0000 C 0 0 0 0 0 0 0 0 0 2.6125 1.1958 0.0000 C 0 0 0 0 0 0 0 0 0 1.1792 1.1833 0.0000 C 0 0 0 0 0 0 0 0 0 1.8917 1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 3 2 0 0 0 6 5 1 0 0 0 7 6 2 0 0 0 8 4 1 0 0 0 9 4 2 0 0 0 10 1 1 0 0 0 11 1 2 0 0 0 12 1 2 0 0 0 13 5 1 0 0 0 14 6 1 0 0 0 15 2 1 0 0 0 16 8 2 0 0 0 17 8 1 0 0 0 18 10 2 0 0 0 19 10 1 0 0 0 20 21 1 0 0 0 21 13 2 0 0 0 22 24 1 0 0 0 23 15 1 0 0 0 24 19 2 0 0 0 25 18 1 0 0 0 26 20 1 0 0 0 27 17 1 0 0 0 28 22 1 0 0 0 29 23 2 0 0 0 30 23 1 0 0 0 31 28 1 0 0 0 32 29 1 0 0 0 33 30 2 0 0 0 34 33 1 0 0 0 22 25 2 0 0 0 7 9 1 0 0 0 34 32 2 0 0 0 20 14 2 0 0 0 M END > 8.15490195998574 > 6.76447155309245 $$$$ 11280715102D 1 1.00000 0.00000 0 27 28 0 0 0 999 V2000 3.9250 -3.4792 0.0000 S 0 0 3 0 0 0 0 0 0 3.3292 -2.8917 0.0000 N 0 0 3 0 0 0 0 0 0 2.6167 -3.3042 0.0000 C 0 0 3 0 0 0 0 0 0 1.9042 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 4.7500 -3.4500 0.0000 C 0 0 0 0 0 0 0 0 0 3.8292 -4.1792 0.0000 O 0 0 0 0 0 0 0 0 0 4.5042 -4.0667 0.0000 O 0 0 0 0 0 0 0 0 0 3.3292 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0 1.9125 -2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 1.1917 -3.2917 0.0000 N 0 0 0 0 0 0 0 0 0 2.6125 -4.1292 0.0000 C 0 0 3 0 0 0 0 0 0 5.1292 -2.7250 0.0000 C 0 0 0 0 0 0 0 0 0 5.1792 -4.1417 0.0000 C 0 0 0 0 0 0 0 0 0 6.3917 -3.3792 0.0000 C 0 0 0 0 0 0 0 0 0 4.0417 -1.6542 0.0000 C 0 0 0 0 0 0 0 0 0 5.9542 -2.6917 0.0000 C 0 0 0 0 0 0 0 0 0 6.0042 -4.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0.4792 -2.8792 0.0000 O 0 0 0 0 0 0 0 0 0 7.2167 -3.3500 0.0000 O 0 0 0 0 0 0 0 0 0 1.8917 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 3.3250 -4.5417 0.0000 C 0 0 0 0 0 0 0 0 0 4.0375 -0.8292 0.0000 C 0 0 0 0 0 0 0 0 0 4.7542 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 7.6625 -4.0500 0.0000 C 0 0 0 0 0 0 0 0 0 5.4667 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 4.7417 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 5.4667 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 1 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 2 1 0 0 0 9 4 2 0 0 0 10 4 1 0 0 0 11 3 1 0 0 0 12 5 1 0 0 0 13 5 2 0 0 0 14 17 2 0 0 0 15 8 1 0 0 0 16 12 2 0 0 0 17 13 1 0 0 0 18 10 1 0 0 0 19 14 1 0 0 0 20 11 1 0 0 0 21 11 1 0 0 0 22 15 1 0 0 0 23 15 2 0 0 0 24 19 1 0 0 0 25 23 1 0 0 0 26 22 2 0 0 0 27 25 2 0 0 0 14 16 1 0 0 0 27 26 1 0 0 0 M END > 7.76955107862173 > 7.76955107862173 $$$$ 11280714592D 1 1.00000 0.00000 0 29 30 0 0 0 999 V2000 6.0917 -7.6875 0.0000 S 0 0 3 0 0 0 0 0 0 5.5667 -7.3875 0.0000 N 0 0 0 0 0 0 0 0 0 5.5667 -6.7792 0.0000 C 0 0 0 0 0 0 0 0 0 7.1375 -4.6667 0.0000 N 0 3 0 0 0 0 0 0 0 5.0500 -6.4792 0.0000 N 0 0 3 0 0 0 0 0 0 6.6042 -7.9792 0.0000 C 0 0 0 0 0 0 0 0 0 4.0000 -6.4792 0.0000 C 0 0 0 0 0 0 0 0 0 5.7875 -8.2042 0.0000 O 0 0 0 0 0 0 0 0 0 6.3917 -7.1542 0.0000 O 0 0 0 0 0 0 0 0 0 6.6167 -4.9667 0.0000 C 0 0 0 0 0 0 0 0 0 4.5167 -6.7792 0.0000 C 0 0 0 0 0 0 0 0 0 7.6625 -4.9667 0.0000 O 0 5 0 0 0 0 0 0 0 7.1375 -4.0625 0.0000 O 0 0 0 0 0 0 0 0 0 6.0917 -6.4792 0.0000 O 0 0 0 0 0 0 0 0 0 5.0500 -5.8750 0.0000 C 0 0 0 0 0 0 0 0 0 3.4750 -6.7792 0.0000 O 0 0 0 0 0 0 0 0 0 4.0000 -5.8750 0.0000 N 0 0 0 0 0 0 0 0 0 6.6042 -8.5792 0.0000 C 0 0 0 0 0 0 0 0 0 7.1250 -7.6792 0.0000 C 0 0 0 0 0 0 0 0 0 6.6167 -5.5750 0.0000 C 0 0 0 0 0 0 0 0 0 6.0875 -4.6667 0.0000 C 0 0 0 0 0 0 0 0 0 5.5667 -5.5750 0.0000 C 0 0 0 0 0 0 0 0 0 6.0917 -5.8750 0.0000 C 0 0 0 0 0 0 0 0 0 5.5667 -4.9667 0.0000 C 0 0 0 0 0 0 0 0 0 7.6417 -7.9792 0.0000 C 0 0 0 0 0 0 0 0 0 7.1250 -8.8750 0.0000 C 0 0 0 0 0 0 0 0 0 7.6417 -8.5792 0.0000 C 0 0 0 0 0 0 0 0 0 3.4750 -5.5750 0.0000 O 0 0 0 0 0 0 0 0 0 8.1667 -8.8750 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 10 1 0 0 0 5 3 1 0 0 0 6 1 1 0 0 0 7 11 1 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 21 1 0 0 0 11 5 1 0 0 0 12 4 1 0 0 0 13 4 2 0 0 0 14 3 2 0 0 0 15 5 1 0 0 0 16 7 2 0 0 0 17 7 1 0 0 0 18 6 2 0 0 0 19 6 1 0 0 0 20 23 1 0 0 0 21 24 2 0 0 0 22 15 1 0 0 0 23 22 2 0 0 0 24 22 1 0 0 0 25 19 2 0 0 0 26 18 1 0 0 0 27 25 1 0 0 0 28 17 1 0 0 0 29 27 1 0 0 0 26 27 2 0 0 0 20 10 2 0 0 0 M CHG 2 4 1 12 -1 M END > 7.92081875395237 > 7.92081875395237 $$$$ 11280714562D 1 1.00000 0.00000 0 32 33 0 1 0 999 V2000 2.9917 -3.5417 0.0000 S 0 0 3 0 0 0 0 0 0 3.7042 -3.9542 0.0000 N 0 0 3 0 0 0 0 0 0 4.4167 -3.5417 0.0000 C 0 0 2 0 0 0 0 0 0 5.1375 -3.9542 0.0000 C 0 0 0 0 0 0 0 0 0 2.9917 -2.7167 0.0000 C 0 0 0 0 0 0 0 0 0 2.2750 -3.1250 0.0000 O 0 0 0 0 0 0 0 0 0 2.4000 -4.1250 0.0000 O 0 0 0 0 0 0 0 0 0 3.7042 -4.7792 0.0000 C 0 0 0 0 0 0 0 0 0 5.1375 -4.7792 0.0000 O 0 0 0 0 0 0 0 0 0 5.8500 -3.5417 0.0000 N 0 0 0 0 0 0 0 0 0 4.4167 -2.7167 0.0000 C 0 0 0 0 0 0 0 0 0 2.2792 -2.3042 0.0000 C 0 0 0 0 0 0 0 0 0 3.7042 -2.3042 0.0000 C 0 0 0 0 0 0 0 0 0 2.9917 -1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 3.7042 -1.4750 0.0000 C 0 0 0 0 0 0 0 0 0 2.2792 -1.4750 0.0000 C 0 0 0 0 0 0 0 0 0 5.1375 -1.4792 0.0000 S 0 0 0 0 0 0 0 0 0 6.5667 -3.9542 0.0000 O 0 0 0 0 0 0 0 0 0 2.9875 -0.2375 0.0000 O 0 0 0 0 0 0 0 0 0 6.5667 -1.4792 0.0000 C 0 0 0 0 0 0 0 0 0 2.9917 -5.1917 0.0000 C 0 0 3 0 0 0 0 0 0 5.1375 -2.3042 0.0000 C 0 0 0 0 0 0 0 0 0 5.8500 -1.0667 0.0000 C 0 0 0 0 0 0 0 0 0 3.7042 0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 6.5625 -2.3042 0.0000 C 0 0 0 0 0 0 0 0 0 7.2750 -1.0667 0.0000 C 0 0 0 0 0 0 0 0 0 2.2792 -4.7792 0.0000 C 0 0 0 0 0 0 0 0 0 2.9917 -6.0167 0.0000 C 0 0 0 0 0 0 0 0 0 7.9875 -1.4750 0.0000 C 0 0 0 0 0 0 0 0 0 7.2750 -2.7167 0.0000 C 0 0 0 0 0 0 0 0 0 7.9917 -2.3042 0.0000 C 0 0 0 0 0 0 0 0 0 5.1292 -3.1292 0.0000 H 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 1 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 2 1 0 0 0 9 4 2 0 0 0 10 4 1 0 0 0 11 3 1 0 0 0 12 5 1 0 0 0 13 5 2 0 0 0 14 15 2 0 0 0 15 13 1 0 0 0 16 12 2 0 0 0 17 22 1 0 0 0 18 10 1 0 0 0 19 14 1 0 0 0 20 23 1 0 0 0 21 8 1 0 0 0 22 11 1 0 0 0 23 17 1 0 0 0 24 19 1 0 0 0 25 20 2 0 0 0 26 20 1 0 0 0 27 21 1 0 0 0 28 21 1 0 0 0 29 26 2 0 0 0 30 25 1 0 0 0 31 29 1 0 0 0 3 32 1 6 0 0 16 14 1 0 0 0 31 30 2 0 0 0 M END > 7.92081875395237 > 6.98296666070122 $$$$ 11280715072D 1 1.00000 0.00000 0 22 22 0 0 0 999 V2000 2.9750 -3.3167 0.0000 S 0 0 3 0 0 0 0 0 0 3.6875 -2.9042 0.0000 C 0 0 3 0 0 0 0 0 0 4.4042 -3.3042 0.0000 C 0 0 0 0 0 0 0 0 0 2.1500 -3.3542 0.0000 C 0 0 0 0 0 0 0 0 0 2.3792 -3.9042 0.0000 O 0 0 0 0 0 0 0 0 0 3.5542 -3.9042 0.0000 O 0 0 0 0 0 0 0 0 0 4.4125 -4.1292 0.0000 O 0 0 0 0 0 0 0 0 0 5.1167 -2.8917 0.0000 N 0 0 0 0 0 0 0 0 0 2.9667 -2.5042 0.0000 C 0 0 0 0 0 0 0 0 0 4.4000 -2.4875 0.0000 C 0 0 0 0 0 0 0 0 0 1.7667 -4.0792 0.0000 C 0 0 0 0 0 0 0 0 0 1.7042 -2.6542 0.0000 C 0 0 0 0 0 0 0 0 0 2.9625 -1.6750 0.0000 C 0 0 0 0 0 0 0 0 0 4.3917 -1.6625 0.0000 C 0 0 0 0 0 0 0 0 0 2.2417 -1.2667 0.0000 C 0 0 0 0 0 0 0 0 0 5.1042 -1.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0.5000 -3.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0.9417 -4.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0.8792 -2.6917 0.0000 C 0 0 0 0 0 0 0 0 0 5.8292 -3.2917 0.0000 O 0 0 0 0 0 0 0 0 0 -0.3250 -3.4542 0.0000 O 0 0 0 0 0 0 0 0 0 -0.7083 -4.1875 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 1 1 0 0 0 5 1 2 0 0 0 6 1 2 0 0 0 7 3 2 0 0 0 8 3 1 0 0 0 9 2 1 0 0 0 10 2 1 0 0 0 11 4 1 0 0 0 12 4 2 0 0 0 13 9 1 0 0 0 14 10 1 0 0 0 15 13 2 0 0 0 16 14 2 0 0 0 17 19 2 0 0 0 18 11 2 0 0 0 19 12 1 0 0 0 20 8 1 0 0 0 21 17 1 0 0 0 22 21 1 0 0 0 18 17 1 0 0 0 M END > 7.4089353929735 > 6.67571754470231 $$$$ Mrv0541 04051115152D 34 36 0 0 0 0 999 V2000 -1.8768 4.1913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5913 3.7788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5913 2.9538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8768 2.5413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1624 2.9538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1624 3.7788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8768 5.0163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1624 5.4288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8768 1.7163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5443 1.2314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2893 0.4467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4643 0.4467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2094 1.2314 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.9794 -0.2207 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.4945 -0.8881 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6468 -0.7056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3120 0.2642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3260 -0.8019 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6616 -0.0482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1766 0.6192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4820 0.0380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8109 -1.4693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6314 -1.3831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1163 -2.0505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7808 -2.8042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9603 -2.8905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4754 -2.2230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1624 6.2538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2657 -3.4717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0862 -3.3854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9301 -4.2253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5711 -4.0529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3916 -3.9666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2355 -4.8065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 7 1 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 8 7 1 0 0 0 0 8 28 1 0 0 0 0 9 13 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 15 14 1 0 0 0 0 16 14 2 0 0 0 0 17 14 2 0 0 0 0 18 15 1 1 0 0 0 18 19 1 0 0 0 0 18 22 1 0 0 0 0 19 21 2 0 0 0 0 19 20 1 0 0 0 0 22 23 1 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 29 25 1 0 0 0 0 26 25 1 0 0 0 0 26 27 1 0 0 0 0 29 30 1 0 0 0 0 29 31 2 0 0 0 0 32 30 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 M END > 9.72124639904717 > 5.3429441471429 $$$$ 11280715052D 1 1.00000 0.00000 0 36 38 0 0 0 999 V2000 4.0750 -5.7667 0.0000 S 0 0 3 0 0 0 0 0 0 3.2500 -5.7292 0.0000 N 0 0 3 0 0 0 0 0 0 1.9792 -6.4000 0.0000 C 0 0 0 0 0 0 0 0 0 2.8125 -6.4292 0.0000 C 0 0 0 0 0 0 0 0 0 3.1917 -7.1667 0.0000 C 0 0 0 0 0 0 0 0 0 1.5917 -5.6667 0.0000 C 0 0 0 0 0 0 0 0 0 4.9000 -5.7667 0.0000 C 0 0 0 0 0 0 0 0 0 1.5417 -7.1000 0.0000 C 0 0 0 0 0 0 0 0 0 4.5125 -5.0667 0.0000 O 0 0 0 0 0 0 0 0 0 4.4542 -6.4917 0.0000 O 0 0 0 0 0 0 0 0 0 1.9292 -7.8292 0.0000 C 0 0 0 0 0 0 0 0 0 2.8667 -5.0042 0.0000 C 0 0 0 0 0 0 0 0 0 2.7542 -7.8625 0.0000 C 0 0 0 0 0 0 0 0 0 2.0417 -4.9667 0.0000 O 0 0 0 0 0 0 0 0 0 0.7667 -5.6417 0.0000 N 0 0 0 0 0 0 0 0 0 5.3042 -6.4792 0.0000 C 0 0 0 0 0 0 0 0 0 5.3042 -5.0542 0.0000 C 0 0 0 0 0 0 0 0 0 1.4875 -8.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0.6625 -8.4917 0.0000 N 0 0 3 0 0 0 0 0 0 6.5417 -5.7625 0.0000 C 0 0 0 0 0 0 0 0 0 3.3042 -4.3042 0.0000 C 0 0 0 0 0 0 0 0 0 6.1292 -6.4750 0.0000 C 0 0 0 0 0 0 0 0 0 6.1250 -5.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0.3292 -6.3417 0.0000 O 0 0 0 0 0 0 0 0 0 4.0167 -7.2000 0.0000 C 0 0 0 0 0 0 0 0 0 7.3667 -5.7542 0.0000 O 0 0 0 0 0 0 0 0 0 0.2167 -9.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0.2792 -7.7625 0.0000 C 0 0 0 0 0 0 0 0 0 2.9167 -3.5792 0.0000 C 0 0 0 0 0 0 0 0 0 4.1292 -4.3417 0.0000 C 0 0 0 0 0 0 0 0 0 7.7792 -6.4750 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6083 -9.1542 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5458 -7.7292 0.0000 C 0 0 0 0 0 0 0 0 0 4.5667 -3.6417 0.0000 C 0 0 0 0 0 0 0 0 0 3.3542 -2.8792 0.0000 C 0 0 0 0 0 0 0 0 0 4.1875 -2.9125 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 4 1 0 0 0 4 2 1 0 0 0 5 4 2 0 0 0 6 3 1 0 0 0 7 1 1 0 0 0 8 3 2 0 0 0 9 1 2 0 0 0 10 1 2 0 0 0 11 13 2 0 0 0 12 2 1 0 0 0 13 5 1 0 0 0 14 6 2 0 0 0 15 6 1 0 0 0 16 7 2 0 0 0 17 7 1 0 0 0 18 11 1 0 0 0 19 18 1 0 0 0 20 23 1 0 0 0 21 12 1 0 0 0 22 16 1 0 0 0 23 17 2 0 0 0 24 15 1 0 0 0 25 5 1 0 0 0 26 20 1 0 0 0 27 19 1 0 0 0 28 19 1 0 0 0 29 21 1 0 0 0 30 21 2 0 0 0 31 26 1 0 0 0 32 27 1 0 0 0 33 28 1 0 0 0 34 30 1 0 0 0 35 29 2 0 0 0 36 34 2 0 0 0 22 20 2 0 0 0 8 11 1 0 0 0 35 36 1 0 0 0 M END > 6.94692155651658 > 5.97881070093006 $$$$ 11280715332D 1 1.00000 0.00000 0 32 34 0 1 0 999 V2000 5.2917 -2.7250 0.0000 S 0 0 3 0 0 0 0 0 0 5.5042 -3.5292 0.0000 N 0 0 3 0 0 0 0 0 0 4.9167 -4.1125 0.0000 C 0 0 1 0 0 0 0 0 0 4.1000 -3.9917 0.0000 C 0 0 0 0 0 0 0 0 0 6.2250 -3.9042 0.0000 C 0 0 0 0 0 0 0 0 0 6.0875 -4.7167 0.0000 C 0 0 0 0 0 0 0 0 0 5.2792 -4.8375 0.0000 C 0 0 0 0 0 0 0 0 0 6.1000 -2.5125 0.0000 C 0 0 0 0 0 0 0 0 0 6.6542 -5.3167 0.0000 N 0 0 0 0 0 0 0 0 0 5.0792 -1.9167 0.0000 O 0 0 0 0 0 0 0 0 0 4.4917 -2.9375 0.0000 O 0 0 0 0 0 0 0 0 0 3.7917 -3.2292 0.0000 O 0 0 0 0 0 0 0 0 0 7.4500 -5.1250 0.0000 O 0 0 0 0 0 0 0 0 0 3.5875 -4.6417 0.0000 N 0 0 0 0 0 0 0 0 0 8.0125 -5.7250 0.0000 C 0 0 3 0 0 0 0 0 0 6.3125 -1.7250 0.0000 C 0 0 0 0 0 0 0 0 0 6.6792 -3.0917 0.0000 C 0 0 0 0 0 0 0 0 0 8.4750 -1.8417 0.0000 O 0 0 0 0 0 0 0 0 0 7.6792 -2.0792 0.0000 C 0 0 0 0 0 0 0 0 0 9.0750 -2.4125 0.0000 C 0 0 0 0 0 0 0 0 0 10.2667 -3.5250 0.0000 C 0 0 0 0 0 0 0 0 0 7.1125 -1.5125 0.0000 C 0 0 0 0 0 0 0 0 0 7.4667 -2.8792 0.0000 C 0 0 0 0 0 0 0 0 0 10.8667 -4.0792 0.0000 F 0 0 0 0 0 0 0 0 0 2.7667 -4.5250 0.0000 O 0 0 0 0 0 0 0 0 0 9.8667 -2.1750 0.0000 C 0 0 0 0 0 0 0 0 0 8.8875 -3.2000 0.0000 C 0 0 0 0 0 0 0 0 0 9.4875 -3.7625 0.0000 C 0 0 0 0 0 0 0 0 0 10.4667 -2.7417 0.0000 C 0 0 0 0 0 0 0 0 0 7.4125 -6.2875 0.0000 C 0 0 0 0 0 0 0 0 0 8.6125 -5.1625 0.0000 C 0 0 0 0 0 0 0 0 0 8.5750 -6.3250 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 2 1 0 0 0 6 5 1 0 0 0 3 7 1 6 0 0 8 1 1 0 0 0 9 6 2 0 0 0 10 1 2 0 0 0 11 1 2 0 0 0 12 4 2 0 0 0 13 9 1 0 0 0 14 4 1 0 0 0 15 13 1 0 0 0 16 8 1 0 0 0 17 8 2 0 0 0 18 19 1 0 0 0 19 23 2 0 0 0 20 18 1 0 0 0 21 28 2 0 0 0 22 16 2 0 0 0 23 17 1 0 0 0 24 21 1 0 0 0 25 14 1 0 0 0 26 20 1 0 0 0 27 20 2 0 0 0 28 27 1 0 0 0 29 26 2 0 0 0 30 15 1 0 0 0 31 15 1 0 0 0 32 15 1 0 0 0 19 22 1 0 0 0 6 7 1 0 0 0 21 29 1 0 0 0 M END > 9.69897000433602 > 7.61978875828839 $$$$ 11280715432D 1 1.00000 0.00000 0 30 31 0 0 0 999 V2000 -0.8708 1.2958 0.0000 S 0 0 3 0 0 0 0 0 0 -0.8750 0.4708 0.0000 N 0 0 3 0 0 0 0 0 0 -1.6208 0.1208 0.0000 C 0 0 3 0 0 0 0 0 0 -2.2625 0.6458 0.0000 C 0 0 0 0 0 0 0 0 0 -0.4750 -1.3417 0.0000 N 0 0 3 0 0 0 0 0 0 -0.1208 -2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1333 0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 -1.8208 -0.6917 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0375 1.2958 0.0000 C 0 0 0 0 0 0 0 0 0 -1.6958 1.2958 0.0000 O 0 0 0 0 0 0 0 0 0 -0.8708 2.1333 0.0000 O 0 0 0 0 0 0 0 0 0 2.4417 -0.1417 0.0000 C 0 0 0 0 0 0 0 0 0 2.8542 -0.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0.0500 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3083 -1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5958 -2.7667 0.0000 O 0 0 0 0 0 0 0 0 0 -2.2708 1.4708 0.0000 O 0 0 0 0 0 0 0 0 0 -3.0125 0.2958 0.0000 N 0 0 0 0 0 0 0 0 0 0.3667 2.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0.3667 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0.7000 -2.1667 0.0000 C 0 0 3 0 0 0 0 0 0 1.6167 1.2958 0.0000 C 0 0 0 0 0 0 0 0 0 1.2000 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 1.2000 2.0208 0.0000 C 0 0 0 0 0 0 0 0 0 -3.6958 0.7583 0.0000 O 0 0 0 0 0 0 0 0 0 2.8625 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 2.4417 1.2958 0.0000 O 0 0 0 0 0 0 0 0 0 3.2667 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 1.0500 -2.9042 0.0000 C 0 0 0 0 0 0 0 0 0 1.1667 -1.4792 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 14 1 0 0 0 6 5 1 0 0 0 7 2 1 0 0 0 8 3 1 0 0 0 9 1 1 0 0 0 10 1 2 0 0 0 11 1 2 0 0 0 12 26 1 0 0 0 13 12 3 0 0 0 14 7 1 0 0 0 15 8 1 0 0 0 16 6 2 0 0 0 17 4 2 0 0 0 18 4 1 0 0 0 19 9 1 0 0 0 20 9 2 0 0 0 21 6 1 0 0 0 22 23 2 0 0 0 23 20 1 0 0 0 24 19 2 0 0 0 25 18 1 0 0 0 26 27 1 0 0 0 27 22 1 0 0 0 28 13 1 0 0 0 29 21 1 0 0 0 30 21 1 0 0 0 22 24 1 0 0 0 5 15 1 0 0 0 M END > 8.04575749056067 > 6.84771165561694 $$$$ 11280715162D 1 1.00000 0.00000 0 33 36 0 0 0 999 V2000 1.4917 -5.8125 0.0000 N 0 0 3 0 0 0 0 0 0 2.2917 -6.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0.9125 -6.3917 0.0000 C 0 0 0 0 0 0 0 0 0 1.1292 -7.1917 0.0000 C 0 0 0 0 0 0 0 0 0 2.5042 -6.8167 0.0000 N 0 0 0 0 0 0 0 0 0 1.9250 -7.4042 0.0000 C 0 0 0 0 0 0 0 0 0 1.2667 -5.0125 0.0000 C 0 0 0 0 0 0 0 0 0 2.2250 -3.0542 0.0000 C 0 0 0 0 0 0 0 0 0 1.6417 -3.6417 0.0000 C 0 0 3 0 0 0 0 0 0 2.8875 -5.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0.1125 -6.1792 0.0000 O 0 0 0 0 0 0 0 0 0 1.8542 -4.4250 0.0000 C 0 0 0 0 0 0 0 0 0 -2.1083 -3.3917 0.0000 C 0 0 0 0 0 0 0 0 0 3.0125 -3.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0.8542 -3.4292 0.0000 C 0 0 0 0 0 0 0 0 0 2.0042 -2.2542 0.0000 N 0 0 0 0 0 0 0 0 0 -2.9000 -3.1875 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5333 -2.8167 0.0000 C 0 0 0 0 0 0 0 0 0 -1.8875 -4.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0.2667 -4.0167 0.0000 O 0 0 0 0 0 0 0 0 0 -0.5208 -3.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0.5417 -7.7792 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7333 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1000 -4.4000 0.0000 C 0 0 0 0 0 0 0 0 0 1.2167 -2.0500 0.0000 O 0 0 0 0 0 0 0 0 0 2.1417 -8.2000 0.0000 C 0 0 0 0 0 0 0 0 0 -3.4833 -3.7750 0.0000 C 0 0 0 0 0 0 0 0 0 -3.1208 -2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0.7542 -8.5625 0.0000 C 0 0 0 0 0 0 0 0 0 1.5625 -8.7792 0.0000 C 0 0 0 0 0 0 0 0 0 -3.9125 -2.1917 0.0000 C 0 0 0 0 0 0 0 0 0 -4.2708 -3.5667 0.0000 C 0 0 0 0 0 0 0 0 0 -4.4958 -2.7792 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 3 1 0 0 0 5 2 1 0 0 0 6 4 2 0 0 0 7 1 1 0 0 0 8 9 1 0 0 0 9 12 1 0 0 0 10 2 2 0 0 0 11 3 2 0 0 0 12 7 1 0 0 0 13 19 1 0 0 0 14 8 2 0 0 0 15 9 1 0 0 0 16 8 1 0 0 0 17 13 1 0 0 0 18 23 1 0 0 0 19 24 2 0 0 0 20 15 1 0 0 0 21 20 1 0 0 0 22 4 1 0 0 0 23 21 2 0 0 0 24 21 1 0 0 0 25 16 1 0 0 0 26 6 1 0 0 0 27 17 1 0 0 0 28 17 2 0 0 0 29 22 2 0 0 0 30 29 1 0 0 0 31 28 1 0 0 0 32 27 2 0 0 0 33 31 2 0 0 0 6 5 1 0 0 0 30 26 2 0 0 0 18 13 2 0 0 0 32 33 1 0 0 0 M END > 7.18708664335714 > 5.54515513999149 $$$$ 11280714562D 1 1.00000 0.00000 0 26 27 0 1 0 999 V2000 5.5750 -3.6250 0.0000 S 0 0 3 0 0 0 0 0 0 6.3917 -3.6250 0.0000 N 0 0 0 0 0 0 0 0 0 6.8125 -2.9042 0.0000 C 0 0 1 0 0 0 0 0 0 7.6375 -2.9042 0.0000 C 0 0 0 0 0 0 0 0 0 4.7500 -3.6417 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1208 -3.6417 0.0000 N 0 0 0 0 0 0 0 0 0 5.5625 -4.4417 0.0000 O 0 0 0 0 0 0 0 0 0 5.5625 -2.8000 0.0000 O 0 0 0 0 0 0 0 0 0 -0.3250 -3.6417 0.0000 C 0 0 0 0 0 0 0 0 0 8.0500 -3.6125 0.0000 O 0 0 0 0 0 0 0 0 0 3.1042 -3.6667 0.0000 C 0 0 0 0 0 0 0 0 0 2.2750 -3.6792 0.0000 C 0 0 0 0 0 0 0 0 0 8.0375 -2.1875 0.0000 N 0 0 0 0 0 0 0 0 0 4.3542 -4.3542 0.0000 C 0 0 0 0 0 0 0 0 0 4.3167 -2.9292 0.0000 C 0 0 0 0 0 0 0 0 0 6.3917 -2.1917 0.0000 C 0 0 3 0 0 0 0 0 0 3.5042 -2.9500 0.0000 C 0 0 0 0 0 0 0 0 0 3.5167 -4.3750 0.0000 C 0 0 0 0 0 0 0 0 0 1.8542 -2.9667 0.0000 C 0 0 0 0 0 0 0 0 0 1.8792 -4.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0.6292 -3.7000 0.0000 C 0 0 0 0 0 0 0 0 0 1.0292 -2.9667 0.0000 C 0 0 0 0 0 0 0 0 0 1.0542 -4.4042 0.0000 C 0 0 0 0 0 0 0 0 0 8.8667 -2.1750 0.0000 O 0 0 0 0 0 0 0 0 0 5.6792 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 6.8042 -1.4792 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 1 1 0 0 0 6 9 3 0 0 0 7 1 2 0 0 0 8 1 2 0 0 0 9 21 1 0 0 0 10 4 2 0 0 0 11 17 1 0 0 0 12 11 1 0 0 0 13 4 1 0 0 0 14 5 2 0 0 0 15 5 1 0 0 0 3 16 1 6 0 0 17 15 2 0 0 0 18 14 1 0 0 0 19 12 1 0 0 0 20 12 2 0 0 0 21 23 2 0 0 0 22 19 2 0 0 0 23 20 1 0 0 0 24 13 1 0 0 0 25 16 1 0 0 0 26 16 1 0 0 0 18 11 2 0 0 0 21 22 1 0 0 0 M END > 9 > 6.76955107862173 $$$$ 11280715302D 1 1.00000 0.00000 0 26 27 0 1 0 999 V2000 5.4167 -4.9042 0.0000 S 0 0 3 0 0 0 0 0 0 5.4250 -5.7292 0.0000 N 0 0 3 0 0 0 0 0 0 4.7500 -6.2167 0.0000 C 0 0 1 0 0 0 0 0 0 3.9542 -5.9542 0.0000 C 0 0 0 0 0 0 0 0 0 4.5625 -7.0167 0.0000 C 0 0 3 0 0 0 0 0 0 5.4042 -4.0667 0.0000 C 0 0 0 0 0 0 0 0 0 4.5917 -4.8917 0.0000 O 0 0 0 0 0 0 0 0 0 6.2500 -4.9042 0.0000 O 0 0 0 0 0 0 0 0 0 4.9375 -7.7542 0.0000 S 0 0 0 0 0 0 0 0 0 3.7792 -5.1417 0.0000 O 0 0 0 0 0 0 0 0 0 3.3417 -6.5125 0.0000 N 0 0 0 0 0 0 0 0 0 4.6792 -3.6667 0.0000 C 0 0 0 0 0 0 0 0 0 6.1292 -3.6417 0.0000 C 0 0 0 0 0 0 0 0 0 6.2417 -5.7792 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -2.4125 0.0000 C 0 0 0 0 0 0 0 0 0 4.6750 -2.8375 0.0000 C 0 0 0 0 0 0 0 0 0 6.1167 -2.8042 0.0000 C 0 0 0 0 0 0 0 0 0 2.5542 -6.2667 0.0000 O 0 0 0 0 0 0 0 0 0 5.3750 -1.5792 0.0000 O 0 0 0 0 0 0 0 0 0 3.8417 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 4.1417 -7.7250 0.0000 C 0 0 0 0 0 0 0 0 0 5.6875 -8.0875 0.0000 C 0 0 0 0 0 0 0 0 0 6.0792 -1.1417 0.0000 C 0 0 0 0 0 0 0 0 0 6.8292 -6.3500 0.0000 C 0 0 0 0 0 0 0 0 0 6.4667 -7.8417 0.0000 C 0 0 0 0 0 0 0 0 0 6.9167 -7.1667 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 3 4 1 6 0 0 5 3 1 0 0 0 6 1 1 0 0 0 7 1 2 0 0 0 8 1 2 0 0 0 9 5 1 0 0 0 10 4 2 0 0 0 11 4 1 0 0 0 12 6 1 0 0 0 13 6 2 0 0 0 14 2 1 0 0 0 15 17 2 0 0 0 16 12 2 0 0 0 17 13 1 0 0 0 18 11 1 0 0 0 19 15 1 0 0 0 20 5 1 0 0 0 21 5 1 0 0 0 22 9 1 0 0 0 23 19 1 0 0 0 24 14 1 0 0 0 25 26 1 0 0 0 26 24 1 0 0 0 16 15 1 0 0 0 25 22 1 0 0 0 M END > 9 > 8.52287874528034 $$$$ 11280715142D 1 1.00000 0.00000 0 32 33 0 0 0 999 V2000 2.8917 -0.2375 0.0000 S 0 0 3 0 0 0 0 0 0 2.1750 -0.6625 0.0000 N 0 0 3 0 0 0 0 0 0 2.1875 -1.4917 0.0000 C 0 0 3 0 0 0 0 0 0 1.4792 -1.9042 0.0000 C 0 0 0 0 0 0 0 0 0 3.6167 0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 2.9042 -1.9000 0.0000 C 0 0 3 0 0 0 0 0 0 2.4667 0.4833 0.0000 O 0 0 0 0 0 0 0 0 0 3.3167 -0.9542 0.0000 O 0 0 0 0 0 0 0 0 0 6.4750 2.6833 0.0000 C 0 0 0 0 0 0 0 0 0 7.1917 3.0958 0.0000 C 0 0 0 0 0 0 0 0 0 3.6167 -2.3125 0.0000 S 0 0 0 0 0 0 0 0 0 1.4875 -2.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0.7625 -1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 5.7542 -3.5375 0.0000 N 0 0 0 0 0 0 0 0 0 4.3292 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 3.6167 1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 4.3375 -3.5417 0.0000 C 0 0 0 0 0 0 0 0 0 3.6167 -3.1375 0.0000 C 0 0 0 0 0 0 0 0 0 1.4500 -0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 5.0417 1.0208 0.0000 C 0 0 0 0 0 0 0 0 0 5.0417 0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 4.3292 1.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0.0417 -1.9125 0.0000 O 0 0 0 0 0 0 0 0 0 5.0417 -3.1292 0.0000 C 0 0 0 0 0 0 0 0 0 5.7625 2.2708 0.0000 C 0 0 0 0 0 0 0 0 0 5.7667 1.4375 0.0000 O 0 0 0 0 0 0 0 0 0 7.9167 3.5208 0.0000 C 0 0 0 0 0 0 0 0 0 2.9042 -2.7250 0.0000 C 0 0 0 0 0 0 0 0 0 3.6167 -1.4875 0.0000 C 0 0 0 0 0 0 0 0 0 5.7625 -4.3667 0.0000 C 0 0 0 0 0 0 0 0 0 4.3292 -4.3667 0.0000 C 0 0 0 0 0 0 0 0 0 5.0500 -4.7792 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 1 1 0 0 0 6 3 1 0 0 0 7 1 2 0 0 0 8 1 2 0 0 0 9 25 1 0 0 0 10 9 3 0 0 0 11 6 1 0 0 0 12 4 2 0 0 0 13 4 1 0 0 0 14 24 2 0 0 0 15 5 1 0 0 0 16 5 2 0 0 0 17 18 1 0 0 0 18 11 1 0 0 0 19 2 1 0 0 0 20 22 2 0 0 0 21 15 2 0 0 0 22 16 1 0 0 0 23 13 1 0 0 0 24 17 1 0 0 0 25 26 1 0 0 0 26 20 1 0 0 0 27 10 1 0 0 0 28 6 1 0 0 0 29 6 1 0 0 0 30 32 2 0 0 0 31 17 2 0 0 0 32 31 1 0 0 0 20 21 1 0 0 0 30 14 1 0 0 0 M END > 8.69897000433602 > 8.04575749056067 $$$$ SciTegic06141115222D 21 21 0 0 0 0 999 V2000 6.5755 -4.2198 0.0000 C 0 0 6.5729 -3.3883 0.0000 C 0 0 5.8525 -2.9766 0.0000 C 0 0 5.1343 -3.3953 0.0000 C 0 0 5.1411 -4.2301 0.0000 C 0 0 5.8620 -4.6380 0.0000 C 0 0 7.2956 -4.6310 0.0000 O 0 0 8.0117 -4.2129 0.0000 C 0 0 8.7318 -4.6239 0.0000 C 0 0 9.4549 -5.0357 0.0000 C 0 0 10.1771 -5.4470 0.0000 C 0 0 4.4137 -2.9853 0.0000 S 0 3 3.6982 -3.4043 0.0000 C 0 0 2.9776 -2.9941 0.0000 C 0 0 2.2621 -3.4131 0.0000 N 0 0 2.9725 -2.1650 0.0000 O 0 0 1.5414 -3.0031 0.0000 O 0 0 3.7034 -4.2335 0.0000 C 0 0 4.4162 -2.1568 0.0000 O 0 5 2.9879 -4.6525 0.0000 C 0 0 4.4240 -4.6436 0.0000 C 0 0 2 3 1 0 10 11 1 0 5 6 2 0 4 12 1 0 6 1 1 0 12 13 1 0 1 2 2 0 13 14 1 0 1 7 1 0 14 15 1 0 3 4 2 0 14 16 2 0 7 8 1 0 15 17 1 0 13 18 1 0 8 9 1 0 12 19 1 0 4 5 1 0 18 20 1 0 9 10 3 0 18 21 1 0 M CHG 2 12 1 19 -1 M END > 6.66554624884907 > 5.18842499412941 $$$$ 11280715072D 1 1.00000 0.00000 0 40 42 0 1 0 999 V2000 5.3792 -2.5917 0.0000 N 0 0 0 0 0 0 0 0 0 4.6667 -3.0125 0.0000 C 0 0 0 0 0 0 0 0 0 2.5250 -2.6125 0.0000 P 0 0 3 0 0 0 0 0 0 3.9500 -2.6042 0.0000 C 0 0 3 0 0 0 0 0 0 6.0917 -3.0042 0.0000 C 0 0 2 0 0 0 0 0 0 6.8042 -2.5875 0.0000 C 0 0 0 0 0 0 0 0 0 3.2375 -3.0167 0.0000 C 0 0 0 0 0 0 0 0 0 6.1000 -3.8292 0.0000 C 0 0 3 0 0 0 0 0 0 2.5167 -1.7875 0.0000 O 0 0 0 0 0 0 0 0 0 4.6667 -3.8375 0.0000 O 0 0 0 0 0 0 0 0 0 3.9417 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 6.8042 -1.7625 0.0000 O 0 0 0 0 0 0 0 0 0 1.8125 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 7.5250 -3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 2.5167 -3.4375 0.0000 O 0 0 0 0 0 0 0 0 0 1.0917 -2.6167 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3333 -1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 4.6417 1.1083 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0500 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 4.6542 -0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 4.6542 -1.3625 0.0000 C 0 0 0 0 0 0 0 0 0 4.6417 1.9333 0.0000 Cl 0 0 0 0 0 0 0 0 0 3.9292 0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 5.3625 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3333 -2.6250 0.0000 C 0 0 0 0 0 0 0 0 0 1.0875 -1.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0.3667 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0.3792 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 3.9417 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 5.3667 -0.1250 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7625 -1.8042 0.0000 C 0 0 0 0 0 0 0 0 0 5.2750 -3.8250 0.0000 C 0 0 0 0 0 0 0 0 0 6.9250 -3.8292 0.0000 C 0 0 0 0 0 0 0 0 0 6.1125 -4.6542 0.0000 C 0 0 0 0 0 0 0 0 0 8.2375 -2.5792 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7625 -2.6375 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4833 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4833 -3.0500 0.0000 C 0 0 0 0 0 0 0 0 0 -3.1958 -1.8125 0.0000 C 0 0 0 0 0 0 0 0 0 -3.1958 -2.6375 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 7 1 0 0 0 4 2 1 0 0 0 5 1 1 0 0 0 6 5 1 0 0 0 7 4 1 0 0 0 5 8 1 6 0 0 9 3 2 0 0 0 10 2 2 0 0 0 4 11 1 0 0 0 12 6 2 0 0 0 13 3 1 0 0 0 14 6 1 0 0 0 15 3 1 0 0 0 16 13 1 0 0 0 17 25 2 0 0 0 18 24 2 0 0 0 19 17 1 0 0 0 20 21 1 0 0 0 21 11 1 0 0 0 22 18 1 0 0 0 23 29 2 0 0 0 24 30 1 0 0 0 25 28 1 0 0 0 26 16 1 0 0 0 27 26 2 0 0 0 28 16 2 0 0 0 29 20 1 0 0 0 30 20 2 0 0 0 31 19 1 0 0 0 32 8 1 0 0 0 33 8 1 0 0 0 34 8 1 0 0 0 35 14 1 0 0 0 36 31 1 0 0 0 37 31 2 0 0 0 38 36 2 0 0 0 39 37 1 0 0 0 40 39 2 0 0 0 18 23 1 0 0 0 17 27 1 0 0 0 40 38 1 0 0 0 M END > 8.08092190762393 > 5.95860731484178 $$$$ 11280715292D 1 1.00000 0.00000 0 24 25 0 1 0 999 V2000 7.3042 -8.3625 0.0000 S 0 0 3 0 0 0 0 0 0 7.3042 -9.1875 0.0000 N 0 0 3 0 0 0 0 0 0 6.6375 -9.6667 0.0000 C 0 0 1 0 0 0 0 0 0 5.8500 -9.4167 0.0000 C 0 0 0 0 0 0 0 0 0 6.6042 -10.5042 0.0000 C 0 0 3 0 0 0 0 0 0 7.2917 -7.5375 0.0000 C 0 0 0 0 0 0 0 0 0 6.4792 -8.3542 0.0000 O 0 0 0 0 0 0 0 0 0 8.1292 -8.3625 0.0000 O 0 0 0 0 0 0 0 0 0 7.2292 -11.0417 0.0000 S 0 0 0 0 0 0 0 0 0 5.6750 -8.6125 0.0000 O 0 0 0 0 0 0 0 0 0 5.2417 -9.9667 0.0000 N 0 0 0 0 0 0 0 0 0 8.1125 -9.4042 0.0000 C 0 0 0 0 0 0 0 0 0 8.0042 -7.1167 0.0000 C 0 0 0 0 0 0 0 0 0 6.5667 -7.1417 0.0000 C 0 0 0 0 0 0 0 0 0 7.2750 -5.8875 0.0000 C 0 0 0 0 0 0 0 0 0 6.5667 -6.3167 0.0000 C 0 0 0 0 0 0 0 0 0 7.9917 -6.2917 0.0000 C 0 0 0 0 0 0 0 0 0 4.4542 -9.7167 0.0000 O 0 0 0 0 0 0 0 0 0 8.4417 -10.1625 0.0000 C 0 0 0 0 0 0 0 0 0 8.0500 -10.8875 0.0000 C 0 0 0 0 0 0 0 0 0 7.2542 -5.0625 0.0000 O 0 0 0 0 0 0 0 0 0 5.7917 -10.2875 0.0000 C 0 0 0 0 0 0 0 0 0 6.1875 -11.2167 0.0000 C 0 0 0 0 0 0 0 0 0 7.9625 -4.6292 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 3 4 1 6 0 0 5 3 1 0 0 0 6 1 1 0 0 0 7 1 2 0 0 0 8 1 2 0 0 0 9 5 1 0 0 0 10 4 2 0 0 0 11 4 1 0 0 0 12 2 1 0 0 0 13 6 2 0 0 0 14 6 1 0 0 0 15 16 1 0 0 0 16 14 2 0 0 0 17 13 1 0 0 0 18 11 1 0 0 0 19 12 1 0 0 0 20 19 1 0 0 0 21 15 1 0 0 0 22 5 1 0 0 0 23 5 1 0 0 0 24 21 1 0 0 0 15 17 2 0 0 0 20 9 1 0 0 0 M END > 9.04575749056067 > 9.09691001300806 $$$$ 11280715312D 1 1.00000 0.00000 0 28 29 0 1 0 999 V2000 3.7292 -2.0625 0.0000 S 0 0 3 0 0 0 0 0 0 3.7292 -2.6625 0.0000 N 0 0 3 0 0 0 0 0 0 3.2500 -3.0125 0.0000 C 0 0 1 0 0 0 0 0 0 2.6792 -2.8292 0.0000 C 0 0 0 0 0 0 0 0 0 4.2167 -3.0125 0.0000 C 0 0 0 0 0 0 0 0 0 3.4292 -3.5875 0.0000 C 0 0 0 0 0 0 0 0 0 4.2542 -1.7625 0.0000 C 0 0 0 0 0 0 0 0 0 4.0292 -3.5875 0.0000 C 0 0 2 0 0 0 0 0 0 3.7250 -1.4625 0.0000 O 0 0 0 0 0 0 0 0 0 3.1500 -1.9042 0.0000 O 0 0 0 0 0 0 0 0 0 4.3875 -4.0667 0.0000 N 0 0 0 0 0 0 0 0 0 4.9792 -4.0042 0.0000 C 0 0 0 0 0 0 0 0 0 2.5542 -2.2417 0.0000 O 0 0 0 0 0 0 0 0 0 2.2292 -3.2292 0.0000 N 0 0 0 0 0 0 0 0 0 5.2417 -3.4667 0.0000 O 0 0 0 0 0 0 0 0 0 4.2542 -1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 4.7750 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 5.2917 -1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 5.2917 -1.7625 0.0000 C 0 0 0 0 0 0 0 0 0 4.7667 -0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 1.6625 -3.0417 0.0000 O 0 0 0 0 0 0 0 0 0 5.8125 -0.8625 0.0000 O 0 0 0 0 0 0 0 0 0 5.3375 -4.4917 0.0000 C 0 0 0 0 0 0 0 0 0 5.9292 -4.4292 0.0000 O 0 0 0 0 0 0 0 0 0 6.3292 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 6.2875 -4.9167 0.0000 C 0 0 0 0 0 0 0 0 0 6.8542 -0.8542 0.0000 C 0 0 0 0 0 0 0 0 0 7.3667 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 2 1 0 0 0 3 6 1 6 0 0 7 1 1 0 0 0 8 5 1 0 0 0 9 1 2 0 0 0 10 1 2 0 0 0 8 11 1 1 0 0 12 11 1 0 0 0 13 4 2 0 0 0 14 4 1 0 0 0 15 12 2 0 0 0 16 7 1 0 0 0 17 7 2 0 0 0 18 19 2 0 0 0 19 17 1 0 0 0 20 16 2 0 0 0 21 14 1 0 0 0 22 18 1 0 0 0 23 12 1 0 0 0 24 23 1 0 0 0 25 22 1 0 0 0 26 24 1 0 0 0 27 25 1 0 0 0 28 27 1 0 0 0 20 18 1 0 0 0 8 6 1 0 0 0 M END > 8.52287874528034 > 6.30102999566398 $$$$ 11280715142D 1 1.00000 0.00000 0 31 33 0 0 0 999 V2000 6.6750 -5.2792 0.0000 S 0 0 3 0 0 0 0 0 0 6.3792 -6.0625 0.0000 N 0 0 3 0 0 0 0 0 0 5.5667 -6.1250 0.0000 C 0 0 3 0 0 0 0 0 0 5.3417 -7.5917 0.0000 N 0 0 3 0 0 0 0 0 0 5.1042 -6.8042 0.0000 C 0 0 0 0 0 0 0 0 0 6.9500 -6.6625 0.0000 C 0 0 0 0 0 0 0 0 0 5.1542 -5.4000 0.0000 C 0 0 0 0 0 0 0 0 0 6.1167 -7.8917 0.0000 C 0 0 0 0 0 0 0 0 0 6.8292 -7.4792 0.0000 C 0 0 0 0 0 0 0 0 0 4.7292 -8.1417 0.0000 C 0 0 0 0 0 0 0 0 0 6.9625 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 7.5750 -5.0875 0.0000 O 0 0 0 0 0 0 0 0 0 6.0792 -4.4917 0.0000 O 0 0 0 0 0 0 0 0 0 5.5792 -4.6792 0.0000 O 0 0 0 0 0 0 0 0 0 3.9500 -7.8917 0.0000 O 0 0 0 0 0 0 0 0 0 4.3292 -5.3917 0.0000 N 0 0 0 0 0 0 0 0 0 7.7667 -4.3625 0.0000 C 0 0 0 0 0 0 0 0 0 6.4292 -3.8667 0.0000 C 0 0 0 0 0 0 0 0 0 7.5292 -2.9542 0.0000 C 0 0 0 0 0 0 0 0 0 6.7167 -3.0917 0.0000 C 0 0 0 0 0 0 0 0 0 8.0542 -3.5917 0.0000 C 0 0 0 0 0 0 0 0 0 3.9167 -4.6792 0.0000 O 0 0 0 0 0 0 0 0 0 4.9042 -8.9500 0.0000 C 0 0 0 0 0 0 0 0 0 7.5417 -7.8917 0.0000 C 0 0 0 0 0 0 0 0 0 6.1167 -8.7250 0.0000 C 0 0 0 0 0 0 0 0 0 7.8125 -2.1667 0.0000 O 0 0 0 0 0 0 0 0 0 5.6917 -9.2042 0.0000 O 0 0 0 0 0 0 0 0 0 7.2792 -1.5375 0.0000 C 0 0 0 0 0 0 0 0 0 5.8667 -10.0042 0.0000 C 0 0 0 0 0 0 0 0 0 7.5417 -8.7250 0.0000 C 0 0 0 0 0 0 0 0 0 6.8292 -9.1375 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 5 1 0 0 0 5 3 1 0 0 0 6 2 1 0 0 0 7 3 1 0 0 0 8 9 1 0 0 0 9 6 1 0 0 0 10 4 1 0 0 0 11 1 1 0 0 0 12 1 2 0 0 0 13 1 2 0 0 0 14 7 2 0 0 0 15 10 2 0 0 0 16 7 1 0 0 0 17 11 2 0 0 0 18 11 1 0 0 0 19 20 1 0 0 0 20 18 2 0 0 0 21 17 1 0 0 0 22 16 1 0 0 0 23 10 1 0 0 0 24 9 2 0 0 0 25 8 2 0 0 0 26 19 1 0 0 0 27 23 1 0 0 0 28 26 1 0 0 0 29 27 1 0 0 0 30 24 1 0 0 0 31 30 2 0 0 0 19 21 2 0 0 0 4 8 1 0 0 0 31 25 1 0 0 0 M END > 8.69897000433602 > 7.46852108295774 $$$$ 11280715072D 1 1.00000 0.00000 0 29 30 0 1 0 999 V2000 -1.9708 -0.7625 0.0000 N 0 0 3 0 0 0 0 0 0 -2.7875 -0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 -1.6458 -1.5167 0.0000 C 0 0 0 0 0 0 0 0 0 -2.9625 -1.6417 0.0000 N 0 0 3 0 0 0 0 0 0 -2.2583 -2.0625 0.0000 C 0 0 3 0 0 0 0 0 0 -1.2583 0.4750 0.0000 C 0 0 1 0 0 0 0 0 0 -0.5458 0.8875 0.0000 C 0 0 2 0 0 0 0 0 0 0.1667 0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 -1.2583 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0.8875 0.8875 0.0000 N 0 0 3 0 0 0 0 0 0 -1.9708 0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 -3.3375 -0.2292 0.0000 O 0 0 0 0 0 0 0 0 0 -0.8375 -1.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0.1667 -0.3500 0.0000 O 0 0 0 0 0 0 0 0 0 -0.5458 1.7125 0.0000 C 0 0 0 0 0 0 0 0 0 -1.9708 1.7125 0.0000 O 0 0 0 0 0 0 0 0 0 -2.6833 0.4750 0.0000 N 0 0 0 0 0 0 0 0 0 -3.7208 -1.9667 0.0000 C 0 0 0 0 0 0 0 0 0 -2.1833 -2.8792 0.0000 C 0 0 0 0 0 0 0 0 0 -1.6750 -2.6417 0.0000 C 0 0 0 0 0 0 0 0 0 -3.4833 0.2625 0.0000 O 0 0 0 0 0 0 0 0 0 1.6000 0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0.8792 1.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0.1667 2.1250 0.0000 C 0 0 3 0 0 0 0 0 0 -0.0458 2.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0.8792 2.5458 0.0000 C 0 0 0 0 0 0 0 0 0 1.6042 2.1208 0.0000 C 0 0 0 0 0 0 0 0 0 2.3125 0.8833 0.0000 C 0 0 0 0 0 0 0 0 0 2.3167 1.7083 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 2 1 0 0 0 5 3 1 0 0 0 6 9 1 1 0 0 7 6 1 0 0 0 8 7 1 0 0 0 9 1 1 0 0 0 10 8 1 0 0 0 11 6 1 0 0 0 12 2 2 0 0 0 13 3 2 0 0 0 14 8 2 0 0 0 7 15 1 1 0 0 16 11 2 0 0 0 17 11 1 0 0 0 18 4 1 0 0 0 19 5 1 0 0 0 20 5 1 0 0 0 21 17 1 0 0 0 22 10 1 0 0 0 23 10 1 0 0 0 24 15 1 0 0 0 25 24 1 0 0 0 26 24 1 0 0 0 27 23 1 0 0 0 28 22 1 0 0 0 29 27 1 0 0 0 4 5 1 0 0 0 29 28 1 0 0 0 M END > 7.99567862621736 > 7.99567862621736 $$$$ 11280715072D 1 1.00000 0.00000 0 40 42 0 1 0 999 V2000 5.3792 -2.5917 0.0000 N 0 0 0 0 0 0 0 0 0 4.6667 -3.0125 0.0000 C 0 0 0 0 0 0 0 0 0 2.5250 -2.6125 0.0000 P 0 0 3 0 0 0 0 0 0 3.9500 -2.6042 0.0000 C 0 0 3 0 0 0 0 0 0 6.0917 -3.0042 0.0000 C 0 0 2 0 0 0 0 0 0 6.8042 -2.5875 0.0000 C 0 0 0 0 0 0 0 0 0 3.2375 -3.0167 0.0000 C 0 0 0 0 0 0 0 0 0 6.1000 -3.8292 0.0000 C 0 0 3 0 0 0 0 0 0 2.5167 -1.7875 0.0000 O 0 0 0 0 0 0 0 0 0 4.6667 -3.8375 0.0000 O 0 0 0 0 0 0 0 0 0 3.9417 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 6.8042 -1.7625 0.0000 O 0 0 0 0 0 0 0 0 0 1.8125 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 7.5250 -3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 2.5167 -3.4375 0.0000 O 0 0 0 0 0 0 0 0 0 1.0917 -2.6167 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3333 -1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0500 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 4.6542 -0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 4.6542 -1.3625 0.0000 C 0 0 0 0 0 0 0 0 0 4.6417 1.1083 0.0000 C 0 0 0 0 0 0 0 0 0 1.0875 -1.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0.3667 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0.3792 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3333 -2.6250 0.0000 C 0 0 0 0 0 0 0 0 0 5.3667 -0.1250 0.0000 C 0 0 0 0 0 0 0 0 0 3.9417 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 3.9292 0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 5.3625 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7625 -1.8042 0.0000 C 0 0 0 0 0 0 0 0 0 6.1125 -4.6542 0.0000 C 0 0 0 0 0 0 0 0 0 5.2750 -3.8250 0.0000 C 0 0 0 0 0 0 0 0 0 6.9250 -3.8292 0.0000 C 0 0 0 0 0 0 0 0 0 8.2375 -2.5792 0.0000 C 0 0 0 0 0 0 0 0 0 4.6417 1.9333 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7625 -2.6375 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4833 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4833 -3.0500 0.0000 C 0 0 0 0 0 0 0 0 0 -3.1958 -1.8125 0.0000 C 0 0 0 0 0 0 0 0 0 -3.1958 -2.6375 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 7 1 0 0 0 4 2 1 0 0 0 5 1 1 0 0 0 6 5 1 0 0 0 7 4 1 0 0 0 5 8 1 6 0 0 9 3 2 0 0 0 10 2 2 0 0 0 4 11 1 0 0 0 12 6 2 0 0 0 13 3 1 0 0 0 14 6 1 0 0 0 15 3 1 0 0 0 16 13 1 0 0 0 17 25 2 0 0 0 18 17 1 0 0 0 19 20 1 0 0 0 20 11 1 0 0 0 21 28 1 0 0 0 22 16 1 0 0 0 23 22 2 0 0 0 24 16 2 0 0 0 25 24 1 0 0 0 26 19 2 0 0 0 27 19 1 0 0 0 28 27 2 0 0 0 29 26 1 0 0 0 30 18 1 0 0 0 31 8 1 0 0 0 32 8 1 0 0 0 33 8 1 0 0 0 34 14 1 0 0 0 35 21 1 0 0 0 36 30 1 0 0 0 37 30 2 0 0 0 38 36 2 0 0 0 39 37 1 0 0 0 40 39 2 0 0 0 21 29 2 0 0 0 17 23 1 0 0 0 40 38 1 0 0 0 M END > 8.11350927482752 > 6.20065945054642 $$$$ 11280714562D 1 1.00000 0.00000 0 25 26 0 1 0 999 V2000 2.7125 -1.1250 0.0000 S 0 0 3 0 0 0 0 0 0 3.3125 -1.1250 0.0000 N 0 0 0 0 0 0 0 0 0 3.6042 -0.6042 0.0000 C 0 0 2 0 0 0 0 0 0 4.2042 -0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0.0250 -1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0.3167 -1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 2.1125 -1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 2.7042 -0.5250 0.0000 O 0 0 0 0 0 0 0 0 0 2.7042 -1.7250 0.0000 O 0 0 0 0 0 0 0 0 0 -0.5750 -1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0.0042 -0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0.9167 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 4.5125 -1.1167 0.0000 O 0 0 0 0 0 0 0 0 0 1.8000 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 1.8167 -1.6625 0.0000 C 0 0 0 0 0 0 0 0 0 1.2042 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 1.2167 -1.6667 0.0000 C 0 0 0 0 0 0 0 0 0 3.3042 -0.0792 0.0000 C 0 0 3 0 0 0 0 0 0 -0.8833 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0.3167 -2.2042 0.0000 F 0 0 0 0 0 0 0 0 0 4.5042 -0.0792 0.0000 O 0 0 0 0 0 0 0 0 0 -0.5958 -0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 -1.4833 -1.1792 0.0000 Br 0 0 0 0 0 0 0 0 0 3.6042 0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 2.7875 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 6 2 0 0 0 6 12 1 0 0 0 7 1 1 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 5 1 0 0 0 11 6 1 0 0 0 12 17 2 0 0 0 13 4 2 0 0 0 14 7 1 0 0 0 15 7 2 0 0 0 16 14 2 0 0 0 17 15 1 0 0 0 3 18 1 1 0 0 19 22 1 0 0 0 20 5 1 0 0 0 21 4 1 0 0 0 22 11 2 0 0 0 23 19 1 0 0 0 24 18 1 0 0 0 25 18 1 0 0 0 12 16 1 0 0 0 10 19 2 0 0 0 M END > 8.15490195998574 > 5.44369749923271 $$$$ 11280715332D 1 1.00000 0.00000 0 25 26 0 1 0 999 V2000 5.1667 -3.1167 0.0000 S 0 0 3 0 0 0 0 0 0 5.4542 -3.8917 0.0000 N 0 0 3 0 0 0 0 0 0 4.9292 -4.5292 0.0000 C 0 0 1 0 0 0 0 0 0 4.1042 -4.4792 0.0000 C 0 0 0 0 0 0 0 0 0 6.2167 -4.2042 0.0000 C 0 0 0 0 0 0 0 0 0 6.1625 -5.0292 0.0000 C 0 0 0 0 0 0 0 0 0 5.3667 -5.2167 0.0000 C 0 0 0 0 0 0 0 0 0 5.9500 -2.8292 0.0000 C 0 0 0 0 0 0 0 0 0 4.8792 -2.3375 0.0000 O 0 0 0 0 0 0 0 0 0 4.3917 -3.4042 0.0000 O 0 0 0 0 0 0 0 0 0 6.7875 -5.5667 0.0000 N 0 0 0 0 0 0 0 0 0 3.7292 -3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 3.6500 -5.1792 0.0000 N 0 0 0 0 0 0 0 0 0 6.5792 -3.3542 0.0000 C 0 0 0 0 0 0 0 0 0 6.0917 -2.0167 0.0000 C 0 0 0 0 0 0 0 0 0 7.4917 -2.2625 0.0000 C 0 0 0 0 0 0 0 0 0 7.5625 -5.2917 0.0000 O 0 0 0 0 0 0 0 0 0 6.8625 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 7.3500 -3.0667 0.0000 C 0 0 0 0 0 0 0 0 0 2.8250 -5.1292 0.0000 O 0 0 0 0 0 0 0 0 0 8.2792 -1.9792 0.0000 O 0 0 0 0 0 0 0 0 0 8.9125 -2.5125 0.0000 C 0 0 0 0 0 0 0 0 0 9.6875 -2.2292 0.0000 C 0 0 0 0 0 0 0 0 0 10.3167 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 11.0875 -2.4917 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 2 1 0 0 0 6 5 1 0 0 0 3 7 1 6 0 0 8 1 1 0 0 0 9 1 2 0 0 0 10 1 2 0 0 0 11 6 2 0 0 0 12 4 2 0 0 0 13 4 1 0 0 0 14 8 2 0 0 0 15 8 1 0 0 0 16 18 1 0 0 0 17 11 1 0 0 0 18 15 2 0 0 0 19 14 1 0 0 0 20 13 1 0 0 0 21 16 1 0 0 0 22 21 1 0 0 0 23 22 1 0 0 0 24 23 1 0 0 0 25 24 1 0 0 0 16 19 2 0 0 0 6 7 1 0 0 0 M END > 9.52287874528034 > 6.92445303860747 $$$$ 11280715312D 1 1.00000 0.00000 0 31 32 0 1 0 999 V2000 1.7625 -3.3000 0.0000 S 0 0 3 0 0 0 0 0 0 1.7625 -3.9000 0.0000 N 0 0 3 0 0 0 0 0 0 1.2792 -4.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0.7042 -4.0667 0.0000 C 0 0 0 0 0 0 0 0 0 3.0125 -5.2417 0.0000 C 0 0 0 0 0 0 0 0 0 2.2500 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 1.4625 -4.8250 0.0000 C 0 0 0 0 0 0 0 0 0 2.4167 -5.3042 0.0000 N 0 0 0 0 0 0 0 0 0 2.2792 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 2.0625 -4.8250 0.0000 C 0 0 2 0 0 0 0 0 0 1.1792 -3.1417 0.0000 O 0 0 0 0 0 0 0 0 0 1.7542 -2.7000 0.0000 O 0 0 0 0 0 0 0 0 0 3.3667 -5.7292 0.0000 C 0 0 2 0 0 0 0 0 0 3.2750 -4.7042 0.0000 O 0 0 0 0 0 0 0 0 0 0.5792 -3.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0.2625 -4.4667 0.0000 N 0 0 0 0 0 0 0 0 0 2.8042 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 2.2792 -2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 3.9625 -5.6667 0.0000 C 0 0 3 0 0 0 0 0 0 3.3250 -2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 3.1167 -6.2792 0.0000 O 0 0 0 0 0 0 0 0 0 2.8000 -2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 3.3250 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3083 -4.2792 0.0000 O 0 0 0 0 0 0 0 0 0 3.8417 -2.1000 0.0000 O 0 0 0 0 0 0 0 0 0 4.3167 -6.1542 0.0000 C 0 0 0 0 0 0 0 0 0 4.2042 -5.1167 0.0000 C 0 0 0 0 0 0 0 0 0 4.3625 -2.3917 0.0000 C 0 0 0 0 0 0 0 0 0 4.8792 -2.0917 0.0000 C 0 0 0 0 0 0 0 0 0 5.4000 -2.3917 0.0000 C 0 0 0 0 0 0 0 0 0 5.9167 -2.0917 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 8 1 0 0 0 6 2 1 0 0 0 3 7 1 6 0 0 10 8 1 1 0 0 9 1 1 0 0 0 10 6 1 0 0 0 11 1 2 0 0 0 12 1 2 0 0 0 13 5 1 0 0 0 14 5 2 0 0 0 15 4 2 0 0 0 16 4 1 0 0 0 17 9 2 0 0 0 18 9 1 0 0 0 19 13 1 0 0 0 20 22 1 0 0 0 13 21 1 6 0 0 22 18 2 0 0 0 23 17 1 0 0 0 24 16 1 0 0 0 25 20 1 0 0 0 26 19 1 0 0 0 27 19 1 0 0 0 28 25 1 0 0 0 29 28 1 0 0 0 30 29 1 0 0 0 31 30 1 0 0 0 20 23 2 0 0 0 10 7 1 0 0 0 M END > 9.09691001300806 > 6.56863623584101 $$$$ 11280715462D 1 1.00000 0.00000 0 33 35 0 1 0 999 V2000 3.6125 -2.7875 0.0000 S 0 0 3 0 0 0 0 0 0 3.6125 -3.6167 0.0000 N 0 0 3 0 0 0 0 0 0 2.8917 -4.0292 0.0000 C 0 0 2 0 0 0 0 0 0 2.8917 -4.8542 0.0000 C 0 0 3 0 0 0 0 0 0 2.1792 -3.6167 0.0000 C 0 0 0 0 0 0 0 0 0 4.3292 -4.0292 0.0000 C 0 0 0 0 0 0 0 0 0 3.6167 -1.9625 0.0000 C 0 0 0 0 0 0 0 0 0 4.4375 -2.7792 0.0000 O 0 0 0 0 0 0 0 0 0 2.7875 -2.7792 0.0000 O 0 0 0 0 0 0 0 0 0 3.6042 -5.2667 0.0000 C 0 0 0 0 0 0 0 0 0 5.7792 0.9125 0.0000 C 0 0 0 0 0 0 0 0 0 2.1792 -2.7917 0.0000 O 0 0 0 0 0 0 0 0 0 4.3292 -4.8542 0.0000 C 0 0 1 0 0 0 0 0 0 5.0667 0.5083 0.0000 C 0 0 0 0 0 0 0 0 0 1.4667 -4.0250 0.0000 N 0 0 0 0 0 0 0 0 0 4.3542 0.9208 0.0000 C 0 0 0 0 0 0 0 0 0 4.3292 -1.5542 0.0000 C 0 0 0 0 0 0 0 0 0 2.9042 -1.5417 0.0000 C 0 0 0 0 0 0 0 0 0 3.6375 0.5208 0.0000 O 0 0 0 0 0 0 0 0 0 5.7875 1.7375 0.0000 C 0 0 3 0 0 0 0 0 0 3.6292 -0.3042 0.0000 C 0 0 0 0 0 0 0 0 0 2.0667 -4.8500 0.0000 C 0 0 0 0 0 0 0 0 0 2.8875 -5.6792 0.0000 C 0 0 0 0 0 0 0 0 0 2.9125 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 4.3417 -0.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0.7500 -3.6125 0.0000 O 0 0 0 0 0 0 0 0 0 5.0417 -5.2750 0.0000 O 0 0 0 0 0 0 0 0 0 6.4917 0.4958 0.0000 C 0 0 0 0 0 0 0 0 0 5.0542 -0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 6.5000 2.1458 0.0000 C 0 0 0 0 0 0 0 0 0 5.0750 2.1583 0.0000 C 0 0 0 0 0 0 0 0 0 6.4875 -0.3292 0.0000 C 0 0 0 0 0 0 0 0 0 5.7667 -0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 3 5 1 6 0 0 6 2 1 0 0 0 7 1 1 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 13 1 0 0 0 11 14 1 0 0 0 12 5 2 0 0 0 13 6 1 0 0 0 14 16 1 0 0 0 15 5 1 0 0 0 16 19 1 0 0 0 17 7 1 0 0 0 18 7 2 0 0 0 19 21 1 0 0 0 20 11 1 0 0 0 21 24 2 0 0 0 22 4 1 0 0 0 23 4 1 0 0 0 24 18 1 0 0 0 25 17 2 0 0 0 26 15 1 0 0 0 13 27 1 6 0 0 28 11 2 0 0 0 29 14 2 0 0 0 30 20 1 0 0 0 31 20 1 0 0 0 32 33 2 0 0 0 33 29 1 0 0 0 21 25 1 0 0 0 10 4 1 0 0 0 32 28 1 0 0 0 M END > 6.72584215073632 > 5.63827216398241 $$$$ CDK 9/16/09,10:8 32 34 0 0 0 0 0 0 0 0999 V2000 -3.3680 -22.7829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3595 -23.6052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6454 -24.0112 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9355 -23.5948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9441 -22.7723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6583 -22.3580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6410 -24.8336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3504 -25.2521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9231 -25.2415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9231 -26.0681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9210 -26.8948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7498 -26.0692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0966 -26.0671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6626 -21.5356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3805 -21.1276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3849 -20.3010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2349 -21.5240 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.8246 -20.8074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6452 -22.2405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5183 -21.9343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0121 -20.7137 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.1587 -19.9153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5522 -19.5081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1608 -20.0552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8801 -19.5172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5834 -19.9485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3018 -19.5561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3288 -18.7315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6239 -18.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8961 -18.6965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9521 -21.1163 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0940 -21.5420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 3 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 14 6 1 6 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 17 18 1 0 0 0 0 17 19 2 0 0 0 0 17 20 2 0 0 0 0 18 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 18 2 0 0 0 0 22 25 1 0 0 0 0 25 26 2 0 0 0 0 25 30 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 1 2 1 0 0 0 0 14 31 1 0 0 0 0 31 17 1 0 0 0 0 15 32 1 0 0 0 0 M END > 8.16749108729376 > 5.44369749923271 $$$$ 11280715202D 1 1.00000 0.00000 0 28 30 0 0 0 999 V2000 -0.8750 1.6708 0.0000 S 0 0 3 0 0 0 0 0 0 -2.3083 1.6833 0.0000 C 0 0 3 0 0 0 0 0 0 -1.5958 2.0958 0.0000 N 0 0 0 0 0 0 0 0 0 -3.0250 2.0958 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1583 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 -0.4500 2.3958 0.0000 O 0 0 0 0 0 0 0 0 0 -1.3000 0.9458 0.0000 O 0 0 0 0 0 0 0 0 0 -3.0250 2.9208 0.0000 O 0 0 0 0 0 0 0 0 0 -3.7375 1.6833 0.0000 N 0 0 0 0 0 0 0 0 0 1.9917 -0.0042 0.0000 O 0 0 0 0 0 0 0 0 0 -0.1583 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0.5542 1.6583 0.0000 C 0 0 0 0 0 0 0 0 0 1.2750 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 1.9917 -0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 1.9875 -2.4917 0.0000 C 0 0 0 0 0 0 0 0 0 -3.0333 1.2625 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5958 1.2625 0.0000 C 0 0 0 0 0 0 0 0 0 1.2750 1.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0.5542 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 1.9792 -3.3167 0.0000 F 0 0 0 0 0 0 0 0 0 -3.7375 0.8500 0.0000 O 0 0 0 0 0 0 0 0 0 2.7042 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 1.2667 -1.2417 0.0000 C 0 0 0 0 0 0 0 0 0 1.2667 -2.0750 0.0000 C 0 0 0 0 0 0 0 0 0 2.7042 -2.0750 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5958 0.4333 0.0000 C 0 0 0 0 0 0 0 0 0 -3.0333 0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 -2.3125 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 3 1 1 0 0 0 4 2 1 0 0 0 5 1 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 4 2 0 0 0 9 4 1 0 0 0 10 13 1 0 0 0 11 5 2 0 0 0 12 5 1 0 0 0 13 18 1 0 0 0 14 10 1 0 0 0 15 24 2 0 0 0 16 2 1 0 0 0 17 2 1 0 0 0 18 12 2 0 0 0 19 11 1 0 0 0 20 15 1 0 0 0 21 9 1 0 0 0 22 14 1 0 0 0 23 14 2 0 0 0 24 23 1 0 0 0 25 22 2 0 0 0 26 17 1 0 0 0 27 16 1 0 0 0 28 26 1 0 0 0 13 19 2 0 0 0 28 27 1 0 0 0 15 25 1 0 0 0 M END > 9.01322826573375 > 6.48148606012211 $$$$ SciTegic01161211212D 27 29 0 0 0 0 999 V2000 12.3880 -11.9335 0.0000 C 0 0 11.6708 -12.3421 0.0000 C 0 0 11.6661 -13.1630 0.0000 C 0 0 12.3769 -13.5814 0.0000 N 0 0 13.1005 -12.3457 0.0000 C 0 0 11.6732 -11.5236 0.0000 S 0 0 13.1031 -11.5195 0.0000 C 0 0 13.1051 -13.1707 0.0000 C 0 0 10.9594 -11.9385 0.0000 C 0 0 10.2452 -11.5239 0.0000 C 0 0 9.5319 -11.9381 0.0000 C 0 0 9.5339 -12.7646 0.0000 C 0 0 10.2551 -13.1751 0.0000 C 0 0 10.9655 -12.7585 0.0000 C 0 0 11.2538 -10.8035 0.0000 O 0 0 12.0794 -10.8035 0.0000 O 0 0 8.8207 -13.1804 0.0000 O 0 0 8.1040 -12.7707 0.0000 C 0 0 8.1056 -11.9472 0.0000 C 0 0 7.3898 -11.5376 0.0000 C 0 0 6.6756 -11.9535 0.0000 C 0 0 6.6818 -12.7833 0.0000 C 0 0 7.3982 -13.1893 0.0000 C 0 0 5.9582 -11.5447 0.0000 Cl 0 0 13.8186 -11.9314 0.0000 N 0 0 13.1021 -10.6939 0.0000 O 0 0 14.5330 -11.5177 0.0000 O 0 0 6 1 1 0 13 14 2 0 14 9 1 0 6 15 2 0 1 7 1 0 6 16 2 0 1 5 1 0 12 17 1 0 2 3 1 0 17 18 1 0 6 9 1 0 18 19 2 0 3 4 1 0 19 20 1 0 9 10 2 0 20 21 2 0 4 8 1 0 21 22 1 0 10 11 1 0 22 23 2 0 23 18 1 0 8 5 1 0 21 24 1 0 11 12 2 0 7 25 1 0 1 2 1 0 7 26 2 0 12 13 1 0 25 27 1 0 M END > 8.69897000433602 > 5.89962945488244 $$$$ 11280715132D 1 1.00000 0.00000 0 29 31 0 0 0 999 V2000 3.0542 -5.1250 0.0000 C 0 0 3 0 0 0 0 0 0 4.4875 -5.1167 0.0000 S 0 0 3 0 0 0 0 0 0 3.7625 -4.7042 0.0000 C 0 0 0 0 0 0 0 0 0 2.3292 -4.7167 0.0000 C 0 0 0 0 0 0 0 0 0 3.7250 -5.6042 0.0000 N 0 0 3 0 0 0 0 0 0 5.2792 -4.8917 0.0000 C 0 0 0 0 0 0 0 0 0 4.7292 -6.6125 0.0000 C 0 0 0 0 0 0 0 0 0 4.9417 -7.4042 0.0000 C 0 0 0 0 0 0 0 0 0 4.6792 -4.3125 0.0000 O 0 0 0 0 0 0 0 0 0 5.2000 -5.5292 0.0000 O 0 0 0 0 0 0 0 0 0 2.3167 -3.8917 0.0000 O 0 0 0 0 0 0 0 0 0 1.6250 -5.1417 0.0000 N 0 0 0 0 0 0 0 0 0 5.8750 -5.4667 0.0000 C 0 0 0 0 0 0 0 0 0 5.4875 -4.0875 0.0000 C 0 0 0 0 0 0 0 0 0 7.6667 -4.2042 0.0000 O 0 0 0 0 0 0 0 0 0 2.3917 -5.6167 0.0000 C 0 0 0 0 0 0 0 0 0 4.5167 -5.8167 0.0000 C 0 0 0 0 0 0 0 0 0 6.8667 -4.4375 0.0000 C 0 0 0 0 0 0 0 0 0 6.2792 -3.8625 0.0000 C 0 0 0 0 0 0 0 0 0 6.6667 -5.2417 0.0000 C 0 0 0 0 0 0 0 0 0 8.2542 -4.7792 0.0000 C 0 0 0 0 0 0 0 0 0 3.4792 -6.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0.9042 -4.7375 0.0000 O 0 0 0 0 0 0 0 0 0 2.6542 -6.4000 0.0000 C 0 0 0 0 0 0 0 0 0 9.0417 -4.5500 0.0000 C 0 0 0 0 0 0 0 0 0 8.0542 -5.5792 0.0000 C 0 0 0 0 0 0 0 0 0 8.6500 -6.1500 0.0000 C 0 0 0 0 0 0 0 0 0 9.6417 -5.1167 0.0000 C 0 0 0 0 0 0 0 0 0 9.4417 -5.9250 0.0000 C 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 3 1 1 0 0 0 4 1 1 0 0 0 5 1 1 0 0 0 6 2 1 0 0 0 7 17 1 0 0 0 8 7 3 0 0 0 9 2 2 0 0 0 10 2 2 0 0 0 11 4 2 0 0 0 12 4 1 0 0 0 13 6 1 0 0 0 14 6 2 0 0 0 15 18 1 0 0 0 16 1 1 0 0 0 17 5 1 0 0 0 18 19 2 0 0 0 19 14 1 0 0 0 20 13 2 0 0 0 21 15 1 0 0 0 22 5 1 0 0 0 23 12 1 0 0 0 24 16 1 0 0 0 25 21 1 0 0 0 26 21 2 0 0 0 27 26 1 0 0 0 28 25 2 0 0 0 29 27 2 0 0 0 24 22 1 0 0 0 20 18 1 0 0 0 29 28 1 0 0 0 M END > 10 > 6.52287874528034 $$$$ 11280714472D 1 1.00000 0.00000 0 31 33 0 0 0 999 V2000 5.1292 -2.0000 0.0000 S 0 0 3 0 0 0 0 0 0 4.4167 -3.2375 0.0000 C 0 0 0 0 0 0 0 0 0 3.7042 -3.6500 0.0000 C 0 0 0 0 0 0 0 0 0 4.4125 -2.4125 0.0000 N 0 0 3 0 0 0 0 0 0 5.1292 -3.6500 0.0000 C 0 0 0 0 0 0 0 0 0 2.9917 -3.2417 0.0000 C 0 0 0 0 0 0 0 0 0 5.7875 -1.5042 0.0000 C 0 0 0 0 0 0 0 0 0 4.7667 -1.1542 0.0000 O 0 0 0 0 0 0 0 0 0 5.4792 -2.7167 0.0000 O 0 0 0 0 0 0 0 0 0 3.7042 -4.4792 0.0000 C 0 0 0 0 0 0 0 0 0 7.3000 -2.4667 0.0000 N 0 0 3 0 0 0 0 0 0 5.1292 -4.4792 0.0000 C 0 0 0 0 0 0 0 0 0 5.8417 -3.2292 0.0000 C 0 0 3 0 0 0 0 0 0 4.4167 -4.8917 0.0000 C 0 0 0 0 0 0 0 0 0 2.9917 -2.4167 0.0000 O 0 0 0 0 0 0 0 0 0 2.2750 -3.6542 0.0000 N 0 0 0 0 0 0 0 0 0 6.5417 -1.8250 0.0000 C 0 0 0 0 0 0 0 0 0 5.6792 -0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 6.5417 -3.6750 0.0000 C 0 0 0 0 0 0 0 0 0 5.8667 -2.4042 0.0000 C 0 0 0 0 0 0 0 0 0 6.6042 -2.0250 0.0000 C 0 0 0 0 0 0 0 0 0 7.2667 -3.2917 0.0000 C 0 0 0 0 0 0 0 0 0 3.7000 -2.0042 0.0000 C 0 0 0 0 0 0 0 0 0 4.4167 -5.7167 0.0000 Br 0 0 0 0 0 0 0 0 0 7.1000 -0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 6.3375 -0.1917 0.0000 C 0 0 0 0 0 0 0 0 0 7.2042 -1.3292 0.0000 C 0 0 0 0 0 0 0 0 0 1.5625 -3.2417 0.0000 O 0 0 0 0 0 0 0 0 0 7.7542 -0.0125 0.0000 O 0 0 0 0 0 0 0 0 0 8.0292 -2.0875 0.0000 C 0 0 0 0 0 0 0 0 0 8.5167 -0.3292 0.0000 C 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 3 2 1 0 0 0 4 1 1 0 0 0 5 2 2 0 0 0 6 3 1 0 0 0 7 1 1 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 3 2 0 0 0 11 21 1 0 0 0 12 5 1 0 0 0 13 5 1 0 0 0 14 12 2 0 0 0 15 6 2 0 0 0 16 6 1 0 0 0 17 7 2 0 0 0 18 7 1 0 0 0 19 13 1 0 0 0 20 13 1 0 0 0 21 20 1 0 0 0 22 19 1 0 0 0 23 4 1 0 0 0 24 14 1 0 0 0 25 26 1 0 0 0 26 18 2 0 0 0 27 17 1 0 0 0 28 16 1 0 0 0 29 25 1 0 0 0 30 11 1 0 0 0 31 29 1 0 0 0 27 25 2 0 0 0 10 14 1 0 0 0 22 11 1 0 0 0 M END > 8.30102999566398 > 6.71219827006977 $$$$ 11280715012D 1 1.00000 0.00000 0 31 33 0 0 0 999 V2000 3.1500 -4.1292 0.0000 S 0 0 3 0 0 0 0 0 0 2.4292 -3.7250 0.0000 N 0 0 0 0 0 0 0 0 0 1.7167 -4.1292 0.0000 C 0 0 3 0 0 0 0 0 0 1.0042 -3.7250 0.0000 C 0 0 0 0 0 0 0 0 0 1.7167 -4.9625 0.0000 C 0 0 3 0 0 0 0 0 0 3.8667 -3.7250 0.0000 C 0 0 0 0 0 0 0 0 0 2.5625 -4.7167 0.0000 O 0 0 0 0 0 0 0 0 0 3.7292 -4.7167 0.0000 O 0 0 0 0 0 0 0 0 0 1.0000 -5.3667 0.0000 C 0 0 0 0 0 0 0 0 0 5.2917 -2.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0.2875 -6.6000 0.0000 N 0 0 0 0 0 0 0 0 0 6.0042 -2.4792 0.0000 C 0 0 0 0 0 0 0 0 0 1.0000 -6.1917 0.0000 C 0 0 0 0 0 0 0 0 0 1.0000 -2.9000 0.0000 O 0 0 0 0 0 0 0 0 0 4.5792 -4.1292 0.0000 C 0 0 0 0 0 0 0 0 0 3.8667 -2.9000 0.0000 C 0 0 0 0 0 0 0 0 0 5.2917 -3.7250 0.0000 C 0 0 0 0 0 0 0 0 0 4.5792 -2.4792 0.0000 C 0 0 0 0 0 0 0 0 0 6.0000 -1.6542 0.0000 C 0 0 0 0 0 0 0 0 0 6.7167 -2.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0.2875 -4.1292 0.0000 O 0 0 0 0 0 0 0 0 0 7.4292 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 6.7042 -1.2417 0.0000 C 0 0 0 0 0 0 0 0 0 7.4292 -2.4792 0.0000 C 0 0 0 0 0 0 0 0 0 -0.4333 -6.1875 0.0000 O 0 0 0 0 0 0 0 0 0 2.4292 -5.3667 0.0000 C 0 0 0 0 0 0 0 0 0 8.1417 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 2.4292 -6.1917 0.0000 C 0 0 0 0 0 0 0 0 0 1.7125 -6.6042 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1458 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 8.8542 -1.6417 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 3 1 0 0 0 6 1 1 0 0 0 7 1 2 0 0 0 8 1 2 0 0 0 9 5 1 0 0 0 10 18 2 0 0 0 11 13 2 0 0 0 12 10 1 0 0 0 13 9 1 0 0 0 14 4 2 0 0 0 15 6 1 0 0 0 16 6 2 0 0 0 17 15 2 0 0 0 18 16 1 0 0 0 19 12 1 0 0 0 20 12 2 0 0 0 21 4 1 0 0 0 22 24 2 0 0 0 23 19 2 0 0 0 24 20 1 0 0 0 25 11 1 0 0 0 26 5 1 0 0 0 27 22 1 0 0 0 28 26 1 0 0 0 29 28 1 0 0 0 30 25 1 0 0 0 31 27 1 0 0 0 17 10 1 0 0 0 13 29 1 0 0 0 23 22 1 0 0 0 M END > 7.67778070526608 > 5.3840499483436 $$$$ 11280715052D 1 1.00000 0.00000 0 31 33 0 0 0 999 V2000 4.6917 -3.3292 0.0000 S 0 0 3 0 0 0 0 0 0 3.8667 -3.2917 0.0000 N 0 0 3 0 0 0 0 0 0 2.6042 -3.9625 0.0000 C 0 0 0 0 0 0 0 0 0 3.4292 -3.9917 0.0000 C 0 0 0 0 0 0 0 0 0 3.8167 -4.7292 0.0000 C 0 0 0 0 0 0 0 0 0 2.2167 -3.2292 0.0000 C 0 0 0 0 0 0 0 0 0 5.5167 -3.3292 0.0000 C 0 0 0 0 0 0 0 0 0 5.1292 -2.6292 0.0000 O 0 0 0 0 0 0 0 0 0 5.0792 -4.0542 0.0000 O 0 0 0 0 0 0 0 0 0 2.1667 -4.6625 0.0000 C 0 0 0 0 0 0 0 0 0 3.4875 -2.5667 0.0000 C 0 0 0 0 0 0 0 0 0 3.3750 -5.4250 0.0000 C 0 0 0 0 0 0 0 0 0 2.5500 -5.3917 0.0000 C 0 0 0 0 0 0 0 0 0 2.6625 -2.5292 0.0000 O 0 0 0 0 0 0 0 0 0 5.1917 -1.2000 0.0000 N 0 0 0 0 0 0 0 0 0 1.3917 -3.2042 0.0000 N 0 0 0 0 0 0 0 0 0 3.9292 -1.8667 0.0000 C 0 0 0 0 0 0 0 0 0 5.9292 -4.0417 0.0000 C 0 0 0 0 0 0 0 0 0 5.9250 -2.6167 0.0000 C 0 0 0 0 0 0 0 0 0 2.1042 -6.0875 0.0000 Br 0 0 0 0 0 0 0 0 0 7.1625 -3.3250 0.0000 C 0 0 0 0 0 0 0 0 0 6.7500 -4.0375 0.0000 C 0 0 0 0 0 0 0 0 0 6.7417 -2.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0.9542 -3.9042 0.0000 O 0 0 0 0 0 0 0 0 0 4.6417 -4.7625 0.0000 C 0 0 0 0 0 0 0 0 0 4.7542 -1.9000 0.0000 C 0 0 0 0 0 0 0 0 0 7.9875 -3.3167 0.0000 O 0 0 0 0 0 0 0 0 0 4.8042 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 3.5417 -1.1292 0.0000 C 0 0 0 0 0 0 0 0 0 8.4000 -4.0375 0.0000 C 0 0 0 0 0 0 0 0 0 3.9875 -0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 4 1 0 0 0 4 2 1 0 0 0 5 4 2 0 0 0 6 3 1 0 0 0 7 1 1 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 3 2 0 0 0 11 2 1 0 0 0 12 5 1 0 0 0 13 12 2 0 0 0 14 6 2 0 0 0 15 26 2 0 0 0 16 6 1 0 0 0 17 11 1 0 0 0 18 7 2 0 0 0 19 7 1 0 0 0 20 13 1 0 0 0 21 23 1 0 0 0 22 18 1 0 0 0 23 19 2 0 0 0 24 16 1 0 0 0 25 5 1 0 0 0 26 17 1 0 0 0 27 21 1 0 0 0 28 31 2 0 0 0 29 17 2 0 0 0 30 27 1 0 0 0 31 29 1 0 0 0 22 21 2 0 0 0 10 13 1 0 0 0 15 28 1 0 0 0 M END > 7.69897000433602 > 6.90657831483776 $$$$ 11280715002D 1 1.00000 0.00000 0 38 40 0 0 0 999 V2000 3.9042 -7.2292 0.0000 S 0 0 3 0 0 0 0 0 0 7.5667 -7.2167 0.0000 S 0 0 3 0 0 0 0 0 0 3.3792 -6.9292 0.0000 N 0 0 3 0 0 0 0 0 0 7.0000 -7.0167 0.0000 N 0 0 0 0 0 0 0 0 0 5.4667 -5.1167 0.0000 N 0 3 0 0 0 0 0 0 0 6.5375 -7.4167 0.0000 C 0 0 0 0 0 0 0 0 0 4.4250 -7.5292 0.0000 C 0 0 0 0 0 0 0 0 0 2.8542 -7.2292 0.0000 C 0 0 0 0 0 0 0 0 0 8.1375 -7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 3.6000 -7.7500 0.0000 O 0 0 0 0 0 0 0 0 0 4.2042 -6.7125 0.0000 O 0 0 0 0 0 0 0 0 0 2.3292 -6.9292 0.0000 C 0 0 0 0 0 0 0 0 0 4.9375 -7.2292 0.0000 C 0 0 0 0 0 0 0 0 0 4.9542 -5.4167 0.0000 C 0 0 0 0 0 0 0 0 0 7.7667 -6.6500 0.0000 O 0 0 0 0 0 0 0 0 0 7.3667 -7.7875 0.0000 O 0 0 0 0 0 0 0 0 0 5.9667 -7.2167 0.0000 N 0 0 0 0 0 0 0 0 0 5.9917 -5.4167 0.0000 O 0 5 0 0 0 0 0 0 0 3.3792 -6.3292 0.0000 C 0 0 0 0 0 0 0 0 0 5.4667 -4.5167 0.0000 O 0 0 0 0 0 0 0 0 0 5.4500 -7.5250 0.0000 C 0 0 0 0 0 0 0 0 0 6.5542 -7.9667 0.0000 O 0 0 0 0 0 0 0 0 0 1.8125 -7.2292 0.0000 O 0 0 0 0 0 0 0 0 0 8.5917 -7.0292 0.0000 C 0 0 0 0 0 0 0 0 0 8.2417 -8.0167 0.0000 C 0 0 0 0 0 0 0 0 0 4.4250 -5.1167 0.0000 C 0 0 0 0 0 0 0 0 0 4.9542 -6.0250 0.0000 C 0 0 0 0 0 0 0 0 0 3.9042 -6.0250 0.0000 C 0 0 0 0 0 0 0 0 0 2.3292 -6.3292 0.0000 O 0 0 0 0 0 0 0 0 0 3.9042 -5.4167 0.0000 C 0 0 0 0 0 0 0 0 0 4.4250 -6.3292 0.0000 C 0 0 0 0 0 0 0 0 0 8.8125 -8.2167 0.0000 C 0 0 0 0 0 0 0 0 0 9.1542 -7.2292 0.0000 C 0 0 0 0 0 0 0 0 0 9.2667 -7.8250 0.0000 C 0 0 0 0 0 0 0 0 0 4.4167 -8.1292 0.0000 C 0 0 0 0 0 0 0 0 0 4.9375 -8.4250 0.0000 C 0 0 0 0 0 0 0 0 0 5.4500 -8.1292 0.0000 C 0 0 0 0 0 0 0 0 0 9.8375 -8.0292 0.0000 C 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 3 1 1 0 0 0 4 6 1 0 0 0 5 14 1 0 0 0 6 17 1 0 0 0 7 1 1 0 0 0 8 3 1 0 0 0 9 2 1 0 0 0 10 1 2 0 0 0 11 1 2 0 0 0 12 8 1 0 0 0 13 7 1 0 0 0 14 27 2 0 0 0 15 2 2 0 0 0 16 2 2 0 0 0 17 21 1 0 0 0 18 5 1 0 0 0 19 3 1 0 0 0 20 5 2 0 0 0 21 13 2 0 0 0 22 6 2 0 0 0 23 12 2 0 0 0 24 9 1 0 0 0 25 9 2 0 0 0 26 30 2 0 0 0 27 31 1 0 0 0 28 19 1 0 0 0 29 12 1 0 0 0 30 28 1 0 0 0 31 28 2 0 0 0 32 25 1 0 0 0 33 24 2 0 0 0 34 32 2 0 0 0 35 7 2 0 0 0 36 35 1 0 0 0 37 36 2 0 0 0 38 34 1 0 0 0 21 37 1 0 0 0 26 14 1 0 0 0 33 34 1 0 0 0 M CHG 2 5 1 18 -1 M END > 7.48148606012211 > 7.48148606012211 $$$$ 11280715082D 1 1.00000 0.00000 0 29 31 0 0 0 999 V2000 10.7250 -2.0625 0.0000 C 0 0 3 0 0 0 0 0 0 10.0125 -2.4792 0.0000 S 0 0 3 0 0 0 0 0 0 11.4417 -2.4625 0.0000 C 0 0 0 0 0 0 0 0 0 10.0167 -1.6542 0.0000 C 0 0 0 0 0 0 0 0 0 11.4375 -1.6542 0.0000 C 0 0 0 0 0 0 0 0 0 9.2917 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0 10.7250 -0.4125 0.0000 N 0 0 3 0 0 0 0 0 0 10.5917 -3.0625 0.0000 O 0 0 0 0 0 0 0 0 0 9.4250 -3.0625 0.0000 O 0 0 0 0 0 0 0 0 0 11.4542 -3.2875 0.0000 O 0 0 0 0 0 0 0 0 0 12.1542 -2.0417 0.0000 N 0 0 0 0 0 0 0 0 0 10.0167 -0.8292 0.0000 C 0 0 0 0 0 0 0 0 0 11.4375 -0.8292 0.0000 C 0 0 0 0 0 0 0 0 0 8.5792 -2.4792 0.0000 C 0 0 0 0 0 0 0 0 0 9.2917 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 10.7250 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 11.4417 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 7.8667 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 7.8667 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0 8.5792 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 12.8667 1.6458 0.0000 C 0 0 0 0 0 0 0 0 0 12.8750 -2.4417 0.0000 O 0 0 0 0 0 0 0 0 0 12.1542 0.4083 0.0000 C 0 0 0 0 0 0 0 0 0 11.4417 1.6458 0.0000 C 0 0 0 0 0 0 0 0 0 12.1542 2.0583 0.0000 C 0 0 0 0 0 0 0 0 0 12.8667 0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 7.1500 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 13.5875 2.0583 0.0000 C 0 0 0 0 0 0 0 0 0 6.4375 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 1 1 0 0 0 5 1 1 0 0 0 6 2 1 0 0 0 7 13 1 0 0 0 8 2 2 0 0 0 9 2 2 0 0 0 10 3 2 0 0 0 11 3 1 0 0 0 12 4 1 0 0 0 13 5 1 0 0 0 14 6 2 0 0 0 15 6 1 0 0 0 16 7 1 0 0 0 17 16 1 0 0 0 18 20 1 0 0 0 19 14 1 0 0 0 20 15 2 0 0 0 21 25 1 0 0 0 22 11 1 0 0 0 23 17 2 0 0 0 24 17 1 0 0 0 25 24 2 0 0 0 26 23 1 0 0 0 27 18 1 0 0 0 28 21 1 0 0 0 29 27 1 0 0 0 12 7 1 0 0 0 18 19 2 0 0 0 26 21 2 0 0 0 M END > 8.69897000433602 > 6.30627305107635 $$$$ 11280714562D 1 1.00000 0.00000 0 24 25 0 1 0 999 V2000 2.7125 -1.1250 0.0000 S 0 0 3 0 0 0 0 0 0 3.3125 -1.1250 0.0000 N 0 0 0 0 0 0 0 0 0 3.6042 -0.6042 0.0000 C 0 0 2 0 0 0 0 0 0 4.2042 -0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 2.1125 -1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 2.7042 -0.5250 0.0000 O 0 0 0 0 0 0 0 0 0 2.7042 -1.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0.9167 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0.3167 -1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 4.5125 -1.1167 0.0000 O 0 0 0 0 0 0 0 0 0 1.8000 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 1.8167 -1.6625 0.0000 C 0 0 0 0 0 0 0 0 0 3.3042 -0.0792 0.0000 C 0 0 3 0 0 0 0 0 0 1.2167 -1.6667 0.0000 C 0 0 0 0 0 0 0 0 0 1.2042 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0.0250 -1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0.0042 -0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 4.5042 -0.0792 0.0000 O 0 0 0 0 0 0 0 0 0 -0.8833 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5958 -0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5750 -1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 -1.4833 -1.1792 0.0000 F 0 0 0 0 0 0 0 0 0 2.7875 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 3.6042 0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 1 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 14 2 0 0 0 9 8 1 0 0 0 10 4 2 0 0 0 11 5 1 0 0 0 12 5 2 0 0 0 3 13 1 1 0 0 14 12 1 0 0 0 15 11 2 0 0 0 16 9 2 0 0 0 17 9 1 0 0 0 18 4 1 0 0 0 19 20 1 0 0 0 20 17 2 0 0 0 21 16 1 0 0 0 22 19 1 0 0 0 23 13 1 0 0 0 24 13 1 0 0 0 8 15 1 0 0 0 21 19 2 0 0 0 M END > 7.36653154442041 > 5.3767507096021 $$$$ 11280715122D 1 1.00000 0.00000 0 24 25 0 0 0 999 V2000 5.4917 -4.5542 0.0000 S 0 0 3 0 0 0 0 0 0 4.0542 -4.5667 0.0000 C 0 0 3 0 0 0 0 0 0 4.7667 -4.1500 0.0000 C 0 0 0 0 0 0 0 0 0 3.3375 -4.1625 0.0000 C 0 0 0 0 0 0 0 0 0 6.2875 -4.3292 0.0000 C 0 0 0 0 0 0 0 0 0 5.2792 -5.3542 0.0000 O 0 0 0 0 0 0 0 0 0 5.6875 -3.7542 0.0000 O 0 0 0 0 0 0 0 0 0 3.3292 -3.3375 0.0000 O 0 0 0 0 0 0 0 0 0 8.6667 -3.6500 0.0000 S 0 0 0 0 0 0 0 0 0 2.6292 -4.5792 0.0000 N 0 0 0 0 0 0 0 0 0 4.0667 -5.3875 0.0000 N 0 0 0 0 0 0 0 0 0 6.4917 -3.5292 0.0000 C 0 0 0 0 0 0 0 0 0 6.8792 -4.9042 0.0000 C 0 0 0 0 0 0 0 0 0 7.8750 -3.8792 0.0000 C 0 0 0 0 0 0 0 0 0 9.2625 -4.2167 0.0000 C 0 0 0 0 0 0 0 0 0 3.3417 -4.9875 0.0000 C 0 0 0 0 0 0 0 0 0 7.6750 -4.6792 0.0000 C 0 0 0 0 0 0 0 0 0 7.2792 -3.3042 0.0000 C 0 0 0 0 0 0 0 0 0 1.9042 -4.1792 0.0000 O 0 0 0 0 0 0 0 0 0 10.0500 -3.9917 0.0000 C 0 0 0 0 0 0 0 0 0 9.0625 -5.0167 0.0000 C 0 0 0 0 0 0 0 0 0 9.6542 -5.5917 0.0000 C 0 0 0 0 0 0 0 0 0 10.6417 -4.5542 0.0000 C 0 0 0 0 0 0 0 0 0 10.4417 -5.3667 0.0000 C 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 3 1 1 0 0 0 4 2 1 0 0 0 5 1 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 4 2 0 0 0 9 14 1 0 0 0 10 4 1 0 0 0 11 2 1 0 0 0 12 5 2 0 0 0 13 5 1 0 0 0 14 17 1 0 0 0 15 9 1 0 0 0 16 2 1 0 0 0 17 13 2 0 0 0 18 12 1 0 0 0 19 10 1 0 0 0 20 15 1 0 0 0 21 15 2 0 0 0 22 21 1 0 0 0 23 20 2 0 0 0 24 22 2 0 0 0 14 18 2 0 0 0 23 24 1 0 0 0 M END > 8.61978875828839 > 5.35654732351381 $$$$ 11280714452D 1 1.00000 0.00000 0 30 32 0 0 0 999 V2000 4.6000 -2.6375 0.0000 S 0 0 3 0 0 0 0 0 0 4.6000 -3.4625 0.0000 N 0 0 0 0 0 0 0 0 0 3.8792 -3.8750 0.0000 C 0 0 3 0 0 0 0 0 0 3.1667 -3.4625 0.0000 C 0 0 0 0 0 0 0 0 0 4.6000 -5.1125 0.0000 C 0 0 0 0 0 0 0 0 0 5.3125 -2.2250 0.0000 C 0 0 0 0 0 0 0 0 0 5.3125 -5.5167 0.0000 C 0 0 0 0 0 0 0 0 0 4.3792 -1.8292 0.0000 O 0 0 0 0 0 0 0 0 0 3.8000 -2.8417 0.0000 O 0 0 0 0 0 0 0 0 0 6.7417 -1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 7.4542 -0.9875 0.0000 C 0 0 0 0 0 0 0 0 0 3.1667 -2.6375 0.0000 O 0 0 0 0 0 0 0 0 0 5.3125 -1.4042 0.0000 C 0 0 0 0 0 0 0 0 0 6.0292 -2.6375 0.0000 C 0 0 0 0 0 0 0 0 0 6.7417 -2.2250 0.0000 C 0 0 0 0 0 0 0 0 0 6.0250 -0.9875 0.0000 C 0 0 0 0 0 0 0 0 0 8.1667 -1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 7.4542 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 3.8792 -4.7000 0.0000 C 0 0 0 0 0 0 0 0 0 6.0250 -5.9292 0.0000 C 0 0 0 0 0 0 0 0 0 2.4542 -3.8750 0.0000 O 0 0 0 0 0 0 0 0 0 8.8792 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 8.1625 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 8.8792 -0.9875 0.0000 C 0 0 0 0 0 0 0 0 0 9.5917 0.2583 0.0000 F 0 0 0 0 0 0 0 0 0 6.0167 -6.7542 0.0000 C 0 0 0 0 0 0 0 0 0 6.7292 -5.5167 0.0000 C 0 0 0 0 0 0 0 0 0 7.4417 -5.9292 0.0000 C 0 0 0 0 0 0 0 0 0 6.7292 -7.1667 0.0000 C 0 0 0 0 0 0 0 0 0 7.4417 -6.7542 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 19 1 0 0 0 6 1 1 0 0 0 7 5 3 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 15 2 0 0 0 11 10 1 0 0 0 12 4 2 0 0 0 13 6 1 0 0 0 14 6 2 0 0 0 15 14 1 0 0 0 16 13 2 0 0 0 17 11 2 0 0 0 18 11 1 0 0 0 19 3 1 0 0 0 20 7 1 0 0 0 21 4 1 0 0 0 22 23 1 0 0 0 23 18 2 0 0 0 24 17 1 0 0 0 25 22 1 0 0 0 26 20 2 0 0 0 27 20 1 0 0 0 28 27 2 0 0 0 29 26 1 0 0 0 30 28 1 0 0 0 16 10 1 0 0 0 24 22 2 0 0 0 29 30 2 0 0 0 M END > 6.64 > 5.2518119729938 $$$$ CDK 9/16/09,9:54 29 30 0 0 0 0 0 0 0 0999 V2000 9.5375 -18.0292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2520 -17.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9664 -18.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2520 -16.7917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6809 -17.6167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3954 -18.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1099 -17.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8243 -18.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1099 -16.7917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8230 -17.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6809 -16.7917 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.6750 -15.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5059 -16.7887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8559 -16.7988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3925 -15.5447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3869 -14.7163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6653 -14.3060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9479 -14.7301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9569 -15.5571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6584 -13.4810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3693 -13.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0855 -13.4742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7960 -13.0563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7895 -12.2305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0665 -11.8242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3590 -12.2444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9664 -18.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2520 -19.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6809 -19.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12 15 2 0 0 0 0 7 8 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 7 9 2 0 0 0 0 17 18 1 0 0 0 0 3 5 1 0 0 0 0 18 19 2 0 0 0 0 19 12 1 0 0 0 0 1 10 1 0 0 0 0 17 20 1 0 0 0 0 2 3 1 0 0 0 0 20 21 1 0 0 0 0 5 11 1 0 0 0 0 21 22 2 0 0 0 0 5 6 1 0 0 0 0 22 23 1 0 0 0 0 11 12 1 0 0 0 0 23 24 2 0 0 0 0 1 2 1 0 0 0 0 24 25 1 0 0 0 0 11 13 2 0 0 0 0 25 26 2 0 0 0 0 26 21 1 0 0 0 0 6 7 1 0 0 0 0 3 27 1 6 0 0 0 11 14 2 0 0 0 0 27 28 1 0 0 0 0 2 4 2 0 0 0 0 27 29 1 0 0 0 0 M END > 9.48148606012211 > 7.22914798835786 $$$$ 11280715512D 1 1.00000 0.00000 0 26 27 0 1 0 999 V2000 5.9560 -2.7767 0.0000 C 0 0 0 0 0 0 0 0 0 5.9548 -3.6035 0.0000 C 0 0 0 0 0 0 0 0 0 6.6690 -4.0160 0.0000 C 0 0 0 0 0 0 0 0 0 7.3849 -3.6030 0.0000 C 0 0 0 0 0 0 0 0 0 7.3820 -2.7731 0.0000 C 0 0 0 0 0 0 0 0 0 6.6672 -2.3644 0.0000 C 0 0 0 0 0 0 0 0 0 5.2365 -4.0274 0.0000 S 0 0 3 0 0 0 0 0 0 4.5128 -4.4504 0.0000 N 0 0 3 0 0 0 0 0 0 5.6615 -4.7477 0.0000 O 0 0 0 0 0 0 0 0 0 4.8090 -3.3064 0.0000 O 0 0 0 0 0 0 0 0 0 3.7890 -4.0448 0.0000 C 0 0 2 0 0 0 0 0 0 3.0800 -4.4642 0.0000 C 0 0 3 0 0 0 0 0 0 3.0886 -5.2949 0.0000 S 0 0 0 0 0 0 0 0 0 3.8208 -5.6962 0.0000 C 0 0 0 0 0 0 0 0 0 4.5276 -5.2795 0.0000 C 0 0 0 0 0 0 0 0 0 3.7739 -3.2206 0.0000 C 0 0 0 0 0 0 0 0 0 4.4760 -2.7962 0.0000 O 0 0 0 0 0 0 0 0 0 3.0484 -2.8165 0.0000 N 0 0 0 0 0 0 0 0 0 3.0375 -1.9923 0.0000 O 0 0 0 0 0 0 0 0 0 8.0991 -2.3522 0.0000 O 0 0 0 0 0 0 0 0 0 8.8131 -2.7697 0.0000 C 0 0 0 0 0 0 0 0 0 8.8030 -3.5951 0.0000 C 0 0 0 0 0 0 0 0 0 2.8642 -3.6677 0.0000 C 0 0 0 0 0 0 0 0 0 2.2564 -4.4170 0.0000 C 0 0 0 0 0 0 0 0 0 9.5117 -4.0158 0.0000 C 0 0 0 0 0 0 0 0 0 9.5017 -4.8401 0.0000 C 0 0 0 0 0 0 0 0 0 2 7 1 0 0 0 8 15 1 0 0 0 11 12 1 6 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 3 4 2 0 0 0 11 16 1 0 0 0 7 8 1 0 0 0 16 17 2 0 0 0 16 18 1 0 0 0 7 9 2 0 0 0 18 19 1 0 0 0 4 5 1 0 0 0 5 20 1 0 0 0 7 10 2 0 0 0 20 21 1 0 0 0 8 11 1 0 0 0 21 22 1 0 0 0 2 3 1 0 0 0 12 23 1 0 0 0 5 6 2 0 0 0 12 24 1 0 0 0 6 1 1 0 0 0 22 25 2 0 0 0 1 2 2 0 0 0 25 26 1 0 0 0 M END > 8.69897000433602 > 8.15490195998574 $$$$ CDK 9/16/09,9:58 39 43 0 0 0 0 0 0 0 0999 V2000 5.0312 -16.1158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0299 -16.9434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7429 -17.3563 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7410 -15.7029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4591 -16.1117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4602 -16.9392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1761 -17.3502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8916 -16.9349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8865 -16.1043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1699 -15.6971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1784 -18.1731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4633 -18.5867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4649 -19.4110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1809 -19.8226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8968 -19.4040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8917 -18.5810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7370 -14.8779 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0206 -14.4687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0168 -13.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7304 -13.2329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7269 -12.4087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0100 -11.9986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2950 -12.4189 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3020 -13.2419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4496 -14.4621 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.1595 -14.0441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8669 -15.1738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0335 -13.7497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8761 -14.4527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5855 -14.0354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5788 -13.2108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8568 -12.8052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1503 -13.2248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2892 -12.7911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0077 -13.1966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3163 -15.7038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3156 -14.8788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6021 -16.1170 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8873 -15.7050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8 9 1 0 0 0 0 18 19 1 0 0 0 0 4 1 1 0 0 0 0 19 20 2 0 0 0 0 9 10 2 0 0 0 0 20 21 1 0 0 0 0 10 5 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 2 3 1 0 0 0 0 23 24 2 0 0 0 0 24 19 1 0 0 0 0 11 12 2 0 0 0 0 17 25 1 0 0 0 0 5 6 1 0 0 0 0 25 26 1 0 0 0 0 12 13 1 0 0 0 0 25 27 2 0 0 0 0 3 6 2 0 0 0 0 25 28 2 0 0 0 0 13 14 2 0 0 0 0 26 29 2 0 0 0 0 6 7 1 0 0 0 0 29 30 1 0 0 0 0 14 15 1 0 0 0 0 30 31 2 0 0 0 0 1 2 2 0 0 0 0 31 32 1 0 0 0 0 15 16 2 0 0 0 0 32 33 2 0 0 0 0 33 26 1 0 0 0 0 16 11 1 0 0 0 0 31 34 1 0 0 0 0 7 11 1 0 0 0 0 34 35 1 0 0 0 0 7 8 2 0 0 0 0 1 36 1 0 0 0 0 4 17 1 0 0 0 0 36 37 2 0 0 0 0 5 4 2 0 0 0 0 36 38 1 0 0 0 0 17 18 1 0 0 0 0 38 39 1 0 0 0 0 M END > 8.39794000867204 > 6.82102305270683 $$$$ 11280715072D 1 1.00000 0.00000 0 40 42 0 1 0 999 V2000 5.3792 -2.5917 0.0000 N 0 0 0 0 0 0 0 0 0 4.6667 -3.0125 0.0000 C 0 0 0 0 0 0 0 0 0 2.5250 -2.6125 0.0000 P 0 0 3 0 0 0 0 0 0 3.9500 -2.6042 0.0000 C 0 0 3 0 0 0 0 0 0 6.0917 -3.0042 0.0000 C 0 0 2 0 0 0 0 0 0 6.8042 -2.5875 0.0000 C 0 0 0 0 0 0 0 0 0 3.2375 -3.0167 0.0000 C 0 0 0 0 0 0 0 0 0 6.1000 -3.8292 0.0000 C 0 0 3 0 0 0 0 0 0 2.5167 -1.7875 0.0000 O 0 0 0 0 0 0 0 0 0 4.6667 -3.8375 0.0000 O 0 0 0 0 0 0 0 0 0 3.9417 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 6.8042 -1.7625 0.0000 O 0 0 0 0 0 0 0 0 0 1.8125 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 7.5250 -3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 2.5167 -3.4375 0.0000 O 0 0 0 0 0 0 0 0 0 1.0917 -2.6167 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3333 -1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 4.6417 1.1083 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0500 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 4.6542 -0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 4.6542 -1.3625 0.0000 C 0 0 0 0 0 0 0 0 0 4.6417 1.9333 0.0000 F 0 0 0 0 0 0 0 0 0 3.9292 0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 5.3625 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3333 -2.6250 0.0000 C 0 0 0 0 0 0 0 0 0 1.0875 -1.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0.3667 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0.3792 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 3.9417 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 5.3667 -0.1250 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7625 -1.8042 0.0000 C 0 0 0 0 0 0 0 0 0 5.2750 -3.8250 0.0000 C 0 0 0 0 0 0 0 0 0 6.9250 -3.8292 0.0000 C 0 0 0 0 0 0 0 0 0 6.1125 -4.6542 0.0000 C 0 0 0 0 0 0 0 0 0 8.2375 -2.5792 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7625 -2.6375 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4833 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4833 -3.0500 0.0000 C 0 0 0 0 0 0 0 0 0 -3.1958 -1.8125 0.0000 C 0 0 0 0 0 0 0 0 0 -3.1958 -2.6375 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 7 1 0 0 0 4 2 1 0 0 0 5 1 1 0 0 0 6 5 1 0 0 0 7 4 1 0 0 0 5 8 1 6 0 0 9 3 2 0 0 0 10 2 2 0 0 0 4 11 1 0 0 0 12 6 2 0 0 0 13 3 1 0 0 0 14 6 1 0 0 0 15 3 1 0 0 0 16 13 1 0 0 0 17 25 2 0 0 0 18 24 2 0 0 0 19 17 1 0 0 0 20 21 1 0 0 0 21 11 1 0 0 0 22 18 1 0 0 0 23 29 2 0 0 0 24 30 1 0 0 0 25 28 1 0 0 0 26 16 1 0 0 0 27 26 2 0 0 0 28 16 2 0 0 0 29 20 1 0 0 0 30 20 2 0 0 0 31 19 1 0 0 0 32 8 1 0 0 0 33 8 1 0 0 0 34 8 1 0 0 0 35 14 1 0 0 0 36 31 1 0 0 0 37 31 2 0 0 0 38 36 2 0 0 0 39 37 1 0 0 0 40 39 2 0 0 0 18 23 1 0 0 0 17 27 1 0 0 0 40 38 1 0 0 0 M END > 7.88605664769316 > 6.27572413039921 $$$$ 11280715512D 1 1.00000 0.00000 0 29 30 0 1 0 999 V2000 -0.9839 1.6070 0.0000 C 0 0 0 0 0 0 0 0 0 -0.9850 0.7803 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2709 0.3678 0.0000 C 0 0 0 0 0 0 0 0 0 0.4449 0.7808 0.0000 C 0 0 0 0 0 0 0 0 0 0.4421 1.6106 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2727 2.0193 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7034 0.3563 0.0000 S 0 0 3 0 0 0 0 0 0 -2.4270 -0.0666 0.0000 N 0 0 3 0 0 0 0 0 0 -1.2783 -0.3639 0.0000 O 0 0 0 0 0 0 0 0 0 -2.1309 1.0773 0.0000 O 0 0 0 0 0 0 0 0 0 -3.1508 0.3389 0.0000 C 0 0 2 0 0 0 0 0 0 -3.8599 -0.0804 0.0000 C 0 0 3 0 0 0 0 0 0 -3.8513 -0.9111 0.0000 S 0 0 0 0 0 0 0 0 0 -3.1190 -1.3124 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4122 -0.8957 0.0000 C 0 0 0 0 0 0 0 0 0 -3.1659 1.1632 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4638 1.5875 0.0000 O 0 0 0 0 0 0 0 0 0 -3.8914 1.5672 0.0000 N 0 0 0 0 0 0 0 0 0 -3.9023 2.3914 0.0000 O 0 0 0 0 0 0 0 0 0 1.1592 2.0315 0.0000 O 0 0 0 0 0 0 0 0 0 1.8729 1.6140 0.0000 C 0 0 0 0 0 0 0 0 0 1.8629 0.7887 0.0000 C 0 0 0 0 0 0 0 0 0 1.8586 -0.0417 0.0000 C 0 0 0 0 0 0 0 0 0 1.8495 -0.8734 0.0000 C 0 0 0 0 0 0 0 0 0 -4.0756 0.7161 0.0000 C 0 0 0 0 0 0 0 0 0 -4.6833 -0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 2.5587 -1.2933 0.0000 C 0 0 0 0 0 0 0 0 0 3.2771 -0.8891 0.0000 C 0 0 0 0 0 0 0 0 0 3.9864 -1.3090 0.0000 N 0 0 0 0 0 0 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 3 4 2 0 0 0 11 16 1 0 0 0 7 8 1 0 0 0 16 17 2 0 0 0 16 18 1 0 0 0 7 9 2 0 0 0 18 19 1 0 0 0 4 5 1 0 0 0 5 20 1 0 0 0 7 10 2 0 0 0 20 21 1 0 0 0 8 11 1 0 0 0 21 22 1 0 0 0 2 3 1 0 0 0 22 23 3 0 0 0 5 6 2 0 0 0 23 24 1 0 0 0 6 1 1 0 0 0 12 25 1 0 0 0 1 2 2 0 0 0 12 26 1 0 0 0 2 7 1 0 0 0 24 27 1 0 0 0 8 15 1 0 0 0 27 28 1 0 0 0 11 12 1 6 0 0 28 29 1 0 0 0 M END > 8.04575749056067 > 6.6458915608526 $$$$ 11280715192D 1 1.00000 0.00000 0 33 35 0 1 0 999 V2000 2.5250 -1.6250 0.0000 S 0 0 3 0 0 0 0 0 0 2.5250 -0.8000 0.0000 N 0 0 3 0 0 0 0 0 0 3.2375 -0.3875 0.0000 C 0 0 2 0 0 0 0 0 0 2.5250 0.8583 0.0000 N 0 0 3 0 0 0 0 0 0 2.5250 1.6833 0.0000 S 0 0 3 0 0 0 0 0 0 3.2375 0.4458 0.0000 C 0 0 1 0 0 0 0 0 0 3.9542 -0.8042 0.0000 C 0 0 0 0 0 0 0 0 0 1.8042 -0.3875 0.0000 C 0 0 0 0 0 0 0 0 0 1.8042 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 2.5250 -2.4500 0.0000 C 0 0 0 0 0 0 0 0 0 3.3500 -1.6250 0.0000 O 0 0 0 0 0 0 0 0 0 1.7000 -1.6250 0.0000 O 0 0 0 0 0 0 0 0 0 3.3500 1.6833 0.0000 O 0 0 0 0 0 0 0 0 0 1.7000 1.6833 0.0000 O 0 0 0 0 0 0 0 0 0 3.9542 -1.6375 0.0000 O 0 0 0 0 0 0 0 0 0 4.6667 -0.3917 0.0000 N 0 0 0 0 0 0 0 0 0 1.8125 -6.1667 0.0000 C 0 0 0 0 0 0 0 0 0 1.8125 -5.3417 0.0000 C 0 0 0 0 0 0 0 0 0 1.8042 -2.8625 0.0000 C 0 0 0 0 0 0 0 0 0 3.2375 -2.8625 0.0000 C 0 0 0 0 0 0 0 0 0 1.1000 -6.5792 0.0000 C 0 0 0 0 0 0 0 0 0 2.5250 -4.9292 0.0000 O 0 0 0 0 0 0 0 0 0 2.5250 2.5083 0.0000 C 0 0 0 0 0 0 0 0 0 2.5250 -4.1042 0.0000 C 0 0 0 0 0 0 0 0 0 3.9542 0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 3.2375 -3.6917 0.0000 C 0 0 0 0 0 0 0 0 0 1.8042 -3.6917 0.0000 C 0 0 0 0 0 0 0 0 0 5.3875 -0.8042 0.0000 O 0 0 0 0 0 0 0 0 0 2.5292 -6.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0.3792 -6.1625 0.0000 C 0 0 0 0 0 0 0 0 0 1.1000 -7.4125 0.0000 C 0 0 0 0 0 0 0 0 0 1.8125 -7.8250 0.0000 C 0 0 0 0 0 0 0 0 0 2.5292 -7.4125 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 9 1 0 0 0 5 4 1 0 0 0 6 3 1 0 0 0 3 7 1 6 0 0 8 2 1 0 0 0 9 8 1 0 0 0 10 1 1 0 0 0 11 1 2 0 0 0 12 1 2 0 0 0 13 5 2 0 0 0 14 5 2 0 0 0 15 7 2 0 0 0 16 7 1 0 0 0 17 18 1 0 0 0 18 22 1 0 0 0 19 10 1 0 0 0 20 10 2 0 0 0 21 17 2 0 0 0 22 24 1 0 0 0 23 5 1 0 0 0 24 26 2 0 0 0 6 25 1 1 0 0 26 20 1 0 0 0 27 19 2 0 0 0 28 16 1 0 0 0 29 17 1 0 0 0 30 21 1 0 0 0 31 21 1 0 0 0 32 33 1 0 0 0 33 29 2 0 0 0 27 24 1 0 0 0 6 4 1 0 0 0 31 32 2 0 0 0 M END > 8.39794000867204 > 5.88605664769316 $$$$ 11280715432D 1 1.00000 0.00000 0 25 26 0 0 0 999 V2000 -0.7833 0.8375 0.0000 S 0 0 3 0 0 0 0 0 0 -0.7875 0.0083 0.0000 N 0 0 3 0 0 0 0 0 0 -1.5458 -0.3417 0.0000 C 0 0 3 0 0 0 0 0 0 -2.1833 0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0.0417 0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7833 1.6708 0.0000 O 0 0 0 0 0 0 0 0 0 -1.6083 0.8375 0.0000 O 0 0 0 0 0 0 0 0 0 2.5375 -0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 2.9417 -1.3250 0.0000 C 0 0 0 0 0 0 0 0 0 -2.1833 1.0125 0.0000 O 0 0 0 0 0 0 0 0 0 -1.2208 -1.8000 0.0000 S 0 0 0 0 0 0 0 0 0 -2.9250 -0.1667 0.0000 N 0 0 0 0 0 0 0 0 0 0.4542 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0.4542 1.5583 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0458 -0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7250 -1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 1.7042 0.8333 0.0000 C 0 0 0 0 0 0 0 0 0 1.2792 1.5583 0.0000 C 0 0 0 0 0 0 0 0 0 1.2792 0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 -3.6083 0.2958 0.0000 O 0 0 0 0 0 0 0 0 0 2.9417 0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0.1375 -1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 2.5375 0.8333 0.0000 O 0 0 0 0 0 0 0 0 0 -0.3875 -1.8042 0.0000 C 0 0 0 0 0 0 0 0 0 3.3542 -2.0417 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 1 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 21 1 0 0 0 9 8 3 0 0 0 10 4 2 0 0 0 11 16 1 0 0 0 12 4 1 0 0 0 13 5 2 0 0 0 14 5 1 0 0 0 15 2 1 0 0 0 16 3 1 0 0 0 17 18 1 0 0 0 18 14 2 0 0 0 19 13 1 0 0 0 20 12 1 0 0 0 21 23 1 0 0 0 22 15 1 0 0 0 23 17 1 0 0 0 24 22 1 0 0 0 25 9 1 0 0 0 17 19 2 0 0 0 24 11 1 0 0 0 M END > 7.44369749923271 > 6.38933983691012 $$$$ 11280715432D 1 1.00000 0.00000 0 25 26 0 0 0 999 V2000 -0.7833 0.8458 0.0000 S 0 0 3 0 0 0 0 0 0 -0.7875 0.0083 0.0000 N 0 0 3 0 0 0 0 0 0 -1.5458 -0.3417 0.0000 C 0 0 3 0 0 0 0 0 0 -2.1833 0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0.0500 0.8458 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7833 1.6708 0.0000 O 0 0 0 0 0 0 0 0 0 -1.6083 0.8458 0.0000 O 0 0 0 0 0 0 0 0 0 2.5375 -0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 2.9500 -1.3167 0.0000 C 0 0 0 0 0 0 0 0 0 -2.1833 1.0208 0.0000 O 0 0 0 0 0 0 0 0 0 -0.0458 -0.3542 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3875 -1.8042 0.0000 N 0 0 0 0 0 0 0 0 0 -2.9250 -0.1667 0.0000 N 0 0 0 0 0 0 0 0 0 -1.7250 -1.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0.4542 1.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0.4542 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 1.7042 0.8333 0.0000 C 0 0 0 0 0 0 0 0 0 1.2792 1.5583 0.0000 C 0 0 0 0 0 0 0 0 0 1.2792 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 -3.6208 0.2958 0.0000 O 0 0 0 0 0 0 0 0 0 2.9500 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0.1375 -1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 -1.2208 -1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 2.5375 0.8333 0.0000 O 0 0 0 0 0 0 0 0 0 3.3542 -2.0417 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 1 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 21 1 0 0 0 9 8 3 0 0 0 10 4 2 0 0 0 11 2 1 0 0 0 12 22 1 0 0 0 13 4 1 0 0 0 14 3 1 0 0 0 15 5 1 0 0 0 16 5 2 0 0 0 17 19 2 0 0 0 18 15 2 0 0 0 19 16 1 0 0 0 20 13 1 0 0 0 21 24 1 0 0 0 22 11 1 0 0 0 23 14 1 0 0 0 24 17 1 0 0 0 25 9 1 0 0 0 17 18 1 0 0 0 12 23 1 0 0 0 M END > 7.49485002168009 > 6.56224943717961 $$$$ 11280715402D 1 1.00000 0.00000 0 19 19 0 0 0 999 V2000 8.4250 -2.1042 0.0000 S 0 0 3 0 0 0 0 0 0 8.4292 -4.5792 0.0000 C 0 0 0 0 0 0 0 0 0 8.4250 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 8.4250 -2.9292 0.0000 C 0 0 0 0 0 0 0 0 0 9.2500 -2.1042 0.0000 O 0 0 0 0 0 0 0 0 0 7.6000 -2.1042 0.0000 O 0 0 0 0 0 0 0 0 0 7.7125 -3.3417 0.0000 C 0 0 0 0 0 0 0 0 0 7.7125 -4.1667 0.0000 C 0 0 3 0 0 0 0 0 0 9.1417 -4.1667 0.0000 O 0 0 0 0 0 0 0 0 0 7.7125 -0.8667 0.0000 C 0 0 0 0 0 0 0 0 0 9.1417 -0.8667 0.0000 C 0 0 0 0 0 0 0 0 0 7.0000 -4.5792 0.0000 S 0 0 0 0 0 0 0 0 0 8.4292 -5.4042 0.0000 O 0 0 0 0 0 0 0 0 0 8.4250 0.3750 0.0000 C 0 0 0 0 0 0 0 0 0 9.1417 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 7.7125 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 8.4250 1.2000 0.0000 O 0 0 0 0 0 0 0 0 0 7.7167 -5.8167 0.0000 C 0 0 0 0 0 0 0 0 0 9.1375 1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 2 8 1 0 0 0 3 1 1 0 0 0 4 1 1 0 0 0 5 1 2 0 0 0 6 1 2 0 0 0 7 4 1 0 0 0 8 7 1 0 0 0 9 2 2 0 0 0 10 3 1 0 0 0 11 3 2 0 0 0 12 8 1 0 0 0 13 2 1 0 0 0 14 15 2 0 0 0 15 11 1 0 0 0 16 10 2 0 0 0 17 14 1 0 0 0 18 13 1 0 0 0 19 17 1 0 0 0 14 16 1 0 0 0 M END > 7.74472749489669 > 5.39794000867204 $$$$ 11280715002D 1 1.00000 0.00000 0 39 41 0 0 0 999 V2000 3.8667 -7.2292 0.0000 S 0 0 3 0 0 0 0 0 0 7.5292 -7.2417 0.0000 S 0 0 3 0 0 0 0 0 0 3.3417 -6.9292 0.0000 N 0 0 3 0 0 0 0 0 0 6.9667 -7.0417 0.0000 N 0 0 0 0 0 0 0 0 0 5.4292 -5.1167 0.0000 N 0 3 0 0 0 0 0 0 0 6.5000 -7.4292 0.0000 C 0 0 0 0 0 0 0 0 0 4.3792 -7.5292 0.0000 C 0 0 0 0 0 0 0 0 0 2.8167 -7.2292 0.0000 C 0 0 0 0 0 0 0 0 0 2.2917 -6.9292 0.0000 C 0 0 0 0 0 0 0 0 0 8.0917 -7.4542 0.0000 C 0 0 0 0 0 0 0 0 0 3.5542 -7.7542 0.0000 O 0 0 0 0 0 0 0 0 0 4.1667 -6.7125 0.0000 O 0 0 0 0 0 0 0 0 0 4.8917 -7.2292 0.0000 C 0 0 0 0 0 0 0 0 0 4.9125 -5.4167 0.0000 C 0 0 0 0 0 0 0 0 0 7.7417 -6.6750 0.0000 O 0 0 0 0 0 0 0 0 0 7.3250 -7.8167 0.0000 O 0 0 0 0 0 0 0 0 0 5.9292 -7.2167 0.0000 N 0 0 0 0 0 0 0 0 0 5.9542 -5.4167 0.0000 O 0 5 0 0 0 0 0 0 0 3.3417 -6.3250 0.0000 C 0 0 0 0 0 0 0 0 0 5.4292 -4.5042 0.0000 O 0 0 0 0 0 0 0 0 0 5.4125 -7.5292 0.0000 C 0 0 0 0 0 0 0 0 0 6.4917 -8.0542 0.0000 O 0 0 0 0 0 0 0 0 0 1.7750 -7.2292 0.0000 O 0 0 0 0 0 0 0 0 0 2.2917 -6.3250 0.0000 N 0 0 0 0 0 0 0 0 0 8.1875 -8.0500 0.0000 C 0 0 0 0 0 0 0 0 0 8.5542 -7.0792 0.0000 C 0 0 0 0 0 0 0 0 0 4.9125 -6.0167 0.0000 C 0 0 0 0 0 0 0 0 0 4.3875 -5.1167 0.0000 C 0 0 0 0 0 0 0 0 0 3.8667 -6.0167 0.0000 C 0 0 0 0 0 0 0 0 0 9.2167 -7.8792 0.0000 C 0 0 0 0 0 0 0 0 0 4.3875 -6.3250 0.0000 C 0 0 0 0 0 0 0 0 0 3.8667 -5.4167 0.0000 C 0 0 0 0 0 0 0 0 0 8.7542 -8.2625 0.0000 C 0 0 0 0 0 0 0 0 0 9.1167 -7.2875 0.0000 C 0 0 0 0 0 0 0 0 0 9.7875 -8.0917 0.0000 Cl 0 0 0 0 0 0 0 0 0 1.7750 -6.0167 0.0000 O 0 0 0 0 0 0 0 0 0 4.3792 -8.1250 0.0000 C 0 0 0 0 0 0 0 0 0 4.8917 -8.4250 0.0000 C 0 0 0 0 0 0 0 0 0 5.4125 -8.1250 0.0000 C 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 3 1 1 0 0 0 4 6 1 0 0 0 5 14 1 0 0 0 6 17 1 0 0 0 7 1 1 0 0 0 8 3 1 0 0 0 9 8 1 0 0 0 10 2 1 0 0 0 11 1 2 0 0 0 12 1 2 0 0 0 13 7 1 0 0 0 14 28 1 0 0 0 15 2 2 0 0 0 16 2 2 0 0 0 17 21 1 0 0 0 18 5 1 0 0 0 19 3 1 0 0 0 20 5 2 0 0 0 21 13 2 0 0 0 22 6 2 0 0 0 23 9 2 0 0 0 24 9 1 0 0 0 25 10 2 0 0 0 26 10 1 0 0 0 27 31 1 0 0 0 28 32 2 0 0 0 29 19 1 0 0 0 30 34 1 0 0 0 31 29 2 0 0 0 32 29 1 0 0 0 33 25 1 0 0 0 34 26 2 0 0 0 35 30 1 0 0 0 36 24 1 0 0 0 37 7 2 0 0 0 38 37 1 0 0 0 39 38 2 0 0 0 21 39 1 0 0 0 27 14 2 0 0 0 33 30 2 0 0 0 M CHG 2 5 1 18 -1 M END > 7.67778070526608 > 7.67778070526608 $$$$ 11280715072D 1 1.00000 0.00000 0 34 37 0 0 0 999 V2000 10.5667 -2.6917 0.0000 C 0 0 3 0 0 0 0 0 0 9.8542 -3.1125 0.0000 S 0 0 3 0 0 0 0 0 0 11.2875 -3.0917 0.0000 C 0 0 0 0 0 0 0 0 0 9.8542 -2.2875 0.0000 C 0 0 0 0 0 0 0 0 0 11.2792 -2.2875 0.0000 C 0 0 0 0 0 0 0 0 0 9.1375 -2.7000 0.0000 C 0 0 0 0 0 0 0 0 0 10.5667 -1.0417 0.0000 N 0 0 3 0 0 0 0 0 0 10.4375 -3.6917 0.0000 O 0 0 0 0 0 0 0 0 0 9.2667 -3.6917 0.0000 O 0 0 0 0 0 0 0 0 0 11.3000 -3.9167 0.0000 O 0 0 0 0 0 0 0 0 0 12.7125 1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 11.9917 -2.6750 0.0000 N 0 0 0 0 0 0 0 0 0 11.2792 -1.4625 0.0000 C 0 0 0 0 0 0 0 0 0 9.8542 -1.4625 0.0000 C 0 0 0 0 0 0 0 0 0 9.1375 -1.8667 0.0000 C 0 0 0 0 0 0 0 0 0 8.4167 -3.1125 0.0000 C 0 0 0 0 0 0 0 0 0 10.5667 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 13.4292 1.4250 0.0000 C 0 0 0 0 0 0 0 0 0 12.7125 0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 11.9917 1.4250 0.0000 C 0 0 0 0 0 0 0 0 0 11.2792 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 7.7042 -1.8750 0.0000 C 0 0 0 0 0 0 0 0 0 11.2792 1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 12.0000 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 7.7042 -2.7000 0.0000 C 0 0 0 0 0 0 0 0 0 8.4167 -1.4542 0.0000 C 0 0 0 0 0 0 0 0 0 12.7167 -3.0750 0.0000 O 0 0 0 0 0 0 0 0 0 6.9917 -1.4542 0.0000 O 0 0 0 0 0 0 0 0 0 14.1417 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 13.4250 2.2458 0.0000 C 0 0 0 0 0 0 0 0 0 6.2792 -1.8667 0.0000 C 0 0 0 0 0 0 0 0 0 14.1292 2.6583 0.0000 C 0 0 0 0 0 0 0 0 0 14.8542 1.4208 0.0000 C 0 0 0 0 0 0 0 0 0 14.8542 2.2458 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 1 1 0 0 0 5 1 1 0 0 0 6 2 1 0 0 0 7 13 1 0 0 0 8 2 2 0 0 0 9 2 2 0 0 0 10 3 2 0 0 0 11 19 2 0 0 0 12 3 1 0 0 0 13 5 1 0 0 0 14 4 1 0 0 0 15 6 1 0 0 0 16 6 2 0 0 0 17 7 1 0 0 0 18 11 1 0 0 0 19 24 1 0 0 0 20 23 2 0 0 0 21 17 1 0 0 0 22 25 2 0 0 0 23 21 1 0 0 0 24 21 2 0 0 0 25 16 1 0 0 0 26 15 2 0 0 0 27 12 1 0 0 0 28 22 1 0 0 0 29 18 2 0 0 0 30 18 1 0 0 0 31 28 1 0 0 0 32 30 2 0 0 0 33 29 1 0 0 0 34 32 1 0 0 0 14 7 1 0 0 0 26 22 1 0 0 0 20 11 1 0 0 0 33 34 2 0 0 0 M END > 8.52287874528034 > 5.87614835903291 $$$$ 11280714592D 1 1.00000 0.00000 0 28 29 0 0 0 999 V2000 6.2167 -7.6875 0.0000 S 0 0 3 0 0 0 0 0 0 5.7000 -7.3875 0.0000 N 0 0 0 0 0 0 0 0 0 5.7000 -6.7792 0.0000 C 0 0 0 0 0 0 0 0 0 7.2625 -4.6667 0.0000 N 0 3 0 0 0 0 0 0 0 5.1750 -6.4792 0.0000 N 0 0 3 0 0 0 0 0 0 4.1292 -6.4792 0.0000 C 0 0 0 0 0 0 0 0 0 5.9167 -8.2042 0.0000 O 0 0 0 0 0 0 0 0 0 6.5167 -7.1542 0.0000 O 0 0 0 0 0 0 0 0 0 6.7500 -4.9667 0.0000 C 0 0 0 0 0 0 0 0 0 6.7417 -7.9875 0.0000 C 0 0 0 0 0 0 0 0 0 4.6542 -6.7792 0.0000 C 0 0 0 0 0 0 0 0 0 7.7917 -4.9667 0.0000 O 0 5 0 0 0 0 0 0 0 7.2625 -4.0625 0.0000 O 0 0 0 0 0 0 0 0 0 6.2167 -6.4792 0.0000 O 0 0 0 0 0 0 0 0 0 5.1750 -5.8750 0.0000 C 0 0 0 0 0 0 0 0 0 3.6042 -6.7792 0.0000 O 0 0 0 0 0 0 0 0 0 4.1292 -5.8750 0.0000 N 0 0 0 0 0 0 0 0 0 6.7500 -5.5750 0.0000 C 0 0 0 0 0 0 0 0 0 6.2167 -4.6667 0.0000 C 0 0 0 0 0 0 0 0 0 5.7000 -5.5750 0.0000 C 0 0 0 0 0 0 0 0 0 6.2167 -5.8750 0.0000 C 0 0 0 0 0 0 0 0 0 5.7000 -4.9667 0.0000 C 0 0 0 0 0 0 0 0 0 3.6042 -5.5750 0.0000 O 0 0 0 0 0 0 0 0 0 6.7292 -8.5792 0.0000 C 0 0 0 0 0 0 0 0 0 7.2500 -7.6792 0.0000 C 0 0 0 0 0 0 0 0 0 7.7667 -7.9792 0.0000 C 0 0 0 0 0 0 0 0 0 7.2542 -8.8792 0.0000 C 0 0 0 0 0 0 0 0 0 7.7750 -8.5792 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 9 1 0 0 0 5 3 1 0 0 0 6 11 1 0 0 0 7 1 2 0 0 0 8 1 2 0 0 0 9 19 1 0 0 0 10 1 1 0 0 0 11 5 1 0 0 0 12 4 1 0 0 0 13 4 2 0 0 0 14 3 2 0 0 0 15 5 1 0 0 0 16 6 2 0 0 0 17 6 1 0 0 0 18 21 1 0 0 0 19 22 2 0 0 0 20 15 1 0 0 0 21 20 2 0 0 0 22 20 1 0 0 0 23 17 1 0 0 0 24 10 2 0 0 0 25 10 1 0 0 0 26 25 2 0 0 0 27 24 1 0 0 0 28 26 1 0 0 0 27 28 2 0 0 0 18 9 2 0 0 0 M CHG 2 4 1 12 -1 M END > 7.82390874094432 > 7.82390874094432 $$$$ 11280715412D 1 1.00000 0.00000 0 17 17 0 0 0 999 V2000 5.6125 -2.4417 0.0000 S 0 0 3 0 0 0 0 0 0 5.6125 -1.6167 0.0000 C 0 0 0 0 0 0 0 0 0 6.4375 -2.4417 0.0000 O 0 0 0 0 0 0 0 0 0 4.7875 -2.4417 0.0000 O 0 0 0 0 0 0 0 0 0 5.6125 -3.2667 0.0000 C 0 0 3 0 0 0 0 0 0 4.9000 -1.2042 0.0000 C 0 0 0 0 0 0 0 0 0 6.3292 -1.2042 0.0000 C 0 0 0 0 0 0 0 0 0 5.6125 0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 4.1875 -4.9250 0.0000 S 0 0 0 0 0 0 0 0 0 4.9000 -0.3792 0.0000 C 0 0 0 0 0 0 0 0 0 6.3292 -0.3792 0.0000 C 0 0 0 0 0 0 0 0 0 4.9000 -3.6792 0.0000 C 0 0 0 0 0 0 0 0 0 5.6125 0.8583 0.0000 O 0 0 0 0 0 0 0 0 0 4.9000 -4.5042 0.0000 C 0 0 0 0 0 0 0 0 0 6.3250 -3.6792 0.0000 C 0 0 0 0 0 0 0 0 0 6.3250 1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 6.3250 -4.5042 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 2 0 0 0 4 1 2 0 0 0 5 1 1 0 0 0 6 2 1 0 0 0 7 2 2 0 0 0 8 11 2 0 0 0 9 14 1 0 0 0 10 6 2 0 0 0 11 7 1 0 0 0 12 5 1 0 0 0 13 8 1 0 0 0 14 12 1 0 0 0 15 5 1 0 0 0 16 13 1 0 0 0 17 15 1 0 0 0 8 10 1 0 0 0 M END > 8.39794000867204 > 6.22184874961636 $$$$ 11280715292D 1 1.00000 0.00000 0 27 29 0 1 0 999 V2000 5.5792 -8.5250 0.0000 S 0 0 3 0 0 0 0 0 0 5.5750 -9.3500 0.0000 N 0 0 3 0 0 0 0 0 0 5.5792 -7.7000 0.0000 C 0 0 0 0 0 0 0 0 0 4.8250 -9.6917 0.0000 C 0 0 1 0 0 0 0 0 0 4.9042 -7.2042 0.0000 S 0 0 0 0 0 0 0 0 0 5.1542 -6.4250 0.0000 C 0 0 0 0 0 0 0 0 0 4.1917 -9.1750 0.0000 C 0 0 0 0 0 0 0 0 0 6.2417 -7.2042 0.0000 C 0 0 0 0 0 0 0 0 0 4.6292 -10.5042 0.0000 C 0 0 3 0 0 0 0 0 0 5.9792 -6.4125 0.0000 C 0 0 0 0 0 0 0 0 0 4.7542 -8.5125 0.0000 O 0 0 0 0 0 0 0 0 0 6.4042 -8.5250 0.0000 O 0 0 0 0 0 0 0 0 0 5.1875 -11.1750 0.0000 S 0 0 0 0 0 0 0 0 0 4.6667 -5.7625 0.0000 C 0 0 0 0 0 0 0 0 0 3.8417 -5.8542 0.0000 N 0 0 0 0 0 0 0 0 0 4.1792 -8.3500 0.0000 O 0 0 0 0 0 0 0 0 0 3.4417 -9.5250 0.0000 N 0 0 0 0 0 0 0 0 0 6.3167 -9.7167 0.0000 C 0 0 0 0 0 0 0 0 0 2.7625 -9.0625 0.0000 O 0 0 0 0 0 0 0 0 0 6.4917 -10.5167 0.0000 C 0 0 0 0 0 0 0 0 0 5.9667 -11.1667 0.0000 C 0 0 0 0 0 0 0 0 0 3.8292 -10.2792 0.0000 C 0 0 0 0 0 0 0 0 0 4.0417 -11.0792 0.0000 C 0 0 0 0 0 0 0 0 0 3.3542 -5.1917 0.0000 C 0 0 0 0 0 0 0 0 0 5.0000 -5.0042 0.0000 C 0 0 0 0 0 0 0 0 0 3.6875 -4.4375 0.0000 C 0 0 0 0 0 0 0 0 0 4.5125 -4.3417 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 2 1 0 0 0 5 3 1 0 0 0 6 5 1 0 0 0 4 7 1 6 0 0 8 3 2 0 0 0 9 4 1 0 0 0 10 8 1 0 0 0 11 1 2 0 0 0 12 1 2 0 0 0 13 9 1 0 0 0 14 6 1 0 0 0 15 14 1 0 0 0 16 7 2 0 0 0 17 7 1 0 0 0 18 2 1 0 0 0 19 17 1 0 0 0 20 18 1 0 0 0 21 20 1 0 0 0 22 9 1 0 0 0 23 9 1 0 0 0 24 15 2 0 0 0 25 14 2 0 0 0 26 27 2 0 0 0 27 25 1 0 0 0 6 10 2 0 0 0 21 13 1 0 0 0 26 24 1 0 0 0 M END > 9.69897000433602 > 9 $$$$ 11280715082D 1 1.00000 0.00000 0 31 34 0 0 0 999 V2000 9.4167 -10.1125 0.0000 C 0 0 3 0 0 0 0 0 0 8.7042 -10.5292 0.0000 S 0 0 3 0 0 0 0 0 0 10.1417 -10.5125 0.0000 C 0 0 0 0 0 0 0 0 0 8.7125 -9.7042 0.0000 C 0 0 0 0 0 0 0 0 0 10.1292 -9.7042 0.0000 C 0 0 0 0 0 0 0 0 0 7.9917 -10.1167 0.0000 C 0 0 0 0 0 0 0 0 0 5.8500 -8.8792 0.0000 C 0 0 0 0 0 0 0 0 0 9.4167 -8.4625 0.0000 N 0 0 3 0 0 0 0 0 0 8.1167 -11.1125 0.0000 O 0 0 0 0 0 0 0 0 0 9.2917 -11.1125 0.0000 O 0 0 0 0 0 0 0 0 0 5.0917 -9.2125 0.0000 O 0 0 0 0 0 0 0 0 0 6.5625 -9.2875 0.0000 C 0 0 0 0 0 0 0 0 0 10.1542 -11.3375 0.0000 O 0 0 0 0 0 0 0 0 0 5.7625 -8.0542 0.0000 C 0 0 0 0 0 0 0 0 0 10.8500 -10.0917 0.0000 N 0 0 0 0 0 0 0 0 0 4.5417 -8.6000 0.0000 C 0 0 0 0 0 0 0 0 0 10.1292 -8.8792 0.0000 C 0 0 0 0 0 0 0 0 0 8.7125 -8.8792 0.0000 C 0 0 0 0 0 0 0 0 0 4.9542 -7.8875 0.0000 C 0 0 0 0 0 0 0 0 0 7.9917 -9.2875 0.0000 C 0 0 0 0 0 0 0 0 0 7.2750 -10.5292 0.0000 C 0 0 0 0 0 0 0 0 0 7.2750 -8.8750 0.0000 C 0 0 0 0 0 0 0 0 0 6.5625 -10.1167 0.0000 C 0 0 0 0 0 0 0 0 0 9.4167 -7.6375 0.0000 C 0 0 0 0 0 0 0 0 0 10.1375 -7.2250 0.0000 C 0 0 0 0 0 0 0 0 0 11.5667 -10.4917 0.0000 O 0 0 0 0 0 0 0 0 0 10.1292 -6.4042 0.0000 C 0 0 0 0 0 0 0 0 0 10.8500 -7.6417 0.0000 C 0 0 0 0 0 0 0 0 0 11.5625 -7.2292 0.0000 C 0 0 0 0 0 0 0 0 0 10.8417 -5.9917 0.0000 C 0 0 0 0 0 0 0 0 0 11.5667 -6.4000 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 1 1 0 0 0 5 1 1 0 0 0 6 2 1 0 0 0 7 12 1 0 0 0 8 17 1 0 0 0 9 2 2 0 0 0 10 2 2 0 0 0 11 7 1 0 0 0 12 23 2 0 0 0 13 3 2 0 0 0 14 7 2 0 0 0 15 3 1 0 0 0 16 11 1 0 0 0 17 5 1 0 0 0 18 4 1 0 0 0 19 14 1 0 0 0 20 6 1 0 0 0 21 6 2 0 0 0 22 20 2 0 0 0 23 21 1 0 0 0 24 8 1 0 0 0 25 24 1 0 0 0 26 15 1 0 0 0 27 25 1 0 0 0 28 25 2 0 0 0 29 28 1 0 0 0 30 27 2 0 0 0 31 29 2 0 0 0 18 8 1 0 0 0 22 12 1 0 0 0 30 31 1 0 0 0 19 16 2 0 0 0 M END > 9 > 7.39794000867204 $$$$ 11280715532D 1 1.00000 0.00000 0 30 31 0 0 0 999 V2000 11.5142 -2.0252 0.0000 C 0 0 0 0 0 0 0 0 0 11.5142 -2.8545 0.0000 C 0 0 0 0 0 0 0 0 0 12.2285 -3.2668 0.0000 N 0 0 3 0 0 0 0 0 0 12.9472 -2.8545 0.0000 C 0 0 0 0 0 0 0 0 0 12.9472 -2.0252 0.0000 C 0 0 0 0 0 0 0 0 0 12.2285 -1.6082 0.0000 C 0 0 3 0 0 0 0 0 0 11.5097 -1.1959 0.0000 C 0 0 0 0 0 0 0 0 0 12.9388 -1.1890 0.0000 C 0 0 0 0 0 0 0 0 0 12.9309 -0.3643 0.0000 S 0 0 3 0 0 0 0 0 0 12.9255 0.4627 0.0000 C 0 0 0 0 0 0 0 0 0 12.1061 -0.3710 0.0000 O 0 0 0 0 0 0 0 0 0 13.7556 -0.3601 0.0000 O 0 0 0 0 0 0 0 0 0 11.5074 -0.3711 0.0000 O 0 0 0 0 0 0 0 0 0 10.7966 -1.6102 0.0000 N 0 0 0 0 0 0 0 0 0 10.0811 -1.1998 0.0000 O 0 0 0 0 0 0 0 0 0 13.6413 0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 13.6364 1.7056 0.0000 C 0 0 0 0 0 0 0 0 0 12.9168 2.1152 0.0000 C 0 0 0 0 0 0 0 0 0 12.2008 1.6925 0.0000 C 0 0 0 0 0 0 0 0 0 12.2094 0.8675 0.0000 C 0 0 0 0 0 0 0 0 0 12.9103 2.9399 0.0000 O 0 0 0 0 0 0 0 0 0 13.6213 3.3579 0.0000 C 0 0 0 0 0 0 0 0 0 13.6148 4.1826 0.0000 C 0 0 0 0 0 0 0 0 0 13.6081 5.0080 0.0000 C 0 0 0 0 0 0 0 0 0 13.6014 5.8327 0.0000 C 0 0 0 0 0 0 0 0 0 12.2273 -4.0916 0.0000 C 0 0 0 0 0 0 0 0 0 11.5125 -4.5029 0.0000 C 0 0 0 0 0 0 0 0 0 12.9410 -4.5049 0.0000 O 0 0 0 0 0 0 0 0 0 11.5113 -5.3277 0.0000 C 0 0 0 0 0 0 0 0 0 10.7966 -5.7391 0.0000 C 0 0 0 0 0 0 0 0 0 14 15 1 0 0 0 1 2 1 0 0 0 10 16 2 0 0 0 6 8 1 0 0 0 16 17 1 0 0 0 1 6 1 0 0 0 17 18 2 0 0 0 8 9 1 0 0 0 18 19 1 0 0 0 2 3 1 0 0 0 19 20 2 0 0 0 20 10 1 0 0 0 9 10 1 0 0 0 18 21 1 0 0 0 3 4 1 0 0 0 21 22 1 0 0 0 9 11 2 0 0 0 22 23 1 0 0 0 4 5 1 0 0 0 23 24 3 0 0 0 9 12 2 0 0 0 24 25 1 0 0 0 5 6 1 0 0 0 3 26 1 0 0 0 7 13 2 0 0 0 26 27 1 0 0 0 26 28 2 0 0 0 7 14 1 0 0 0 27 29 1 0 0 0 6 7 1 0 0 0 29 30 1 0 0 0 M END > 7.61978875828839 > 5.38195190328791 $$$$ 11280714532D 1 1.00000 0.00000 0 36 39 0 0 0 999 V2000 4.2542 0.5375 0.0000 S 0 0 3 0 0 0 0 0 0 3.5417 0.1208 0.0000 N 0 0 3 0 0 0 0 0 0 3.5500 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 2.8375 -1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 4.2667 -1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 4.2667 -1.9417 0.0000 C 0 0 0 0 0 0 0 0 0 3.5500 -2.3625 0.0000 N 0 0 0 0 0 0 0 0 0 2.1250 -0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 2.8375 -1.9500 0.0000 C 0 0 0 0 0 0 0 0 0 4.9667 0.9458 0.0000 C 0 0 0 0 0 0 0 0 0 4.9792 -2.3542 0.0000 C 0 0 0 0 0 0 0 0 0 4.6625 -0.1750 0.0000 O 0 0 0 0 0 0 0 0 0 3.8375 1.2583 0.0000 O 0 0 0 0 0 0 0 0 0 2.8250 0.5250 0.0000 C 0 0 0 0 0 0 0 0 0 2.1250 0.1125 0.0000 O 0 0 0 0 0 0 0 0 0 1.4042 -1.1250 0.0000 N 0 0 0 0 0 0 0 0 0 5.6792 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 4.9792 1.7625 0.0000 C 0 0 0 0 0 0 0 0 0 4.9792 -3.1792 0.0000 C 0 0 3 0 0 0 0 0 0 4.9750 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 6.4042 1.7458 0.0000 C 0 0 0 0 0 0 0 0 0 2.8167 1.3500 0.0000 C 0 0 0 0 0 0 0 0 0 6.4000 0.9208 0.0000 C 0 0 0 0 0 0 0 0 0 5.6917 2.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0.6917 -0.7125 0.0000 O 0 0 0 0 0 0 0 0 0 5.6917 -1.9417 0.0000 C 0 0 0 0 0 0 0 0 0 7.1292 2.1500 0.0000 O 0 0 0 0 0 0 0 0 0 5.6917 -1.1125 0.0000 C 0 0 0 0 0 0 0 0 0 5.7000 -3.5917 0.0000 C 0 0 0 0 0 0 0 0 0 4.2667 -3.5917 0.0000 C 0 0 0 0 0 0 0 0 0 3.5292 1.7708 0.0000 C 0 0 0 0 0 0 0 0 0 2.1042 1.7583 0.0000 C 0 0 0 0 0 0 0 0 0 7.8375 1.7333 0.0000 C 0 0 0 0 0 0 0 0 0 2.0917 2.5833 0.0000 C 0 0 0 0 0 0 0 0 0 3.5292 2.5875 0.0000 C 0 0 0 0 0 0 0 0 0 2.8042 2.9958 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 3 2 0 0 0 6 5 1 0 0 0 7 6 2 0 0 0 8 4 1 0 0 0 9 4 2 0 0 0 10 1 1 0 0 0 11 6 1 0 0 0 12 1 2 0 0 0 13 1 2 0 0 0 14 2 1 0 0 0 15 8 2 0 0 0 16 8 1 0 0 0 17 10 2 0 0 0 18 10 1 0 0 0 19 11 1 0 0 0 20 5 1 0 0 0 21 24 1 0 0 0 22 14 1 0 0 0 23 17 1 0 0 0 24 18 2 0 0 0 25 16 1 0 0 0 26 28 1 0 0 0 27 21 1 0 0 0 28 20 2 0 0 0 29 19 1 0 0 0 30 19 1 0 0 0 31 22 2 0 0 0 32 22 1 0 0 0 33 27 1 0 0 0 34 32 2 0 0 0 35 31 1 0 0 0 36 34 1 0 0 0 21 23 2 0 0 0 7 9 1 0 0 0 36 35 2 0 0 0 26 11 2 0 0 0 M END > 8.04575749056067 > 6.46344155742847 $$$$ 11280715232D 1 1.00000 0.00000 0 28 29 0 0 0 999 V2000 4.9792 -3.5792 0.0000 S 0 0 3 0 0 0 0 0 0 4.2792 -3.1667 0.0000 N 0 0 3 0 0 0 0 0 0 7.1000 -0.7292 0.0000 N 0 3 0 0 0 0 0 0 0 3.5750 -3.5792 0.0000 C 0 0 3 0 0 0 0 0 0 2.8667 -3.1667 0.0000 C 0 0 0 0 0 0 0 0 0 5.7042 -3.9667 0.0000 C 0 0 0 0 0 0 0 0 0 5.6875 -2.8542 0.0000 O 0 0 0 0 0 0 0 0 0 4.2417 -4.3000 0.0000 O 0 0 0 0 0 0 0 0 0 6.4000 -1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 4.2792 -2.3542 0.0000 C 0 0 0 0 0 0 0 0 0 7.8042 -1.1375 0.0000 O 0 5 0 0 0 0 0 0 0 7.1000 0.0833 0.0000 O 0 0 0 0 0 0 0 0 0 2.1667 -3.5792 0.0000 O 0 0 0 0 0 0 0 0 0 2.8667 -2.3542 0.0000 N 0 0 0 0 0 0 0 0 0 6.3875 -3.5417 0.0000 C 0 0 0 0 0 0 0 0 0 5.7042 -4.7792 0.0000 C 0 0 0 0 0 0 0 0 0 5.6875 -0.7292 0.0000 C 0 0 0 0 0 0 0 0 0 6.4000 -1.9500 0.0000 C 0 0 0 0 0 0 0 0 0 4.9792 -1.9500 0.0000 C 0 0 0 0 0 0 0 0 0 7.1292 -4.7417 0.0000 C 0 0 0 0 0 0 0 0 0 5.6917 -2.3542 0.0000 C 0 0 0 0 0 0 0 0 0 4.9792 -1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 6.4292 -5.1667 0.0000 C 0 0 0 0 0 0 0 0 0 7.1000 -3.9292 0.0000 C 0 0 0 0 0 0 0 0 0 3.5750 -4.3917 0.0000 C 0 0 0 0 0 0 0 0 0 2.1667 -1.9500 0.0000 O 0 0 0 0 0 0 0 0 0 7.8375 -5.1375 0.0000 O 0 0 0 0 0 0 0 0 0 7.8625 -5.9500 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 9 1 0 0 0 4 2 1 0 0 0 5 4 1 0 0 0 6 1 1 0 0 0 7 1 2 0 0 0 8 1 2 0 0 0 9 17 1 0 0 0 10 2 1 0 0 0 11 3 1 0 0 0 12 3 2 0 0 0 13 5 2 0 0 0 14 5 1 0 0 0 15 6 1 0 0 0 16 6 2 0 0 0 17 22 2 0 0 0 18 21 1 0 0 0 19 10 1 0 0 0 20 23 2 0 0 0 21 19 2 0 0 0 22 19 1 0 0 0 23 16 1 0 0 0 24 15 2 0 0 0 25 4 1 0 0 0 26 14 1 0 0 0 27 20 1 0 0 0 28 27 1 0 0 0 24 20 1 0 0 0 18 9 2 0 0 0 M CHG 2 3 1 11 -1 M END > 7.67778070526608 > 7.67778070526608 $$$$ 11280715232D 1 1.00000 0.00000 0 30 31 0 0 0 999 V2000 5.1125 -3.0667 0.0000 S 0 0 3 0 0 0 0 0 0 5.8292 -3.4542 0.0000 C 0 0 0 0 0 0 0 0 0 4.4167 -2.6625 0.0000 N 0 0 3 0 0 0 0 0 0 5.8417 -4.2750 0.0000 C 0 0 0 0 0 0 0 0 0 6.5167 -3.0375 0.0000 C 0 0 0 0 0 0 0 0 0 7.2292 -3.4167 0.0000 C 0 0 0 0 0 0 0 0 0 6.5625 -4.6625 0.0000 C 0 0 0 0 0 0 0 0 0 7.2542 -4.2417 0.0000 C 0 0 0 0 0 0 0 0 0 3.7042 -3.0667 0.0000 C 0 0 3 0 0 0 0 0 0 3.0042 -2.6625 0.0000 C 0 0 0 0 0 0 0 0 0 5.8167 -2.3417 0.0000 O 0 0 0 0 0 0 0 0 0 4.3750 -3.7792 0.0000 O 0 0 0 0 0 0 0 0 0 4.4167 -1.8500 0.0000 C 0 0 0 0 0 0 0 0 0 2.2917 -3.0667 0.0000 O 0 0 0 0 0 0 0 0 0 6.5000 -2.2167 0.0000 F 0 0 0 0 0 0 0 0 0 5.1417 -4.6875 0.0000 F 0 0 0 0 0 0 0 0 0 3.0042 -1.8500 0.0000 N 0 0 0 0 0 0 0 0 0 6.5792 -5.4792 0.0000 F 0 0 0 0 0 0 0 0 0 7.9250 -2.9917 0.0000 F 0 0 0 0 0 0 0 0 0 7.9667 -4.6292 0.0000 F 0 0 0 0 0 0 0 0 0 3.7042 -3.8792 0.0000 C 0 0 3 0 0 0 0 0 0 5.1125 -1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 2.2917 -1.4417 0.0000 O 0 0 0 0 0 0 0 0 0 3.0042 -4.2917 0.0000 C 0 0 0 0 0 0 0 0 0 3.9167 -4.6667 0.0000 C 0 0 0 0 0 0 0 0 0 5.1125 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 5.8250 -1.8500 0.0000 C 0 0 0 0 0 0 0 0 0 6.5292 -1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 5.8167 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 6.5292 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 2 2 0 0 0 5 2 1 0 0 0 6 5 2 0 0 0 7 4 1 0 0 0 8 6 1 0 0 0 9 3 1 0 0 0 10 9 1 0 0 0 11 1 2 0 0 0 12 1 2 0 0 0 13 3 1 0 0 0 14 10 2 0 0 0 15 5 1 0 0 0 16 4 1 0 0 0 17 10 1 0 0 0 18 7 1 0 0 0 19 6 1 0 0 0 20 8 1 0 0 0 21 9 1 0 0 0 22 13 1 0 0 0 23 17 1 0 0 0 24 21 1 0 0 0 25 21 1 0 0 0 26 22 1 0 0 0 27 22 2 0 0 0 28 27 1 0 0 0 29 26 2 0 0 0 30 28 2 0 0 0 7 8 2 0 0 0 30 29 1 0 0 0 M END > 8.30102999566398 > 8.30102999566398 $$$$ 11280715172D 1 1.00000 0.00000 0 30 31 0 0 0 999 V2000 2.1792 -0.8625 0.0000 S 0 0 3 0 0 0 0 0 0 1.5792 -0.8542 0.0000 N 0 0 3 0 0 0 0 0 0 1.2792 -1.3667 0.0000 C 0 0 3 0 0 0 0 0 0 1.5750 -1.8875 0.0000 C 0 0 0 0 0 0 0 0 0 2.1792 -0.2625 0.0000 C 0 0 0 0 0 0 0 0 0 2.1792 -1.4625 0.0000 O 0 0 0 0 0 0 0 0 0 2.7792 -0.8625 0.0000 O 0 0 0 0 0 0 0 0 0 1.1542 -0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 2.1542 -2.0417 0.0000 O 0 0 0 0 0 0 0 0 0 1.4167 -2.4667 0.0000 N 0 0 0 0 0 0 0 0 0 0.6917 -1.5250 0.0000 C 0 0 0 0 0 0 0 0 0 1.6625 0.0375 0.0000 C 0 0 0 0 0 0 0 0 0 2.7000 0.0375 0.0000 C 0 0 0 0 0 0 0 0 0 2.1792 0.9458 0.0000 C 0 0 0 0 0 0 0 0 0 2.7000 0.6458 0.0000 C 0 0 0 0 0 0 0 0 0 1.6625 0.6458 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2083 -2.0375 0.0000 S 0 0 0 0 0 0 0 0 0 2.1750 1.5458 0.0000 Br 0 0 0 0 0 0 0 0 0 1.4125 -3.0667 0.0000 O 0 0 0 0 0 0 0 0 0 -1.0958 -2.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0.5542 -0.4250 0.0000 C 0 0 3 0 0 0 0 0 0 0.3917 -2.0417 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5125 -2.5542 0.0000 C 0 0 0 0 0 0 0 0 0 -1.2583 -3.2875 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5208 -2.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0.1292 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0.1292 -0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 -2.1083 -2.4292 0.0000 C 0 0 0 0 0 0 0 0 0 -1.8333 -3.4417 0.0000 C 0 0 0 0 0 0 0 0 0 -2.2625 -3.0125 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 1 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 2 1 0 0 0 9 4 2 0 0 0 10 4 1 0 0 0 11 3 1 0 0 0 12 5 1 0 0 0 13 5 2 0 0 0 14 15 2 0 0 0 15 13 1 0 0 0 16 12 2 0 0 0 17 22 1 0 0 0 18 14 1 0 0 0 19 10 1 0 0 0 20 23 1 0 0 0 21 8 1 0 0 0 22 11 1 0 0 0 23 17 1 0 0 0 24 20 1 0 0 0 25 20 2 0 0 0 26 21 1 0 0 0 27 21 1 0 0 0 28 25 1 0 0 0 29 24 2 0 0 0 30 28 2 0 0 0 16 14 1 0 0 0 30 29 1 0 0 0 M END > 7.85387196432176 > 6.7851561519523 $$$$ CDK 9/16/09,9:58 32 34 0 0 0 0 0 0 0 0999 V2000 13.1912 -16.1110 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.9061 -15.6993 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 14.6172 -15.2981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4981 -14.9822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3217 -16.4120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3197 -15.7162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0302 -15.3157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0388 -14.4985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3309 -14.0835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6232 -14.4863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7568 -14.0922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7639 -13.2672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4819 -12.8609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1952 -12.4563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9127 -12.0492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4883 -17.3530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4871 -18.1805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2000 -18.5935 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1981 -16.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9163 -17.3489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9174 -18.1763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6333 -18.5873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3486 -18.1721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3435 -17.3415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6271 -16.9343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4779 -15.7059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7735 -16.9410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7729 -16.1160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0594 -17.3542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3446 -16.9422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6352 -19.4123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9218 -19.8266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16 17 2 0 0 0 0 8 9 1 0 0 0 0 17 18 1 0 0 0 0 18 21 2 0 0 0 0 2 5 2 0 0 0 0 20 19 2 0 0 0 0 19 16 1 0 0 0 0 9 10 2 0 0 0 0 10 3 1 0 0 0 0 20 21 1 0 0 0 0 2 3 1 0 0 0 0 21 22 1 0 0 0 0 8 11 1 0 0 0 0 22 23 2 0 0 0 0 3 6 2 0 0 0 0 23 24 1 0 0 0 0 11 12 1 0 0 0 0 24 25 2 0 0 0 0 25 20 1 0 0 0 0 19 1 1 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 12 13 1 0 0 0 0 16 27 1 0 0 0 0 6 7 1 0 0 0 0 27 28 2 0 0 0 0 13 14 3 0 0 0 0 27 29 1 0 0 0 0 2 4 2 0 0 0 0 29 30 1 0 0 0 0 14 15 1 0 0 0 0 22 31 1 0 0 0 0 7 8 2 0 0 0 0 31 32 1 0 0 0 0 M END > 8.04575749056067 > 6.0670191780768 $$$$ 11280715002D 1 1.00000 0.00000 0 32 34 0 0 0 999 V2000 5.3042 -7.2250 0.0000 S 0 0 3 0 0 0 0 0 0 4.7792 -6.9250 0.0000 N 0 0 3 0 0 0 0 0 0 5.8250 -7.5250 0.0000 C 0 0 0 0 0 0 0 0 0 6.8667 -5.1125 0.0000 N 0 3 0 0 0 0 0 0 0 6.3417 -7.2167 0.0000 C 0 0 0 0 0 0 0 0 0 4.2542 -7.2250 0.0000 C 0 0 0 0 0 0 0 0 0 6.8667 -7.5167 0.0000 C 0 0 0 0 0 0 0 0 0 3.7375 -6.9250 0.0000 C 0 0 0 0 0 0 0 0 0 7.3875 -7.2125 0.0000 C 0 0 0 0 0 0 0 0 0 5.0042 -7.7417 0.0000 O 0 0 0 0 0 0 0 0 0 5.6125 -6.7042 0.0000 O 0 0 0 0 0 0 0 0 0 6.3542 -5.4125 0.0000 C 0 0 0 0 0 0 0 0 0 7.4000 -5.4125 0.0000 O 0 5 0 0 0 0 0 0 0 4.7792 -6.3167 0.0000 C 0 0 0 0 0 0 0 0 0 6.8667 -4.5042 0.0000 O 0 0 0 0 0 0 0 0 0 7.9167 -7.5167 0.0000 N 0 0 3 0 0 0 0 0 0 3.2167 -7.2250 0.0000 O 0 0 0 0 0 0 0 0 0 3.7375 -6.3167 0.0000 N 0 0 0 0 0 0 0 0 0 6.3542 -6.0167 0.0000 C 0 0 0 0 0 0 0 0 0 5.8250 -5.1125 0.0000 C 0 0 0 0 0 0 0 0 0 5.3042 -6.0167 0.0000 C 0 0 0 0 0 0 0 0 0 5.8250 -8.1292 0.0000 C 0 0 0 0 0 0 0 0 0 5.3042 -5.4125 0.0000 C 0 0 0 0 0 0 0 0 0 5.8250 -6.3167 0.0000 C 0 0 0 0 0 0 0 0 0 6.3417 -6.6167 0.0000 C 0 0 0 0 0 0 0 0 0 6.8667 -8.1167 0.0000 C 0 0 0 0 0 0 0 0 0 3.2167 -6.0167 0.0000 O 0 0 0 0 0 0 0 0 0 7.3875 -6.6167 0.0000 C 0 0 0 0 0 0 0 0 0 6.3500 -8.4292 0.0000 C 0 0 0 0 0 0 0 0 0 6.8542 -6.3167 0.0000 C 0 0 0 0 0 0 0 0 0 7.9167 -8.1167 0.0000 C 0 0 0 0 0 0 0 0 0 8.4292 -7.2125 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 12 1 0 0 0 5 3 1 0 0 0 6 2 1 0 0 0 7 5 1 0 0 0 8 6 1 0 0 0 9 7 2 0 0 0 10 1 2 0 0 0 11 1 2 0 0 0 12 19 2 0 0 0 13 4 1 0 0 0 14 2 1 0 0 0 15 4 2 0 0 0 16 9 1 0 0 0 17 8 2 0 0 0 18 8 1 0 0 0 19 24 1 0 0 0 20 23 2 0 0 0 21 14 1 0 0 0 22 3 2 0 0 0 23 21 1 0 0 0 24 21 2 0 0 0 25 5 2 0 0 0 26 29 2 0 0 0 27 18 1 0 0 0 28 30 2 0 0 0 29 22 1 0 0 0 30 25 1 0 0 0 31 16 1 0 0 0 32 16 1 0 0 0 7 26 1 0 0 0 9 28 1 0 0 0 20 12 1 0 0 0 M CHG 2 4 1 13 -1 M END > 7.92081875395237 > 7.92081875395237 $$$$ 11280715192D 1 1.00000 0.00000 0 29 31 0 1 0 999 V2000 8.9042 -3.0667 0.0000 S 0 0 3 0 0 0 0 0 0 4.1542 -0.8000 0.0000 N 0 0 0 0 0 0 0 0 0 5.4542 -1.5542 0.0000 C 0 0 0 0 0 0 0 0 0 6.3167 -1.5542 0.0000 N 0 0 0 0 0 0 0 0 0 5.0167 -0.8042 0.0000 N 0 0 0 0 0 0 0 0 0 8.0417 -3.0667 0.0000 N 0 0 0 0 0 0 0 0 0 6.7417 -2.3125 0.0000 C 0 0 0 0 0 0 0 0 0 7.6125 -2.3167 0.0000 C 0 0 1 0 0 0 0 0 0 3.7167 -1.5417 0.0000 C 0 0 0 0 0 0 0 0 0 5.0125 -2.3042 0.0000 S 0 0 0 0 0 0 0 0 0 8.9042 -2.2042 0.0000 O 0 0 0 0 0 0 0 0 0 9.7667 -3.0667 0.0000 O 0 0 0 0 0 0 0 0 0 8.9167 -3.8917 0.0000 C 0 0 0 0 0 0 0 0 0 2.8542 -1.5417 0.0000 C 0 0 0 0 0 0 0 0 0 4.1500 -2.3000 0.0000 C 0 0 0 0 0 0 0 0 0 6.3042 -3.0542 0.0000 O 0 0 0 0 0 0 0 0 0 2.4250 -2.2875 0.0000 C 0 0 0 0 0 0 0 0 0 2.4250 -0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 1.1250 -1.5375 0.0000 C 0 0 0 0 0 0 0 0 0 1.5542 -0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 1.5542 -2.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0.2542 -1.5292 0.0000 Br 0 0 0 0 0 0 0 0 0 7.6042 -1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 8.2042 -4.3167 0.0000 C 0 0 0 0 0 0 0 0 0 9.6375 -4.2917 0.0000 C 0 0 0 0 0 0 0 0 0 9.6500 -5.1167 0.0000 C 0 0 0 0 0 0 0 0 0 8.2167 -5.1375 0.0000 C 0 0 0 0 0 0 0 0 0 8.9375 -5.5417 0.0000 C 0 0 0 0 0 0 0 0 0 8.4417 -2.0875 0.0000 H 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 3 4 1 0 0 0 4 7 1 0 0 0 5 3 2 0 0 0 6 1 1 0 0 0 7 8 1 0 0 0 8 6 1 0 0 0 9 15 1 0 0 0 10 3 1 0 0 0 11 1 2 0 0 0 12 1 2 0 0 0 13 1 1 0 0 0 14 9 1 0 0 0 15 10 1 0 0 0 16 7 2 0 0 0 17 14 1 0 0 0 18 14 2 0 0 0 19 20 2 0 0 0 20 18 1 0 0 0 21 17 2 0 0 0 22 19 1 0 0 0 8 23 1 1 0 0 24 13 2 0 0 0 25 13 1 0 0 0 26 25 2 0 0 0 27 24 1 0 0 0 28 26 1 0 0 0 8 29 1 6 0 0 27 28 2 0 0 0 2 9 2 0 0 0 21 19 1 0 0 0 M END > 6.88605664769316 > 6.3767507096021 $$$$ 11290715552D 1 1.00000 0.00000 0 28 29 0 1 0 999 V2000 13.7804 -6.6232 0.0000 N 0 0 0 0 0 0 0 0 0 14.4914 -6.2047 0.0000 C 0 0 1 0 0 0 0 0 0 14.4845 -5.3797 0.0000 C 0 0 3 0 0 0 0 0 0 15.1955 -4.9613 0.0000 C 0 0 0 0 0 0 0 0 0 13.7666 -4.9732 0.0000 C 0 0 0 0 0 0 0 0 0 15.2093 -6.6112 0.0000 P 0 0 3 0 0 0 0 0 0 15.7917 -7.1917 0.0000 O 0 0 0 0 0 0 0 0 0 15.7082 -5.9542 0.0000 O 0 0 0 0 0 0 0 0 0 14.7133 -7.2705 0.0000 O 0 0 0 0 0 0 0 0 0 13.0625 -6.2167 0.0000 S 0 0 3 0 0 0 0 0 0 12.3458 -5.8042 0.0000 C 0 0 0 0 0 0 0 0 0 12.6535 -6.9331 0.0000 O 0 0 0 0 0 0 0 0 0 13.4732 -5.5012 0.0000 O 0 0 0 0 0 0 0 0 0 12.3475 -4.9720 0.0000 C 0 0 0 0 0 0 0 0 0 11.6317 -4.5596 0.0000 C 0 0 0 0 0 0 0 0 0 10.9151 -4.9740 0.0000 C 0 0 0 0 0 0 0 0 0 10.9189 -5.8052 0.0000 C 0 0 0 0 0 0 0 0 0 11.6353 -6.2139 0.0000 C 0 0 0 0 0 0 0 0 0 10.1996 -4.5634 0.0000 C 0 0 0 0 0 0 0 0 0 10.1997 -3.7342 0.0000 C 0 0 0 0 0 0 0 0 0 9.4850 -3.3236 0.0000 C 0 0 0 0 0 0 0 0 0 8.7706 -3.7381 0.0000 C 0 0 0 0 0 0 0 0 0 8.7755 -4.5673 0.0000 C 0 0 0 0 0 0 0 0 0 9.4908 -4.9741 0.0000 C 0 0 0 0 0 0 0 0 0 8.0545 -3.3284 0.0000 O 0 0 0 0 0 0 0 0 0 8.0512 -2.5034 0.0000 C 0 0 3 0 0 0 0 0 0 8.7641 -2.0881 0.0000 C 0 0 0 0 0 0 0 0 0 7.3351 -2.0938 0.0000 C 0 0 0 0 0 0 0 0 0 3 4 1 0 0 0 14 15 1 0 0 0 6 8 1 0 0 0 15 16 2 0 0 0 16 17 1 0 0 0 6 9 1 0 0 0 17 18 2 0 0 0 18 11 1 0 0 0 3 5 1 0 0 0 16 19 1 0 0 0 1 10 1 0 0 0 19 20 2 0 0 0 2 3 1 1 0 0 20 21 1 0 0 0 10 11 1 0 0 0 21 22 2 0 0 0 2 6 1 0 0 0 22 23 1 0 0 0 10 12 2 0 0 0 23 24 2 0 0 0 24 19 1 0 0 0 1 2 1 0 0 0 22 25 1 0 0 0 10 13 2 0 0 0 25 26 1 0 0 0 6 7 2 0 0 0 26 27 1 0 0 0 11 14 2 0 0 0 26 28 1 0 0 0 M END > 8.3767507096021 > 6.22184874961636 $$$$ 11280715332D 1 1.00000 0.00000 0 31 33 0 1 0 999 V2000 5.4542 -2.8000 0.0000 S 0 0 3 0 0 0 0 0 0 5.7417 -3.5792 0.0000 N 0 0 3 0 0 0 0 0 0 5.2167 -4.2125 0.0000 C 0 0 1 0 0 0 0 0 0 4.3917 -4.1667 0.0000 C 0 0 0 0 0 0 0 0 0 6.5042 -3.8875 0.0000 C 0 0 0 0 0 0 0 0 0 6.4500 -4.7125 0.0000 C 0 0 0 0 0 0 0 0 0 5.6542 -4.9042 0.0000 C 0 0 0 0 0 0 0 0 0 6.2375 -2.5125 0.0000 C 0 0 0 0 0 0 0 0 0 7.0750 -5.2500 0.0000 N 0 0 0 0 0 0 0 0 0 5.1667 -2.0167 0.0000 O 0 0 0 0 0 0 0 0 0 4.6792 -3.0875 0.0000 O 0 0 0 0 0 0 0 0 0 4.0167 -3.4292 0.0000 O 0 0 0 0 0 0 0 0 0 7.8500 -4.9792 0.0000 O 0 0 0 0 0 0 0 0 0 3.9375 -4.8625 0.0000 N 0 0 0 0 0 0 0 0 0 10.4542 -3.2542 0.0000 N 0 0 0 0 0 0 0 0 0 8.4792 -5.5167 0.0000 C 0 0 3 0 0 0 0 0 0 6.8667 -3.0375 0.0000 C 0 0 0 0 0 0 0 0 0 6.3792 -1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 8.5667 -1.6625 0.0000 O 0 0 0 0 0 0 0 0 0 9.2000 -2.1917 0.0000 C 0 0 0 0 0 0 0 0 0 7.7792 -1.9417 0.0000 C 0 0 0 0 0 0 0 0 0 7.1500 -1.4167 0.0000 C 0 0 0 0 0 0 0 0 0 7.6375 -2.7542 0.0000 C 0 0 0 0 0 0 0 0 0 3.1125 -4.8167 0.0000 O 0 0 0 0 0 0 0 0 0 9.0542 -3.0042 0.0000 C 0 0 0 0 0 0 0 0 0 9.9750 -1.9167 0.0000 C 0 0 0 0 0 0 0 0 0 10.6042 -2.4500 0.0000 C 0 0 0 0 0 0 0 0 0 9.6792 -3.5292 0.0000 C 0 0 0 0 0 0 0 0 0 9.1042 -6.0542 0.0000 C 0 0 0 0 0 0 0 0 0 7.9417 -6.1417 0.0000 C 0 0 0 0 0 0 0 0 0 9.0167 -4.8875 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 2 1 0 0 0 6 5 1 0 0 0 3 7 1 6 0 0 8 1 1 0 0 0 9 6 2 0 0 0 10 1 2 0 0 0 11 1 2 0 0 0 12 4 2 0 0 0 13 9 1 0 0 0 14 4 1 0 0 0 15 27 1 0 0 0 16 13 1 0 0 0 17 8 2 0 0 0 18 8 1 0 0 0 19 21 1 0 0 0 20 19 1 0 0 0 21 22 1 0 0 0 22 18 2 0 0 0 23 17 1 0 0 0 24 14 1 0 0 0 25 20 2 0 0 0 26 20 1 0 0 0 27 26 2 0 0 0 28 25 1 0 0 0 29 16 1 0 0 0 30 16 1 0 0 0 31 16 1 0 0 0 21 23 2 0 0 0 6 7 1 0 0 0 15 28 2 0 0 0 M END > 9.39794000867204 > 7.58502665202918 $$$$ 11280715512D 1 1.00000 0.00000 0 27 28 0 1 0 999 V2000 -1.8753 -2.5235 0.0000 C 0 0 0 0 0 0 0 0 0 -1.8765 -3.3503 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1621 -3.7630 0.0000 C 0 0 0 0 0 0 0 0 0 -0.4460 -3.3499 0.0000 C 0 0 0 0 0 0 0 0 0 -0.4489 -2.5198 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1639 -2.1110 0.0000 C 0 0 0 0 0 0 0 0 0 -2.5951 -3.7746 0.0000 S 0 0 3 0 0 0 0 0 0 -3.3188 -4.1975 0.0000 N 0 0 3 0 0 0 0 0 0 -2.1698 -4.4949 0.0000 O 0 0 0 0 0 0 0 0 0 -3.0226 -3.0532 0.0000 O 0 0 0 0 0 0 0 0 0 -4.0429 -3.7919 0.0000 C 0 0 2 0 0 0 0 0 0 -4.7521 -4.2114 0.0000 C 0 0 3 0 0 0 0 0 0 -4.7435 -5.0422 0.0000 S 0 0 0 0 0 0 0 0 0 -4.0111 -5.4438 0.0000 C 0 0 0 0 0 0 0 0 0 -3.3041 -5.0268 0.0000 C 0 0 0 0 0 0 0 0 0 -4.0580 -2.9675 0.0000 C 0 0 0 0 0 0 0 0 0 -3.3557 -2.5430 0.0000 O 0 0 0 0 0 0 0 0 0 -4.7837 -2.5633 0.0000 N 0 0 0 0 0 0 0 0 0 -4.7946 -1.7388 0.0000 O 0 0 0 0 0 0 0 0 0 0.2683 -2.0988 0.0000 O 0 0 0 0 0 0 0 0 0 0.9824 -2.5165 0.0000 C 0 0 0 0 0 0 0 0 0 0.9723 -3.3419 0.0000 C 0 0 0 0 0 0 0 0 0 -4.9679 -3.4147 0.0000 C 0 0 0 0 0 0 0 0 0 -5.5759 -4.1643 0.0000 C 0 0 0 0 0 0 0 0 0 1.6813 -3.7629 0.0000 C 0 0 0 0 0 0 0 0 0 1.6713 -4.5873 0.0000 C 0 0 0 0 0 0 0 0 0 1.6657 -5.4093 0.0000 C 0 0 0 0 0 0 0 0 0 8 15 1 0 0 0 11 12 1 6 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 3 4 2 0 0 0 11 16 1 0 0 0 7 8 1 0 0 0 16 17 2 0 0 0 16 18 1 0 0 0 7 9 2 0 0 0 18 19 1 0 0 0 4 5 1 0 0 0 5 20 1 0 0 0 7 10 2 0 0 0 20 21 1 0 0 0 8 11 1 0 0 0 21 22 1 0 0 0 2 3 1 0 0 0 12 23 1 0 0 0 5 6 2 0 0 0 12 24 1 0 0 0 6 1 1 0 0 0 22 25 1 0 0 0 1 2 2 0 0 0 25 26 1 0 0 0 2 7 1 0 0 0 26 27 3 0 0 0 M END > 8.09691001300806 > 7.95860731484177 $$$$ SciTegic11161115462D 34 36 0 0 0 0 999 V2000 -2.8345 -3.7503 0.0000 C 0 0 -3.5507 -4.1617 0.0000 C 0 0 -3.5525 -4.9831 0.0000 C 0 0 -2.8398 -5.3993 0.0000 N 0 0 -2.1236 -4.9879 0.0000 C 0 0 -2.1201 -4.1603 0.0000 C 0 0 -2.1202 -3.3376 0.0000 S 0 0 -1.7078 -2.6231 0.0000 O 0 0 -2.5328 -2.6233 0.0000 O 0 0 -1.4056 -3.7500 0.0000 C 0 0 -1.4068 -4.5773 0.0000 C 0 0 -0.6919 -4.9902 0.0000 C 0 0 0.0245 -4.5769 0.0000 C 0 0 0.0216 -3.7463 0.0000 C 0 0 -0.6937 -3.3372 0.0000 C 0 0 0.7396 -4.9882 0.0000 O 0 0 -3.5491 -3.3380 0.0000 C 0 0 -3.5493 -2.5130 0.0000 O 0 0 -4.2635 -3.7506 0.0000 N 0 0 -4.9781 -3.3383 0.0000 O 0 0 1.4534 -4.5746 0.0000 C 0 0 2.1652 -4.9864 0.0000 C 0 0 2.1575 -3.3364 0.0000 C 0 0 1.4472 -3.7517 0.0000 C 0 0 2.8747 -3.7457 0.0000 C 0 0 2.8814 -4.5696 0.0000 C 0 0 3.5865 -3.3285 0.0000 O 0 0 -2.8427 -6.2243 0.0000 C 0 0 4.3036 -3.7363 0.0000 C 0 0 5.0154 -3.3192 0.0000 F 0 0 4.3090 -4.5613 0.0000 F 0 0 5.0125 -4.1458 0.0000 F 0 0 -3.5586 -6.6343 0.0000 C 0 0 -2.1297 -6.6393 0.0000 O 0 0 1 2 1 0 1 17 1 0 1 6 1 0 17 18 2 0 2 3 1 0 17 19 1 0 3 4 1 0 19 20 1 0 10 11 2 0 16 21 1 0 4 5 1 0 21 22 2 0 22 26 1 0 11 12 1 0 25 23 1 0 5 6 1 0 23 24 2 0 24 21 1 0 25 26 2 0 12 13 2 0 8 7 2 0 13 14 1 0 25 27 1 0 7 9 2 0 4 28 1 0 14 15 2 0 27 29 1 0 15 10 1 0 29 30 1 0 29 31 1 0 13 16 1 0 29 32 1 0 10 7 1 0 28 33 1 0 7 1 1 0 28 34 2 0 M END > 9.69897000433602 > 5.44369749923271 $$$$ 11280715212D 1 1.00000 0.00000 0 27 29 0 0 0 999 V2000 -1.1250 0.9625 0.0000 S 0 0 3 0 0 0 0 0 0 -2.5583 0.9750 0.0000 C 0 0 3 0 0 0 0 0 0 -1.8458 1.3875 0.0000 N 0 0 0 0 0 0 0 0 0 -3.2750 1.3875 0.0000 C 0 0 0 0 0 0 0 0 0 -0.4083 0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7000 1.6833 0.0000 O 0 0 0 0 0 0 0 0 0 -1.5500 0.2458 0.0000 O 0 0 0 0 0 0 0 0 0 -3.2750 2.2208 0.0000 O 0 0 0 0 0 0 0 0 0 -3.9875 0.9750 0.0000 N 0 0 0 0 0 0 0 0 0 -3.2833 0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 -1.8458 0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 -2.5625 -0.6875 0.0000 O 0 0 0 0 0 0 0 0 0 0.3042 0.9500 0.0000 C 0 0 0 0 0 0 0 0 0 -0.4083 -0.2917 0.0000 C 0 0 0 0 0 0 0 0 0 1.7417 -0.7042 0.0000 O 0 0 0 0 0 0 0 0 0 1.0250 -0.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0.3042 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 1.0250 0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 1.7375 -1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 -3.9875 0.1458 0.0000 O 0 0 0 0 0 0 0 0 0 -1.8458 -0.2667 0.0000 C 0 0 0 0 0 0 0 0 0 -3.2833 -0.2667 0.0000 C 0 0 0 0 0 0 0 0 0 1.0167 -1.9417 0.0000 C 0 0 0 0 0 0 0 0 0 2.4542 -1.9417 0.0000 C 0 0 0 0 0 0 0 0 0 2.4542 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 1.0167 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 1.7292 -3.1875 0.0000 C 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 3 1 1 0 0 0 4 2 1 0 0 0 5 1 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 4 2 0 0 0 9 4 1 0 0 0 10 2 1 0 0 0 11 2 1 0 0 0 12 21 1 0 0 0 13 5 1 0 0 0 14 5 2 0 0 0 15 16 1 0 0 0 16 17 2 0 0 0 17 14 1 0 0 0 18 13 2 0 0 0 19 15 1 0 0 0 20 9 1 0 0 0 21 11 1 0 0 0 22 10 1 0 0 0 23 19 2 0 0 0 24 19 1 0 0 0 25 24 2 0 0 0 26 23 1 0 0 0 27 25 1 0 0 0 18 16 1 0 0 0 12 22 1 0 0 0 27 26 2 0 0 0 M END > 8.82390874094432 > 6.30980391997149 $$$$ CDK 9/16/09,9:58 30 32 0 0 0 0 0 0 0 0999 V2000 9.0058 -26.0166 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7218 -25.6043 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.4338 -25.2025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3132 -24.8862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1378 -26.3180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1372 -25.6213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8488 -25.2203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8573 -24.4019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1485 -23.9861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4398 -24.3895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5765 -23.9949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5835 -23.1687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3026 -22.7618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0168 -22.3566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7354 -21.9489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2973 -27.2557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2959 -28.0846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0100 -28.4981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0080 -26.8424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2867 -25.6064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5814 -26.8433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5807 -26.0171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8663 -27.2569 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1503 -26.8445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7277 -27.2554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7283 -28.0804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5130 -28.3349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9975 -27.6671 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5122 -27.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7670 -26.2142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14 15 1 0 0 0 0 7 8 2 0 0 0 0 16 17 2 0 0 0 0 8 9 1 0 0 0 0 17 18 1 0 0 0 0 18 26 2 0 0 0 0 2 5 2 0 0 0 0 25 19 2 0 0 0 0 19 16 1 0 0 0 0 19 1 1 0 0 0 0 9 10 2 0 0 0 0 1 20 1 0 0 0 0 10 3 1 0 0 0 0 16 21 1 0 0 0 0 2 3 1 0 0 0 0 21 22 2 0 0 0 0 8 11 1 0 0 0 0 21 23 1 0 0 0 0 3 6 2 0 0 0 0 23 24 1 0 0 0 0 25 26 1 0 0 0 0 11 12 1 0 0 0 0 1 2 1 0 0 0 0 12 13 1 0 0 0 0 6 7 1 0 0 0 0 13 14 3 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 25 1 0 0 0 0 2 4 2 0 0 0 0 29 30 1 0 0 0 0 M END > 6.82390874094432 > 5.71873931294499 $$$$ CDK 9/16/09,10:8 34 36 0 0 0 0 0 0 0 0999 V2000 -4.5404 -1.2353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5318 -2.0597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8160 -2.4666 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1044 -2.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1129 -1.2247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8289 -0.8094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8116 -3.2910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5226 -3.7106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0920 -3.6999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8333 0.0149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5529 0.4240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5573 1.2525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4055 0.0266 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.9942 0.7449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8168 -0.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6872 -0.3847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1744 0.8359 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.0052 1.6462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7236 2.0575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3366 1.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2757 2.0266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4187 1.5803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4895 3.2277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2393 2.8470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1889 2.7830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1530 1.9591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9200 3.1641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6155 2.7214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3808 -3.2829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6641 -3.6902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3864 -2.4585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3466 3.1025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1228 0.4342 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2681 0.0085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13 16 2 0 0 0 0 14 17 1 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 14 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 21 22 2 0 0 0 0 22 26 1 0 0 0 0 5 6 1 0 0 0 0 25 23 1 0 0 0 0 3 7 1 0 0 0 0 23 24 2 0 0 0 0 24 21 1 0 0 0 0 18 21 1 0 0 0 0 25 26 2 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 6 1 6 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 10 11 1 0 0 0 0 9 29 1 0 0 0 0 11 12 2 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 28 32 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 10 33 1 0 0 0 0 33 13 1 0 0 0 0 11 34 1 0 0 0 0 M END > 9.09691001300806 > 5.18309616062434 $$$$ 11280715452D 1 1.00000 0.00000 0 31 33 0 1 0 999 V2000 1.5417 -0.7292 0.0000 S 0 0 3 0 0 0 0 0 0 1.5417 0.0958 0.0000 N 0 0 3 0 0 0 0 0 0 2.2542 0.5083 0.0000 C 0 0 1 0 0 0 0 0 0 2.9667 0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 1.5375 -1.5542 0.0000 C 0 0 0 0 0 0 0 0 0 2.2542 1.3333 0.0000 C 0 0 2 0 0 0 0 0 0 2.9292 -5.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0.7167 -0.7250 0.0000 O 0 0 0 0 0 0 0 0 0 2.3667 -0.7292 0.0000 O 0 0 0 0 0 0 0 0 0 3.6417 -5.2625 0.0000 C 0 0 0 0 0 0 0 0 0 3.3750 -0.6167 0.0000 O 0 0 0 0 0 0 0 0 0 3.6417 -4.4375 0.0000 C 0 0 0 0 0 0 0 0 0 3.6792 0.5083 0.0000 N 0 0 0 0 0 0 0 0 0 2.9375 -4.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0.8292 0.5083 0.0000 C 0 0 0 0 0 0 0 0 0 2.2250 -4.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0.8167 -1.9542 0.0000 C 0 0 0 0 0 0 0 0 0 2.2417 -1.9667 0.0000 C 0 0 0 0 0 0 0 0 0 1.5125 -4.0250 0.0000 O 0 0 0 0 0 0 0 0 0 1.5167 -3.2000 0.0000 C 0 0 0 0 0 0 0 0 0 2.2500 2.1583 0.0000 O 0 0 0 0 0 0 0 0 0 2.2375 -2.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0.8042 -2.7792 0.0000 C 0 0 0 0 0 0 0 0 0 4.3917 0.0958 0.0000 O 0 0 0 0 0 0 0 0 0 1.5417 1.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0.8292 1.3333 0.0000 C 0 0 0 0 0 0 0 0 0 3.0500 1.5458 0.0000 C 0 0 0 0 0 0 0 0 0 4.3625 -4.0250 0.0000 C 0 0 0 0 0 0 0 0 0 2.9292 -3.2000 0.0000 C 0 0 0 0 0 0 0 0 0 3.6417 -2.7875 0.0000 C 0 0 0 0 0 0 0 0 0 4.3625 -3.2000 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 3 4 1 6 0 0 5 1 1 0 0 0 6 3 1 0 0 0 7 10 3 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 12 1 0 0 0 11 4 2 0 0 0 12 14 2 0 0 0 13 4 1 0 0 0 14 16 1 0 0 0 15 2 1 0 0 0 16 19 1 0 0 0 17 5 2 0 0 0 18 5 1 0 0 0 19 20 1 0 0 0 20 22 1 0 0 0 6 21 1 1 0 0 22 18 2 0 0 0 23 17 1 0 0 0 24 13 1 0 0 0 25 26 1 0 0 0 26 15 1 0 0 0 6 27 1 6 0 0 28 12 1 0 0 0 29 14 1 0 0 0 30 29 2 0 0 0 31 30 1 0 0 0 20 23 2 0 0 0 25 6 1 0 0 0 31 28 2 0 0 0 M END > 8.01322826573375 > 5.56863623584101 $$$$ 11280714562D 1 1.00000 0.00000 0 24 25 0 1 0 999 V2000 2.7125 -1.1250 0.0000 S 0 0 3 0 0 0 0 0 0 3.3125 -1.1250 0.0000 N 0 0 0 0 0 0 0 0 0 3.6042 -0.6042 0.0000 C 0 0 2 0 0 0 0 0 0 4.2042 -0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 2.1125 -1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 2.7042 -0.5250 0.0000 O 0 0 0 0 0 0 0 0 0 2.7042 -1.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0.9167 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0.3167 -1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 4.5125 -1.1167 0.0000 O 0 0 0 0 0 0 0 0 0 1.8000 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 1.8167 -1.6625 0.0000 C 0 0 0 0 0 0 0 0 0 3.3042 -0.0792 0.0000 C 0 0 3 0 0 0 0 0 0 1.2167 -1.6667 0.0000 C 0 0 0 0 0 0 0 0 0 1.2042 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0.0250 -1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0.0042 -0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 4.5042 -0.0792 0.0000 O 0 0 0 0 0 0 0 0 0 -0.8833 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5958 -0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5750 -1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 -1.4833 -1.1792 0.0000 Cl 0 0 0 0 0 0 0 0 0 2.7875 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 3.6042 0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 1 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 14 2 0 0 0 9 8 1 0 0 0 10 4 2 0 0 0 11 5 1 0 0 0 12 5 2 0 0 0 3 13 1 1 0 0 14 12 1 0 0 0 15 11 2 0 0 0 16 9 2 0 0 0 17 9 1 0 0 0 18 4 1 0 0 0 19 20 1 0 0 0 20 17 2 0 0 0 21 16 1 0 0 0 22 19 1 0 0 0 23 13 1 0 0 0 24 13 1 0 0 0 8 15 1 0 0 0 21 19 2 0 0 0 M END > 7.31875876262441 > 5.18708664335715 $$$$ 11280715082D 1 1.00000 0.00000 0 28 29 0 0 0 999 V2000 4.1417 -3.0250 0.0000 S 0 0 3 0 0 0 0 0 0 4.8542 -2.6042 0.0000 C 0 0 3 0 0 0 0 0 0 5.5750 -3.0125 0.0000 C 0 0 0 0 0 0 0 0 0 5.5667 -2.1917 0.0000 C 0 0 0 0 0 0 0 0 0 3.3167 -3.0542 0.0000 C 0 0 0 0 0 0 0 0 0 4.1375 -2.2042 0.0000 C 0 0 0 0 0 0 0 0 0 3.5542 -3.6042 0.0000 O 0 0 0 0 0 0 0 0 0 4.7292 -3.6042 0.0000 O 0 0 0 0 0 0 0 0 0 5.5792 -3.8375 0.0000 O 0 0 0 0 0 0 0 0 0 6.2875 -2.5917 0.0000 N 0 0 0 0 0 0 0 0 0 3.4042 -0.1542 0.0000 N 0 0 0 0 0 0 0 0 0 2.8792 -2.3542 0.0000 C 0 0 0 0 0 0 0 0 0 2.9375 -3.7875 0.0000 C 0 0 0 0 0 0 0 0 0 5.5625 -1.3667 0.0000 C 0 0 0 0 0 0 0 0 0 4.1292 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 1.6667 -3.1250 0.0000 C 0 0 0 0 0 0 0 0 0 2.0500 -2.3917 0.0000 C 0 0 0 0 0 0 0 0 0 2.1125 -3.8167 0.0000 C 0 0 0 0 0 0 0 0 0 7.0042 -2.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0.8417 -3.1542 0.0000 O 0 0 0 0 0 0 0 0 0 3.4167 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 4.1250 0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 6.2750 -0.9417 0.0000 C 0 0 3 0 0 0 0 0 0 4.8417 -0.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0.4625 -3.8917 0.0000 C 0 0 0 0 0 0 0 0 0 6.9917 -1.3542 0.0000 C 0 0 0 0 0 0 0 0 0 6.2667 -0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 4.8417 -0.1417 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 2 1 0 0 0 5 1 1 0 0 0 6 2 1 0 0 0 7 1 2 0 0 0 8 1 2 0 0 0 9 3 2 0 0 0 10 3 1 0 0 0 11 21 2 0 0 0 12 5 2 0 0 0 13 5 1 0 0 0 14 4 1 0 0 0 15 6 1 0 0 0 16 18 1 0 0 0 17 12 1 0 0 0 18 13 2 0 0 0 19 10 1 0 0 0 20 16 1 0 0 0 21 15 1 0 0 0 22 28 2 0 0 0 23 14 1 0 0 0 24 15 2 0 0 0 25 20 1 0 0 0 26 23 1 0 0 0 27 23 1 0 0 0 28 24 1 0 0 0 16 17 2 0 0 0 22 11 1 0 0 0 M END > 7.04575749056067 > 6.24108810760203 $$$$ 11280715082D 1 1.00000 0.00000 0 24 24 0 0 0 999 V2000 5.2417 -2.8917 0.0000 C 0 0 3 0 0 0 0 0 0 4.4167 -2.8917 0.0000 S 0 0 3 0 0 0 0 0 0 5.2542 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0 5.2417 -3.7250 0.0000 C 0 0 0 0 0 0 0 0 0 4.4167 -2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 4.4125 -3.7250 0.0000 O 0 0 0 0 0 0 0 0 0 4.6667 -1.4792 0.0000 O 0 0 0 0 0 0 0 0 0 5.9750 -1.6542 0.0000 N 0 0 0 0 0 0 0 0 0 3.5792 -2.8917 0.0000 C 0 0 0 0 0 0 0 0 0 6.0792 -2.9000 0.0000 C 0 0 0 0 0 0 0 0 0 5.9542 -4.1417 0.0000 C 0 0 0 0 0 0 0 0 0 5.9667 -0.8167 0.0000 O 0 0 0 0 0 0 0 0 0 6.6667 -3.7292 0.0000 C 0 0 0 0 0 0 0 0 0 5.9542 -4.9667 0.0000 C 0 0 0 0 0 0 0 0 0 3.1750 -2.1667 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1333 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0.6917 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 2.3417 -2.1667 0.0000 C 0 0 0 0 0 0 0 0 0 1.9292 -1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 1.1042 -1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5458 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 6.6667 -5.3792 0.0000 C 0 0 0 0 0 0 0 0 0 7.3792 -4.1292 0.0000 C 0 0 0 0 0 0 0 0 0 7.3792 -4.9667 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 1 1 0 0 0 5 2 2 0 0 0 6 2 2 0 0 0 7 3 2 0 0 0 8 3 1 0 0 0 9 2 1 0 0 0 10 1 1 0 0 0 11 4 1 0 0 0 12 8 1 0 0 0 13 11 1 0 0 0 14 11 2 0 0 0 15 9 1 0 0 0 16 17 1 0 0 0 17 20 1 0 0 0 18 15 1 0 0 0 19 18 1 0 0 0 20 19 1 0 0 0 21 16 1 0 0 0 22 14 1 0 0 0 23 13 2 0 0 0 24 22 2 0 0 0 24 23 1 0 0 0 M END > 7.07058107428571 > 7.10790539730952 $$$$ 11280715022D 1 1.00000 0.00000 0 39 42 0 1 0 999 V2000 3.8292 -0.7917 0.0000 S 0 0 3 0 0 0 0 0 0 3.1125 -0.3792 0.0000 N 0 0 0 0 0 0 0 0 0 2.3917 -0.7917 0.0000 C 0 0 1 0 0 0 0 0 0 2.3917 -4.0875 0.0000 N 0 0 3 0 0 0 0 0 0 1.6792 -0.3792 0.0000 C 0 0 0 0 0 0 0 0 0 1.6750 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 4.5417 -0.3792 0.0000 C 0 0 0 0 0 0 0 0 0 4.4125 -1.3792 0.0000 O 0 0 0 0 0 0 0 0 0 3.2417 -1.3792 0.0000 O 0 0 0 0 0 0 0 0 0 2.4000 -1.6167 0.0000 C 0 0 3 0 0 0 0 0 0 2.3917 -3.2625 0.0000 C 0 0 3 0 0 0 0 0 0 3.1042 -4.5042 0.0000 C 0 0 0 0 0 0 0 0 0 5.9750 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 6.6875 0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 1.6792 0.4458 0.0000 O 0 0 0 0 0 0 0 0 0 0.9625 -4.0875 0.0000 O 0 0 0 0 0 0 0 0 0 5.2542 -0.7917 0.0000 C 0 0 0 0 0 0 0 0 0 4.5417 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 5.9750 -0.3792 0.0000 C 0 0 0 0 0 0 0 0 0 5.2542 0.8583 0.0000 C 0 0 0 0 0 0 0 0 0 3.1125 -2.0250 0.0000 C 0 0 0 0 0 0 0 0 0 1.6792 -2.0292 0.0000 C 0 0 0 0 0 0 0 0 0 1.6792 -2.8500 0.0000 C 0 0 0 0 0 0 0 0 0 3.1042 -2.8500 0.0000 C 0 0 0 0 0 0 0 0 0 6.6792 1.6833 0.0000 C 0 0 0 0 0 0 0 0 0 7.4000 0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0.9667 -0.7917 0.0000 O 0 0 0 0 0 0 0 0 0 8.1042 1.6958 0.0000 C 0 0 0 0 0 0 0 0 0 3.1042 -5.3292 0.0000 C 0 0 0 0 0 0 0 0 0 8.1125 0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 7.3875 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 8.8167 2.1083 0.0000 O 0 0 0 0 0 0 0 0 0 1.6750 -5.3250 0.0000 C 0 0 0 0 0 0 0 0 0 2.3792 -5.7375 0.0000 C 0 0 0 0 0 0 0 0 0 3.8167 -5.7375 0.0000 C 0 0 0 0 0 0 0 0 0 9.5375 1.6958 0.0000 C 0 0 0 0 0 0 0 0 0 3.8167 -6.5542 0.0000 C 0 0 0 0 0 0 0 0 0 2.3792 -6.5542 0.0000 C 0 0 0 0 0 0 0 0 0 3.1000 -6.9750 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 6 0 0 4 11 1 0 0 0 5 3 1 0 0 0 6 4 1 0 0 0 7 1 1 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 3 1 0 0 0 11 23 1 0 0 0 12 4 1 0 0 0 13 20 2 0 0 0 14 13 1 0 0 0 15 5 2 0 0 0 16 6 2 0 0 0 17 7 1 0 0 0 18 7 2 0 0 0 19 17 2 0 0 0 20 18 1 0 0 0 21 10 1 0 0 0 22 10 1 0 0 0 23 22 1 0 0 0 24 21 1 0 0 0 25 14 1 0 0 0 26 14 2 0 0 0 27 5 1 0 0 0 28 30 2 0 0 0 29 12 1 0 0 0 30 26 1 0 0 0 31 25 2 0 0 0 32 28 1 0 0 0 33 6 1 0 0 0 34 29 2 0 0 0 35 29 1 0 0 0 36 32 1 0 0 0 37 35 2 0 0 0 38 34 1 0 0 0 39 37 1 0 0 0 19 13 1 0 0 0 24 11 1 0 0 0 28 31 1 0 0 0 38 39 2 0 0 0 M END > 9.09691001300806 > 6.54668165995296 $$$$ 11280715072D 1 1.00000 0.00000 0 30 32 0 0 0 999 V2000 4.4167 -2.8917 0.0000 S 0 0 3 0 0 0 0 0 0 5.2417 -2.8917 0.0000 C 0 0 3 0 0 0 0 0 0 3.5792 -2.8917 0.0000 C 0 0 0 0 0 0 0 0 0 5.2542 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0 3.0917 -3.5667 0.0000 S 0 0 0 0 0 0 0 0 0 4.4125 -3.7250 0.0000 O 0 0 0 0 0 0 0 0 0 4.4167 -2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 5.2417 -3.7250 0.0000 C 0 0 0 0 0 0 0 0 0 10.2417 -4.9667 0.0000 N 0 0 3 0 0 0 0 0 0 3.0917 -2.2167 0.0000 C 0 0 0 0 0 0 0 0 0 4.6667 -1.4792 0.0000 O 0 0 0 0 0 0 0 0 0 2.3042 -3.3042 0.0000 C 0 0 0 0 0 0 0 0 0 5.9750 -1.6542 0.0000 N 0 0 0 0 0 0 0 0 0 2.3042 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 6.0792 -2.9000 0.0000 C 0 0 0 0 0 0 0 0 0 5.9542 -4.1417 0.0000 C 0 0 0 0 0 0 0 0 0 7.3792 -4.9667 0.0000 C 0 0 0 0 0 0 0 0 0 5.9667 -0.8167 0.0000 O 0 0 0 0 0 0 0 0 0 5.9542 -4.9667 0.0000 C 0 0 0 0 0 0 0 0 0 6.6667 -3.7292 0.0000 C 0 0 0 0 0 0 0 0 0 7.3792 -4.1292 0.0000 C 0 0 0 0 0 0 0 0 0 6.6667 -5.3792 0.0000 C 0 0 0 0 0 0 0 0 0 8.0917 -5.3792 0.0000 O 0 0 0 0 0 0 0 0 0 9.5250 -5.3792 0.0000 C 0 0 0 0 0 0 0 0 0 8.8125 -4.9667 0.0000 C 0 0 0 0 0 0 0 0 0 10.9500 -5.3875 0.0000 C 0 0 0 0 0 0 0 0 0 10.2375 -4.1500 0.0000 C 0 0 0 0 0 0 0 0 0 10.9542 -3.7375 0.0000 C 0 0 0 0 0 0 0 0 0 11.6667 -4.9792 0.0000 C 0 0 0 0 0 0 0 0 0 11.6667 -4.1542 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 2 1 0 0 0 5 3 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 2 1 0 0 0 9 24 1 0 0 0 10 3 2 0 0 0 11 4 2 0 0 0 12 5 1 0 0 0 13 4 1 0 0 0 14 10 1 0 0 0 15 2 1 0 0 0 16 8 1 0 0 0 17 21 1 0 0 0 18 13 1 0 0 0 19 16 2 0 0 0 20 16 1 0 0 0 21 20 2 0 0 0 22 19 1 0 0 0 23 17 1 0 0 0 24 25 1 0 0 0 25 23 1 0 0 0 26 9 1 0 0 0 27 9 1 0 0 0 28 27 1 0 0 0 29 26 1 0 0 0 30 28 1 0 0 0 12 14 2 0 0 0 17 22 2 0 0 0 30 29 1 0 0 0 M END > 7.07058107428571 > 7.00436480540245 $$$$ 11280715242D 1 1.00000 0.00000 0 27 28 0 0 0 999 V2000 4.8750 -1.2875 0.0000 S 0 0 3 0 0 0 0 0 0 4.8750 -1.8875 0.0000 N 0 0 3 0 0 0 0 0 0 4.3625 -2.1875 0.0000 C 0 0 3 0 0 0 0 0 0 3.8417 -1.8875 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -2.1875 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 4.3625 -2.7875 0.0000 C 0 0 0 0 0 0 0 0 0 4.2750 -0.8125 0.0000 O 0 0 0 0 0 0 0 0 0 5.5875 -1.7000 0.0000 O 0 0 0 0 0 0 0 0 0 4.8750 -3.0875 0.0000 N 0 0 3 0 0 0 0 0 0 3.8375 -1.2875 0.0000 O 0 0 0 0 0 0 0 0 0 3.3167 -2.1875 0.0000 N 0 0 0 0 0 0 0 0 0 5.3917 -2.7875 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -0.3875 0.0000 C 0 0 0 0 0 0 0 0 0 5.9125 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 6.4292 -0.3792 0.0000 C 0 0 0 0 0 0 0 0 0 6.4292 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 5.9042 -0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 2.8000 -1.8875 0.0000 O 0 0 0 0 0 0 0 0 0 6.9500 -0.0792 0.0000 O 0 0 0 0 0 0 0 0 0 4.8750 -3.6875 0.0000 C 0 0 0 0 0 0 0 0 0 7.4667 -0.3792 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -3.9875 0.0000 C 0 0 0 0 0 0 0 0 0 5.9125 -5.4875 0.0000 C 0 0 0 0 0 0 0 0 0 5.9125 -4.8875 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -4.5875 0.0000 C 0 0 0 0 0 0 0 0 0 6.4292 -5.7875 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 2 1 0 0 0 6 1 1 0 0 0 7 3 1 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 13 1 0 0 0 11 4 2 0 0 0 12 4 1 0 0 0 13 5 1 0 0 0 14 6 1 0 0 0 15 6 2 0 0 0 16 17 2 0 0 0 17 15 1 0 0 0 18 14 2 0 0 0 19 12 1 0 0 0 20 16 1 0 0 0 21 10 1 0 0 0 22 20 1 0 0 0 23 21 1 0 0 0 24 25 1 0 0 0 25 26 1 0 0 0 26 23 1 0 0 0 27 24 1 0 0 0 16 18 1 0 0 0 10 7 1 0 0 0 M END > 8.3767507096021 > 6.0017406615763 $$$$ 11280715052D 1 1.00000 0.00000 0 33 35 0 0 0 999 V2000 5.7917 -6.3625 0.0000 S 0 0 3 0 0 0 0 0 0 3.7000 -6.9917 0.0000 C 0 0 0 0 0 0 0 0 0 4.9667 -6.3292 0.0000 N 0 0 3 0 0 0 0 0 0 4.5292 -7.0292 0.0000 C 0 0 0 0 0 0 0 0 0 3.2625 -7.6917 0.0000 C 0 0 0 0 0 0 0 0 0 4.9125 -7.7625 0.0000 C 0 0 0 0 0 0 0 0 0 3.3125 -6.2667 0.0000 C 0 0 0 0 0 0 0 0 0 3.6417 -8.4250 0.0000 C 0 0 0 0 0 0 0 0 0 6.6167 -6.3625 0.0000 C 0 0 0 0 0 0 0 0 0 4.4667 -8.4542 0.0000 C 0 0 0 0 0 0 0 0 0 6.2292 -5.6625 0.0000 O 0 0 0 0 0 0 0 0 0 6.1750 -7.0917 0.0000 O 0 0 0 0 0 0 0 0 0 4.5792 -5.6000 0.0000 C 0 0 0 0 0 0 0 0 0 3.2042 -9.1167 0.0000 N 0 0 3 0 0 0 0 0 0 3.7542 -5.5667 0.0000 O 0 0 0 0 0 0 0 0 0 6.2875 -4.2292 0.0000 N 0 0 0 0 0 0 0 0 0 2.4875 -6.2375 0.0000 N 0 0 0 0 0 0 0 0 0 5.0250 -4.9042 0.0000 C 0 0 0 0 0 0 0 0 0 7.0167 -5.6500 0.0000 C 0 0 0 0 0 0 0 0 0 7.0250 -7.0750 0.0000 C 0 0 0 0 0 0 0 0 0 8.2542 -6.3542 0.0000 C 0 0 0 0 0 0 0 0 0 7.8417 -7.0667 0.0000 C 0 0 0 0 0 0 0 0 0 7.8417 -5.6417 0.0000 C 0 0 0 0 0 0 0 0 0 2.0500 -6.9375 0.0000 O 0 0 0 0 0 0 0 0 0 5.7375 -7.7917 0.0000 C 0 0 0 0 0 0 0 0 0 5.8542 -4.9292 0.0000 C 0 0 0 0 0 0 0 0 0 9.0792 -6.3542 0.0000 O 0 0 0 0 0 0 0 0 0 5.9042 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 2.3792 -9.0875 0.0000 C 0 0 0 0 0 0 0 0 0 3.5875 -9.8500 0.0000 C 0 0 0 0 0 0 0 0 0 4.6417 -4.1667 0.0000 C 0 0 0 0 0 0 0 0 0 9.4917 -7.0667 0.0000 C 0 0 0 0 0 0 0 0 0 5.0792 -3.4667 0.0000 C 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 3 1 1 0 0 0 4 3 1 0 0 0 5 2 2 0 0 0 6 4 2 0 0 0 7 2 1 0 0 0 8 10 2 0 0 0 9 1 1 0 0 0 10 6 1 0 0 0 11 1 2 0 0 0 12 1 2 0 0 0 13 3 1 0 0 0 14 8 1 0 0 0 15 7 2 0 0 0 16 26 2 0 0 0 17 7 1 0 0 0 18 13 1 0 0 0 19 9 1 0 0 0 20 9 2 0 0 0 21 22 2 0 0 0 22 20 1 0 0 0 23 19 2 0 0 0 24 17 1 0 0 0 25 6 1 0 0 0 26 18 1 0 0 0 27 21 1 0 0 0 28 33 2 0 0 0 29 14 1 0 0 0 30 14 1 0 0 0 31 18 2 0 0 0 32 27 1 0 0 0 33 31 1 0 0 0 23 21 1 0 0 0 5 8 1 0 0 0 16 28 1 0 0 0 M END > 7.4089353929735 > 7.13076828026902 $$$$ 11280715312D 1 1.00000 0.00000 0 27 29 0 1 0 999 V2000 0.4250 -3.3875 0.0000 N 0 0 3 0 0 0 0 0 0 0.4250 -2.7875 0.0000 S 0 0 3 0 0 0 0 0 0 0.8917 -5.3667 0.0000 S 0 0 3 0 0 0 0 0 0 -0.0583 -3.7375 0.0000 C 0 0 2 0 0 0 0 0 0 1.0792 -4.7917 0.0000 N 0 0 3 0 0 0 0 0 0 0.7250 -4.3125 0.0000 C 0 0 2 0 0 0 0 0 0 0.9125 -3.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0.1250 -4.3125 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6333 -3.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0.9417 -2.4875 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1583 -2.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0.4167 -2.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0.3750 -5.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0.5917 -5.8792 0.0000 O 0 0 0 0 0 0 0 0 0 -0.7583 -2.9667 0.0000 O 0 0 0 0 0 0 0 0 0 1.3792 -5.7167 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0750 -3.9542 0.0000 N 0 0 0 0 0 0 0 0 0 0.9417 -1.8875 0.0000 C 0 0 0 0 0 0 0 0 0 1.4667 -2.7875 0.0000 C 0 0 0 0 0 0 0 0 0 1.6792 -4.7917 0.0000 C 0 0 0 0 0 0 0 0 0 1.8667 -5.3667 0.0000 C 0 0 0 0 0 0 0 0 0 1.9875 -1.8875 0.0000 C 0 0 0 0 0 0 0 0 0 1.9875 -2.4875 0.0000 C 0 0 0 0 0 0 0 0 0 1.4625 -1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 -1.6458 -3.7667 0.0000 O 0 0 0 0 0 0 0 0 0 2.5042 -1.5875 0.0000 O 0 0 0 0 0 0 0 0 0 3.0250 -1.8792 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 5 1 0 0 0 4 1 1 0 0 0 6 5 1 1 0 0 6 7 1 0 0 0 7 1 1 0 0 0 4 8 1 6 0 0 9 4 1 0 0 0 10 2 1 0 0 0 11 2 2 0 0 0 12 2 2 0 0 0 13 3 2 0 0 0 14 3 2 0 0 0 15 9 2 0 0 0 16 3 1 0 0 0 17 9 1 0 0 0 18 10 1 0 0 0 19 10 2 0 0 0 20 5 1 0 0 0 21 20 1 0 0 0 22 23 2 0 0 0 23 19 1 0 0 0 24 18 2 0 0 0 25 17 1 0 0 0 26 22 1 0 0 0 27 26 1 0 0 0 6 8 1 0 0 0 22 24 1 0 0 0 21 16 1 0 0 0 M END > 9.39794000867204 > 7.3767507096021 $$$$ 11280715412D 1 1.00000 0.00000 0 18 18 0 0 0 999 V2000 5.6125 -2.4417 0.0000 S 0 0 3 0 0 0 0 0 0 5.6125 -1.6167 0.0000 C 0 0 0 0 0 0 0 0 0 6.4375 -2.4417 0.0000 O 0 0 0 0 0 0 0 0 0 4.7875 -2.4417 0.0000 O 0 0 0 0 0 0 0 0 0 5.6125 -3.2667 0.0000 C 0 0 3 0 0 0 0 0 0 4.9000 -1.2042 0.0000 C 0 0 0 0 0 0 0 0 0 6.3292 -1.2042 0.0000 C 0 0 0 0 0 0 0 0 0 5.6125 0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 4.1875 -4.9250 0.0000 S 0 0 0 0 0 0 0 0 0 4.9000 -0.3792 0.0000 C 0 0 0 0 0 0 0 0 0 6.3292 -0.3792 0.0000 C 0 0 0 0 0 0 0 0 0 4.9000 -3.6792 0.0000 C 0 0 0 0 0 0 0 0 0 5.6125 0.8583 0.0000 O 0 0 0 0 0 0 0 0 0 4.9000 -4.5042 0.0000 C 0 0 0 0 0 0 0 0 0 6.3250 -3.6792 0.0000 C 0 0 0 0 0 0 0 0 0 6.3250 1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 6.3250 -4.5042 0.0000 C 0 0 0 0 0 0 0 0 0 7.0417 -4.9167 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 2 0 0 0 4 1 2 0 0 0 5 1 1 0 0 0 6 2 1 0 0 0 7 2 2 0 0 0 8 11 2 0 0 0 9 14 1 0 0 0 10 6 2 0 0 0 11 7 1 0 0 0 12 5 1 0 0 0 13 8 1 0 0 0 14 12 1 0 0 0 15 5 1 0 0 0 16 13 1 0 0 0 17 15 1 0 0 0 18 17 1 0 0 0 8 10 1 0 0 0 M END > 8.22184874961636 > 5.82390874094432 $$$$ 11280715532D 1 1.00000 0.00000 0 34 36 0 0 0 999 V2000 11.9678 -4.2199 0.0000 C 0 0 0 0 0 0 0 0 0 11.9678 -5.0493 0.0000 C 0 0 0 0 0 0 0 0 0 12.6821 -5.4616 0.0000 N 0 0 3 0 0 0 0 0 0 13.4009 -5.0493 0.0000 C 0 0 0 0 0 0 0 0 0 13.4009 -4.2199 0.0000 C 0 0 0 0 0 0 0 0 0 12.6821 -3.8029 0.0000 C 0 0 3 0 0 0 0 0 0 11.9633 -3.3905 0.0000 C 0 0 0 0 0 0 0 0 0 13.3924 -3.3837 0.0000 C 0 0 0 0 0 0 0 0 0 13.3845 -2.5591 0.0000 S 0 0 3 0 0 0 0 0 0 13.3791 -1.7319 0.0000 C 0 0 0 0 0 0 0 0 0 12.5597 -2.5657 0.0000 O 0 0 0 0 0 0 0 0 0 14.2092 -2.5548 0.0000 O 0 0 0 0 0 0 0 0 0 11.9610 -2.5658 0.0000 O 0 0 0 0 0 0 0 0 0 11.2502 -3.8049 0.0000 N 0 0 0 0 0 0 0 0 0 10.5347 -3.3945 0.0000 O 0 0 0 0 0 0 0 0 0 14.0949 -1.3156 0.0000 C 0 0 0 0 0 0 0 0 0 14.0900 -0.4892 0.0000 C 0 0 0 0 0 0 0 0 0 13.3704 -0.0795 0.0000 C 0 0 0 0 0 0 0 0 0 12.6544 -0.5022 0.0000 C 0 0 0 0 0 0 0 0 0 12.6630 -1.3272 0.0000 C 0 0 0 0 0 0 0 0 0 13.3639 0.7452 0.0000 O 0 0 0 0 0 0 0 0 0 14.0749 1.1632 0.0000 C 0 0 0 0 0 0 0 0 0 14.0684 1.9878 0.0000 C 0 0 0 0 0 0 0 0 0 14.0617 2.8132 0.0000 C 0 0 0 0 0 0 0 0 0 14.0550 3.6380 0.0000 C 0 0 0 0 0 0 0 0 0 12.6809 -6.2864 0.0000 C 0 0 0 0 0 0 0 0 0 11.9661 -6.6977 0.0000 C 0 0 0 0 0 0 0 0 0 13.3946 -6.6997 0.0000 O 0 0 0 0 0 0 0 0 0 11.2571 -6.2807 0.0000 C 0 0 0 0 0 0 0 0 0 10.5428 -6.6915 0.0000 C 0 0 0 0 0 0 0 0 0 10.5411 -7.5171 0.0000 C 0 0 0 0 0 0 0 0 0 11.2598 -7.9303 0.0000 C 0 0 0 0 0 0 0 0 0 11.9712 -7.5172 0.0000 C 0 0 0 0 0 0 0 0 0 11.2610 -5.4560 0.0000 C 0 0 0 0 0 0 0 0 0 16 17 1 0 0 0 1 6 1 0 0 0 17 18 2 0 0 0 8 9 1 0 0 0 18 19 1 0 0 0 2 3 1 0 0 0 19 20 2 0 0 0 20 10 1 0 0 0 9 10 1 0 0 0 18 21 1 0 0 0 3 4 1 0 0 0 21 22 1 0 0 0 9 11 2 0 0 0 22 23 1 0 0 0 4 5 1 0 0 0 23 24 3 0 0 0 9 12 2 0 0 0 24 25 1 0 0 0 5 6 1 0 0 0 3 26 1 0 0 0 7 13 2 0 0 0 26 27 1 0 0 0 26 28 2 0 0 0 7 14 1 0 0 0 27 29 2 0 0 0 6 7 1 0 0 0 29 30 1 0 0 0 14 15 1 0 0 0 30 31 2 0 0 0 1 2 1 0 0 0 31 32 1 0 0 0 10 16 2 0 0 0 32 33 2 0 0 0 33 27 1 0 0 0 6 8 1 0 0 0 29 34 1 0 0 0 M END > 7.85387196432176 > 5.73282827159699 $$$$ 11280715152D 1 1.00000 0.00000 0 34 36 0 1 0 999 V2000 4.0792 -5.2625 0.0000 S 0 0 3 0 0 0 0 0 0 4.4542 -3.0542 0.0000 C 0 0 2 0 0 0 0 0 0 5.1667 -2.6417 0.0000 C 0 0 2 0 0 0 0 0 0 5.8792 -3.0542 0.0000 C 0 0 0 0 0 0 0 0 0 3.8667 -4.4667 0.0000 N 0 0 3 0 0 0 0 0 0 4.4542 -3.8792 0.0000 C 0 0 0 0 0 0 0 0 0 6.6000 -2.6417 0.0000 N 0 0 3 0 0 0 0 0 0 3.7417 -2.6417 0.0000 C 0 0 0 0 0 0 0 0 0 4.2917 -6.0542 0.0000 C 0 0 0 0 0 0 0 0 0 4.8750 -5.0417 0.0000 O 0 0 0 0 0 0 0 0 0 3.2792 -5.4750 0.0000 O 0 0 0 0 0 0 0 0 0 5.1667 -1.8167 0.0000 C 0 0 0 0 0 0 0 0 0 5.8792 -3.8792 0.0000 O 0 0 0 0 0 0 0 0 0 3.7417 -1.8167 0.0000 O 0 0 0 0 0 0 0 0 0 3.0292 -3.0542 0.0000 N 0 0 0 0 0 0 0 0 0 3.7125 -6.6417 0.0000 C 0 0 0 0 0 0 0 0 0 5.0917 -6.2625 0.0000 C 0 0 0 0 0 0 0 0 0 4.7292 -7.6417 0.0000 C 0 0 0 0 0 0 0 0 0 5.3042 -7.0542 0.0000 C 0 0 0 0 0 0 0 0 0 3.9292 -7.4292 0.0000 C 0 0 0 0 0 0 0 0 0 2.3125 -2.6417 0.0000 O 0 0 0 0 0 0 0 0 0 3.0417 -4.4625 0.0000 C 0 0 0 0 0 0 0 0 0 6.5917 -1.8167 0.0000 C 0 0 0 0 0 0 0 0 0 7.3042 -3.0542 0.0000 C 0 0 0 0 0 0 0 0 0 5.7542 -1.2292 0.0000 C 0 0 3 0 0 0 0 0 0 4.9417 -8.4417 0.0000 O 0 0 0 0 0 0 0 0 0 4.3667 -9.0292 0.0000 C 0 0 0 0 0 0 0 0 0 5.6167 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 6.5667 -1.3542 0.0000 C 0 0 0 0 0 0 0 0 0 8.0167 -2.6500 0.0000 C 0 0 0 0 0 0 0 0 0 7.3125 -1.4042 0.0000 C 0 0 0 0 0 0 0 0 0 6.9417 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 6.3542 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 8.0250 -1.8250 0.0000 C 0 0 0 0 0 0 0 0 0 2 6 1 6 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 1 1 0 0 0 6 5 1 0 0 0 7 4 1 0 0 0 8 2 1 0 0 0 9 1 1 0 0 0 10 1 2 0 0 0 11 1 2 0 0 0 3 12 1 1 0 0 13 4 2 0 0 0 14 8 2 0 0 0 15 8 1 0 0 0 16 9 2 0 0 0 17 9 1 0 0 0 18 19 1 0 0 0 19 17 2 0 0 0 20 16 1 0 0 0 21 15 1 0 0 0 22 5 1 0 0 0 23 7 1 0 0 0 24 7 1 0 0 0 25 12 1 0 0 0 26 18 1 0 0 0 27 26 1 0 0 0 28 25 1 0 0 0 29 25 1 0 0 0 30 24 1 0 0 0 31 23 1 0 0 0 32 29 1 0 0 0 33 28 1 0 0 0 34 30 1 0 0 0 20 18 2 0 0 0 32 33 1 0 0 0 31 34 1 0 0 0 M END > 7.69897000433602 > 8 $$$$ 11280715522D 1 1.00000 0.00000 0 28 29 0 1 0 999 V2000 -2.9306 -13.9000 0.0000 C 0 0 0 0 0 0 0 0 0 -2.9318 -14.7273 0.0000 C 0 0 0 0 0 0 0 0 0 -2.2169 -15.1402 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5005 -14.7269 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5034 -13.8963 0.0000 C 0 0 0 0 0 0 0 0 0 -2.2187 -13.4872 0.0000 C 0 0 0 0 0 0 0 0 0 -2.2174 -12.6640 0.0000 O 0 0 0 0 0 0 0 0 0 -2.9331 -12.2536 0.0000 C 0 0 0 0 0 0 0 0 0 -2.2171 -15.9652 0.0000 C 0 0 2 0 0 0 0 0 0 -2.9317 -16.3775 0.0000 C 0 0 1 0 0 0 0 0 0 -1.5028 -16.3779 0.0000 C 0 0 0 0 0 0 0 0 0 -3.6461 -15.9649 0.0000 C 0 0 0 0 0 0 0 0 0 -2.9319 -17.2025 0.0000 C 0 0 0 0 0 0 0 0 0 -3.6459 -15.1399 0.0000 O 0 0 0 0 0 0 0 0 0 -4.3607 -16.3772 0.0000 N 0 0 0 0 0 0 0 0 0 -5.0750 -15.9645 0.0000 O 0 0 0 0 0 0 0 0 0 -1.5030 -17.2029 0.0000 O 0 0 0 0 0 0 0 0 0 -0.7882 -15.9656 0.0000 N 0 0 3 0 0 0 0 0 0 -0.0788 -16.3820 0.0000 C 0 0 1 0 0 0 0 0 0 0.6336 -15.9732 0.0000 C 0 0 0 0 0 0 0 0 0 0.6381 -15.1479 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0761 -14.7330 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7948 -15.1435 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0829 -17.2070 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7994 -17.6160 0.0000 O 0 0 0 0 0 0 0 0 0 0.6295 -17.6230 0.0000 N 0 0 0 0 0 0 0 0 0 0.6255 -18.4480 0.0000 C 0 0 0 0 0 0 0 0 0 -3.6465 -17.6149 0.0000 O 0 0 0 0 0 0 0 0 0 12 14 2 0 0 0 3 4 2 0 0 0 12 15 1 0 0 0 7 8 1 0 0 0 15 16 1 0 0 0 6 7 1 0 0 0 11 17 2 0 0 0 11 18 1 0 0 0 18 19 1 0 0 0 9 3 1 1 0 0 4 5 1 0 0 0 9 10 1 0 0 0 2 3 1 0 0 0 9 11 1 0 0 0 18 23 1 0 0 0 19 20 1 0 0 0 20 21 1 0 0 0 21 22 1 0 0 0 22 23 1 0 0 0 5 6 2 0 0 0 19 24 1 1 0 0 10 12 1 0 0 0 24 25 2 0 0 0 6 1 1 0 0 0 24 26 1 0 0 0 10 13 1 6 0 0 26 27 1 0 0 0 1 2 2 0 0 0 13 28 1 0 0 0 M END > 8 > 7.63827216398241 $$$$ 11280715142D 1 1.00000 0.00000 0 31 32 0 0 0 999 V2000 2.8917 -0.2375 0.0000 S 0 0 3 0 0 0 0 0 0 2.1750 -0.6625 0.0000 N 0 0 0 0 0 0 0 0 0 2.1875 -1.4917 0.0000 C 0 0 3 0 0 0 0 0 0 1.4792 -1.9042 0.0000 C 0 0 0 0 0 0 0 0 0 2.9042 -1.9000 0.0000 C 0 0 3 0 0 0 0 0 0 3.6167 0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 6.4750 2.6833 0.0000 C 0 0 0 0 0 0 0 0 0 7.1917 3.0958 0.0000 C 0 0 0 0 0 0 0 0 0 2.4667 0.4833 0.0000 O 0 0 0 0 0 0 0 0 0 3.3167 -0.9542 0.0000 O 0 0 0 0 0 0 0 0 0 3.6167 -2.3125 0.0000 S 0 0 0 0 0 0 0 0 0 1.4875 -2.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0.7625 -1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 5.7542 -3.5375 0.0000 N 0 0 0 0 0 0 0 0 0 4.3292 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 3.6167 1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 4.3375 -3.5417 0.0000 C 0 0 0 0 0 0 0 0 0 3.6167 -3.1375 0.0000 C 0 0 0 0 0 0 0 0 0 5.0417 1.0208 0.0000 C 0 0 0 0 0 0 0 0 0 4.3292 1.4333 0.0000 C 0 0 0 0 0 0 0 0 0 5.0417 0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0.0417 -1.9125 0.0000 O 0 0 0 0 0 0 0 0 0 5.0417 -3.1292 0.0000 C 0 0 0 0 0 0 0 0 0 5.7625 2.2708 0.0000 C 0 0 0 0 0 0 0 0 0 5.7667 1.4375 0.0000 O 0 0 0 0 0 0 0 0 0 7.9167 3.5208 0.0000 C 0 0 0 0 0 0 0 0 0 2.9042 -2.7250 0.0000 C 0 0 0 0 0 0 0 0 0 3.6167 -1.4875 0.0000 C 0 0 0 0 0 0 0 0 0 5.7625 -4.3667 0.0000 C 0 0 0 0 0 0 0 0 0 4.3292 -4.3667 0.0000 C 0 0 0 0 0 0 0 0 0 5.0500 -4.7792 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 3 1 0 0 0 6 1 1 0 0 0 7 24 1 0 0 0 8 7 3 0 0 0 9 1 2 0 0 0 10 1 2 0 0 0 11 5 1 0 0 0 12 4 2 0 0 0 13 4 1 0 0 0 14 23 2 0 0 0 15 6 1 0 0 0 16 6 2 0 0 0 17 18 1 0 0 0 18 11 1 0 0 0 19 20 2 0 0 0 20 16 1 0 0 0 21 15 2 0 0 0 22 13 1 0 0 0 23 17 1 0 0 0 24 25 1 0 0 0 25 19 1 0 0 0 26 8 1 0 0 0 27 5 1 0 0 0 28 5 1 0 0 0 29 31 2 0 0 0 30 17 2 0 0 0 31 30 1 0 0 0 19 21 1 0 0 0 29 14 1 0 0 0 M END > 8.09691001300806 > 6.32239304727951 $$$$ 11280715202D 1 1.00000 0.00000 0 35 38 0 1 0 999 V2000 1.6667 -0.3542 0.0000 S 0 0 3 0 0 0 0 0 0 1.6625 0.4708 0.0000 N 0 0 3 0 0 0 0 0 0 2.3750 0.8875 0.0000 C 0 0 2 0 0 0 0 0 0 1.6500 2.1250 0.0000 N 0 0 3 0 0 0 0 0 0 2.3667 1.7125 0.0000 C 0 0 1 0 0 0 0 0 0 3.0917 0.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0.9375 0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 1.6417 2.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0.9292 1.7083 0.0000 C 0 0 0 0 0 0 0 0 0 1.6667 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 2.3792 0.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0.9542 0.0500 0.0000 O 0 0 0 0 0 0 0 0 0 3.1000 -5.3042 0.0000 C 0 0 0 0 0 0 0 0 0 2.3792 -6.5417 0.0000 N 0 0 0 0 0 0 0 0 0 3.1042 -0.3417 0.0000 O 0 0 0 0 0 0 0 0 0 2.3542 3.3708 0.0000 O 0 0 0 0 0 0 0 0 0 2.3792 -4.8917 0.0000 C 0 0 0 0 0 0 0 0 0 3.8042 0.9000 0.0000 N 0 0 0 0 0 0 0 0 0 3.1000 -6.1250 0.0000 C 0 0 0 0 0 0 0 0 0 2.3792 -4.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0.9542 -1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 2.3792 -1.5917 0.0000 C 0 0 0 0 0 0 0 0 0 1.6667 -3.6542 0.0000 O 0 0 0 0 0 0 0 0 0 1.6667 -2.8375 0.0000 C 0 0 0 0 0 0 0 0 0 3.0792 2.1333 0.0000 C 0 0 0 0 0 0 0 0 0 1.6667 -6.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0.9542 -2.4250 0.0000 C 0 0 0 0 0 0 0 0 0 2.3792 -2.4250 0.0000 C 0 0 0 0 0 0 0 0 0 4.5292 0.4958 0.0000 O 0 0 0 0 0 0 0 0 0 0.9292 3.3583 0.0000 C 0 0 0 0 0 0 0 0 0 1.6667 -5.3042 0.0000 C 0 0 0 0 0 0 0 0 0 3.8042 -4.8917 0.0000 C 0 0 0 0 0 0 0 0 0 3.8042 -6.5292 0.0000 C 0 0 0 0 0 0 0 0 0 4.5167 -5.2917 0.0000 C 0 0 0 0 0 0 0 0 0 4.5167 -6.1167 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 9 1 0 0 0 5 3 1 0 0 0 3 6 1 6 0 0 7 2 1 0 0 0 8 4 1 0 0 0 9 7 1 0 0 0 10 1 1 0 0 0 11 1 2 0 0 0 12 1 2 0 0 0 13 17 1 0 0 0 14 26 2 0 0 0 15 6 2 0 0 0 16 8 2 0 0 0 17 20 1 0 0 0 18 6 1 0 0 0 19 13 1 0 0 0 20 23 1 0 0 0 21 10 1 0 0 0 22 10 2 0 0 0 23 24 1 0 0 0 24 28 2 0 0 0 5 25 1 1 0 0 26 31 1 0 0 0 27 21 2 0 0 0 28 22 1 0 0 0 29 18 1 0 0 0 30 8 1 0 0 0 31 17 2 0 0 0 32 13 2 0 0 0 33 19 2 0 0 0 34 32 1 0 0 0 35 34 2 0 0 0 27 24 1 0 0 0 5 4 1 0 0 0 19 14 1 0 0 0 33 35 1 0 0 0 M END > 7.76955107862173 > 6.08092190762393 $$$$ SciTegic04151115542D 24 24 0 0 0 0 999 V2000 25.9736 -1.3500 0.0000 C 0 0 25.9724 -2.1773 0.0000 C 0 0 26.6872 -2.5902 0.0000 C 0 0 27.4037 -2.1769 0.0000 C 0 0 27.4008 -1.3463 0.0000 C 0 0 26.6854 -0.9372 0.0000 C 0 0 26.6870 -3.4152 0.0000 O 0 0 25.9725 -3.8275 0.0000 C 0 0 26.6830 -0.1122 0.0000 S 0 0 25.9673 0.2982 0.0000 N 0 0 27.2167 0.4958 0.0000 O 0 0 27.3917 -0.5208 0.0000 O 0 0 25.9648 1.1232 0.0000 C 0 0 25.2540 -0.1165 0.0000 C 0 0 1 0 0 0 26.6780 1.5378 0.0000 C 0 0 2 0 0 0 24.5383 0.2939 0.0000 C 0 0 23.8251 -0.1207 0.0000 N 0 0 24.5359 1.1189 0.0000 O 0 0 23.1094 0.2896 0.0000 O 0 0 27.3937 1.1274 0.0000 O 0 0 26.6756 2.3628 0.0000 C 0 0 27.3888 2.7774 0.0000 O 0 0 25.2565 -0.9415 0.0000 C 0 0 24.5432 -1.3561 0.0000 O 0 0 9 12 2 0 6 1 1 0 10 13 1 0 1 2 2 0 10 14 1 0 3 7 1 0 13 15 1 0 3 4 2 0 14 16 1 0 7 8 1 0 16 17 1 0 16 18 2 0 6 9 1 0 17 19 1 0 4 5 1 0 15 20 1 1 9 10 1 0 15 21 1 0 2 3 1 0 21 22 1 0 9 11 2 0 14 23 1 6 5 6 2 0 23 24 1 0 M END > 8.76955107862173 > 7.49485002168009 $$$$ 11280715152D 1 1.00000 0.00000 0 29 30 0 1 0 999 V2000 2.2917 -4.2542 0.0000 S 0 0 3 0 0 0 0 0 0 2.6750 -2.0542 0.0000 C 0 0 2 0 0 0 0 0 0 3.3875 -1.6417 0.0000 C 0 0 2 0 0 0 0 0 0 4.1000 -2.0542 0.0000 C 0 0 0 0 0 0 0 0 0 2.0875 -3.4667 0.0000 N 0 0 3 0 0 0 0 0 0 2.6750 -2.8792 0.0000 C 0 0 0 0 0 0 0 0 0 4.8167 -1.6417 0.0000 N 0 0 3 0 0 0 0 0 0 1.9542 -1.6417 0.0000 C 0 0 0 0 0 0 0 0 0 1.4917 -4.4750 0.0000 O 0 0 0 0 0 0 0 0 0 3.0917 -4.0417 0.0000 O 0 0 0 0 0 0 0 0 0 3.3875 -0.8167 0.0000 C 0 0 0 0 0 0 0 0 0 2.5042 -5.0542 0.0000 C 0 0 3 0 0 0 0 0 0 4.1000 -2.8792 0.0000 O 0 0 0 0 0 0 0 0 0 1.9542 -0.8167 0.0000 O 0 0 0 0 0 0 0 0 0 1.2417 -2.0542 0.0000 N 0 0 0 0 0 0 0 0 0 0.5292 -1.6417 0.0000 O 0 0 0 0 0 0 0 0 0 1.2625 -3.4625 0.0000 C 0 0 0 0 0 0 0 0 0 5.5250 -2.0542 0.0000 C 0 0 0 0 0 0 0 0 0 4.8042 -0.8167 0.0000 C 0 0 0 0 0 0 0 0 0 3.9667 -0.2292 0.0000 C 0 0 3 0 0 0 0 0 0 1.9292 -5.6417 0.0000 C 0 0 0 0 0 0 0 0 0 3.3125 -5.2667 0.0000 C 0 0 0 0 0 0 0 0 0 4.7875 -0.3542 0.0000 C 0 0 0 0 0 0 0 0 0 3.8292 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 5.5292 -0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 6.2375 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 4.5667 0.9625 0.0000 C 0 0 0 0 0 0 0 0 0 5.1542 0.3833 0.0000 C 0 0 0 0 0 0 0 0 0 6.2417 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 2 6 1 6 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 1 1 0 0 0 6 5 1 0 0 0 7 4 1 0 0 0 8 2 1 0 0 0 9 1 2 0 0 0 10 1 2 0 0 0 3 11 1 1 0 0 12 1 1 0 0 0 13 4 2 0 0 0 14 8 2 0 0 0 15 8 1 0 0 0 16 15 1 0 0 0 17 5 1 0 0 0 18 7 1 0 0 0 19 7 1 0 0 0 20 11 1 0 0 0 21 12 1 0 0 0 22 12 1 0 0 0 23 20 1 0 0 0 24 20 1 0 0 0 25 19 1 0 0 0 26 18 1 0 0 0 27 24 1 0 0 0 28 23 1 0 0 0 29 25 1 0 0 0 28 27 1 0 0 0 26 29 1 0 0 0 M END > 7.39794000867204 > 8.30102999566398 $$$$ SciTegic02211115552D 28 31 0 0 0 0 999 V2000 5.9547 -15.2808 0.0000 C 0 0 6.7798 -15.2808 0.0000 N 0 0 7.0366 -14.4966 0.0000 C 0 0 6.3673 -14.0097 0.0000 C 0 0 1 0 0 0 5.7022 -14.4966 0.0000 N 0 0 5.4689 -15.9476 0.0000 O 0 0 7.8217 -14.2427 0.0000 O 0 0 5.9464 -13.2931 0.0000 C 0 0 6.7715 -13.2931 0.0000 C 0 0 5.5256 -12.5763 0.0000 C 0 0 5.1078 -11.8648 0.0000 C 0 0 5.5187 -11.1444 0.0000 C 0 0 5.1016 -10.4335 0.0000 N 0 0 4.2880 -11.8697 0.0000 C 0 0 7.5966 -13.2848 0.0000 N 0 0 8.0882 -13.9473 0.0000 C 0 0 8.0748 -12.6124 0.0000 C 0 0 7.8119 -11.8303 0.0000 O 0 0 8.8620 -12.8593 0.0000 C 0 0 8.8691 -13.6829 0.0000 C 0 0 9.5848 -14.0867 0.0000 C 0 0 10.2939 -13.6682 0.0000 C 0 0 10.2827 -12.8415 0.0000 C 0 0 9.5665 -12.4414 0.0000 C 0 0 10.9915 -12.4192 0.0000 O 0 0 11.7117 -12.8218 0.0000 C 0 0 3.8686 -11.1616 0.0000 C 0 0 4.2790 -10.4414 0.0000 C 0 0 27 14 2 0 14 11 1 0 3 7 2 0 9 15 1 0 15 16 1 0 2 3 1 0 4 8 1 1 16 20 1 0 19 17 1 0 17 15 1 0 3 4 1 0 17 18 2 0 4 9 1 0 4 5 1 0 19 20 2 0 8 10 3 0 20 21 1 0 5 1 1 0 21 22 2 0 10 11 1 0 22 23 1 0 1 2 1 0 23 24 2 0 24 19 1 0 11 12 2 0 23 25 1 0 1 6 2 0 25 26 1 0 27 28 1 0 12 13 1 0 13 28 2 0 M END > 5.53461714855158 > 5.2839966563652 $$$$ 11280715122D 1 1.00000 0.00000 0 29 31 0 0 0 999 V2000 5.2292 -0.7667 0.0000 S 0 0 3 0 0 0 0 0 0 5.4125 -1.5792 0.0000 N 0 0 3 0 0 0 0 0 0 4.7667 -2.0875 0.0000 C 0 0 3 0 0 0 0 0 0 4.0250 -1.7250 0.0000 C 0 0 0 0 0 0 0 0 0 5.4125 -3.4292 0.0000 N 0 0 3 0 0 0 0 0 0 5.8375 -0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 4.7667 -2.9167 0.0000 C 0 0 0 0 0 0 0 0 0 4.4292 -0.5542 0.0000 O 0 0 0 0 0 0 0 0 0 6.0292 -0.9792 0.0000 O 0 0 0 0 0 0 0 0 0 3.9667 -0.9042 0.0000 O 0 0 0 0 0 0 0 0 0 3.3417 -2.1875 0.0000 N 0 0 0 0 0 0 0 0 0 5.2292 -4.2292 0.0000 C 0 0 0 0 0 0 0 0 0 6.2167 -1.7625 0.0000 C 0 0 0 0 0 0 0 0 0 6.6250 -0.4542 0.0000 C 0 0 0 0 0 0 0 0 0 5.6542 0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 6.5667 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 7.0500 0.9083 0.0000 C 0 0 0 0 0 0 0 0 0 6.2167 -3.2417 0.0000 C 0 0 0 0 0 0 0 0 0 6.2542 1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 7.2292 0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 4.4417 -4.4750 0.0000 C 0 0 0 0 0 0 0 0 0 2.6000 -1.8292 0.0000 O 0 0 0 0 0 0 0 0 0 7.6542 1.4625 0.0000 O 0 0 0 0 0 0 0 0 0 3.8417 -3.9125 0.0000 C 0 0 0 0 0 0 0 0 0 4.2667 -5.2792 0.0000 C 0 0 0 0 0 0 0 0 0 8.4417 1.2208 0.0000 C 0 0 0 0 0 0 0 0 0 3.4792 -5.5250 0.0000 C 0 0 0 0 0 0 0 0 0 3.0542 -4.1542 0.0000 C 0 0 0 0 0 0 0 0 0 2.8667 -4.9625 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 7 1 0 0 0 6 1 1 0 0 0 7 3 1 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 4 2 0 0 0 11 4 1 0 0 0 12 5 1 0 0 0 13 2 1 0 0 0 14 6 2 0 0 0 15 6 1 0 0 0 16 13 1 0 0 0 17 19 1 0 0 0 18 16 1 0 0 0 19 15 2 0 0 0 20 14 1 0 0 0 21 12 1 0 0 0 22 11 1 0 0 0 23 17 1 0 0 0 24 21 2 0 0 0 25 21 1 0 0 0 26 23 1 0 0 0 27 25 2 0 0 0 28 24 1 0 0 0 29 27 1 0 0 0 17 20 2 0 0 0 5 18 1 0 0 0 29 28 2 0 0 0 M END > 7.18708664335714 > 6.35163998901907 $$$$ 11280715162D 1 1.00000 0.00000 0 41 45 0 0 0 999 V2000 3.6250 -1.5167 0.0000 S 0 0 3 0 0 0 0 0 0 1.4792 -1.1125 0.0000 C 0 0 0 0 0 0 0 0 0 2.9042 -1.1042 0.0000 N 0 0 3 0 0 0 0 0 0 2.1917 -1.5250 0.0000 C 0 0 0 0 0 0 0 0 0 2.1917 -2.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0.7667 -1.5250 0.0000 C 0 0 0 0 0 0 0 0 0 1.4750 -0.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0.7667 -2.3542 0.0000 C 0 0 0 0 0 0 0 0 0 4.3375 -1.9292 0.0000 C 0 0 0 0 0 0 0 0 0 1.4792 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 2.9125 -3.5917 0.0000 N 0 0 3 0 0 0 0 0 0 0.0500 -2.7625 0.0000 C 0 0 0 0 0 0 0 0 0 4.3375 -1.1042 0.0000 O 0 0 0 0 0 0 0 0 0 3.6250 -2.3417 0.0000 O 0 0 0 0 0 0 0 0 0 2.9125 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 2.9167 -5.2375 0.0000 N 0 0 3 0 0 0 0 0 0 -0.6625 -2.3375 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3750 -2.7417 0.0000 C 0 0 0 0 0 0 0 0 0 2.1917 0.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0.0417 -3.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0.7625 0.1208 0.0000 N 0 0 0 0 0 0 0 0 0 5.0417 -1.5167 0.0000 C 0 0 0 0 0 0 0 0 0 4.3292 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3875 -3.5667 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6708 -3.9875 0.0000 C 0 0 0 0 0 0 0 0 0 2.1917 -4.0042 0.0000 C 0 0 0 0 0 0 0 0 0 3.6250 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 3.6292 -4.8167 0.0000 C 0 0 0 0 0 0 0 0 0 2.1917 -4.8250 0.0000 C 0 0 0 0 0 0 0 0 0 2.9042 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 5.7542 -2.7417 0.0000 C 0 0 0 0 0 0 0 0 0 5.0417 -3.1542 0.0000 C 0 0 0 0 0 0 0 0 0 5.7542 -1.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0.7542 0.9458 0.0000 O 0 0 0 0 0 0 0 0 0 6.4667 -3.1542 0.0000 O 0 0 0 0 0 0 0 0 0 2.9167 -6.0625 0.0000 C 0 0 0 0 0 0 0 0 0 -2.0833 -2.3250 0.0000 C 0 0 0 0 0 0 0 0 0 -2.1083 -3.9667 0.0000 C 0 0 0 0 0 0 0 0 0 7.1792 -2.7375 0.0000 C 0 0 0 0 0 0 0 0 0 -2.8000 -2.7292 0.0000 C 0 0 0 0 0 0 0 0 0 -2.8083 -3.5542 0.0000 C 0 0 0 0 0 0 0 0 0 2 4 2 0 0 0 3 1 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 6 2 1 0 0 0 7 2 1 0 0 0 8 10 1 0 0 0 9 1 1 0 0 0 10 5 2 0 0 0 11 15 1 0 0 0 12 8 1 0 0 0 13 1 2 0 0 0 14 1 2 0 0 0 15 5 1 0 0 0 16 28 1 0 0 0 17 12 2 0 0 0 18 17 1 0 0 0 19 7 2 0 0 0 20 12 1 0 0 0 21 7 1 0 0 0 22 9 1 0 0 0 23 9 2 0 0 0 24 25 1 0 0 0 25 20 2 0 0 0 26 11 1 0 0 0 27 11 1 0 0 0 28 27 1 0 0 0 29 26 1 0 0 0 30 3 1 0 0 0 31 32 2 0 0 0 32 23 1 0 0 0 33 22 2 0 0 0 34 21 1 0 0 0 35 31 1 0 0 0 36 16 1 0 0 0 37 18 2 0 0 0 38 24 2 0 0 0 39 35 1 0 0 0 40 37 1 0 0 0 41 38 1 0 0 0 31 33 1 0 0 0 8 6 2 0 0 0 16 29 1 0 0 0 18 24 1 0 0 0 41 40 2 0 0 0 M END > 8.52287874528034 > 6.46470587995723 $$$$ 11280715322D 1 1.00000 0.00000 0 33 35 0 1 0 999 V2000 0.0167 -2.0292 0.0000 N 0 0 3 0 0 0 0 0 0 0.0167 -1.4292 0.0000 S 0 0 3 0 0 0 0 0 0 0.6667 -3.4417 0.0000 N 0 0 3 0 0 0 0 0 0 1.2750 -3.4417 0.0000 C 0 0 0 0 0 0 0 0 0 -0.4708 -2.3792 0.0000 C 0 0 2 0 0 0 0 0 0 0.4875 -4.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0.3167 -2.9542 0.0000 C 0 0 2 0 0 0 0 0 0 1.4542 -4.0042 0.0000 N 0 0 3 0 0 0 0 0 0 0.5042 -2.3792 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2833 -2.9542 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0375 -2.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0.9750 -4.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0.5375 -1.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0.0125 -0.8292 0.0000 O 0 0 0 0 0 0 0 0 0 -0.5708 -1.2750 0.0000 O 0 0 0 0 0 0 0 0 0 1.6250 -2.9542 0.0000 O 0 0 0 0 0 0 0 0 0 0.0250 -4.2042 0.0000 O 0 0 0 0 0 0 0 0 0 -1.1625 -1.6125 0.0000 O 0 0 0 0 0 0 0 0 0 -1.4833 -2.6000 0.0000 N 0 0 0 0 0 0 0 0 0 0.5375 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 1.0542 -1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 2.0292 -4.1917 0.0000 C 0 0 0 0 0 0 0 0 0 1.5792 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 1.0542 -0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 1.5792 -1.1292 0.0000 C 0 0 0 0 0 0 0 0 0 -2.0583 -2.4167 0.0000 O 0 0 0 0 0 0 0 0 0 2.0917 -0.2292 0.0000 O 0 0 0 0 0 0 0 0 0 3.6500 -0.5167 0.0000 O 0 0 0 0 0 0 0 0 0 2.6167 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 3.1292 -0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 4.1667 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 2.1542 -4.7792 0.0000 C 0 0 0 0 0 0 0 0 0 2.7250 -4.9667 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 7 3 1 1 0 0 4 3 1 0 0 0 5 1 1 0 0 0 6 3 1 0 0 0 7 9 1 0 0 0 8 4 1 0 0 0 9 1 1 0 0 0 5 10 1 6 0 0 11 5 1 0 0 0 12 6 1 0 0 0 13 2 1 0 0 0 14 2 2 0 0 0 15 2 2 0 0 0 16 4 2 0 0 0 17 6 2 0 0 0 18 11 2 0 0 0 19 11 1 0 0 0 20 13 1 0 0 0 21 13 2 0 0 0 22 8 1 0 0 0 23 25 2 0 0 0 24 20 2 0 0 0 25 21 1 0 0 0 26 19 1 0 0 0 27 23 1 0 0 0 28 30 1 0 0 0 29 27 1 0 0 0 30 29 1 0 0 0 31 28 1 0 0 0 32 22 1 0 0 0 33 32 1 0 0 0 7 10 1 0 0 0 23 24 1 0 0 0 8 12 1 0 0 0 M END > 8.69897000433602 > 5.60205999132796 $$$$ 11280715452D 1 1.00000 0.00000 0 30 32 0 1 0 999 V2000 0.6250 -0.4417 0.0000 S 0 0 3 0 0 0 0 0 0 0.6250 0.3833 0.0000 N 0 0 3 0 0 0 0 0 0 1.3375 0.7958 0.0000 C 0 0 1 0 0 0 0 0 0 2.0500 0.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0.6167 -1.2667 0.0000 C 0 0 0 0 0 0 0 0 0 1.3375 1.6208 0.0000 C 0 0 2 0 0 0 0 0 0 1.4500 -0.4417 0.0000 O 0 0 0 0 0 0 0 0 0 -0.2000 -0.4375 0.0000 O 0 0 0 0 0 0 0 0 0 2.4542 -0.3292 0.0000 O 0 0 0 0 0 0 0 0 0 2.7625 0.7958 0.0000 N 0 0 0 0 0 0 0 0 0 -0.0833 0.7958 0.0000 C 0 0 0 0 0 0 0 0 0 1.3250 -1.6792 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1000 -1.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0.5917 -3.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0.6000 -2.9125 0.0000 C 0 0 0 0 0 0 0 0 0 1.3292 2.4458 0.0000 O 0 0 0 0 0 0 0 0 0 2.7292 -4.1500 0.0000 C 0 0 0 0 0 0 0 0 0 3.4417 -3.7375 0.0000 C 0 0 0 0 0 0 0 0 0 1.3042 -4.1500 0.0000 C 0 0 0 0 0 0 0 0 0 2.0167 -3.7292 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1083 -2.4917 0.0000 C 0 0 0 0 0 0 0 0 0 1.3167 -2.5042 0.0000 C 0 0 0 0 0 0 0 0 0 4.1542 -4.1500 0.0000 Cl 0 0 0 0 0 0 0 0 0 3.4750 0.3833 0.0000 O 0 0 0 0 0 0 0 0 0 0.6250 2.0333 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0833 1.6208 0.0000 C 0 0 0 0 0 0 0 0 0 2.1292 1.8333 0.0000 C 0 0 0 0 0 0 0 0 0 2.7250 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 3.4417 -2.9125 0.0000 C 0 0 0 0 0 0 0 0 0 2.0042 -2.9125 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 3 4 1 6 0 0 5 1 1 0 0 0 6 3 1 0 0 0 7 1 2 0 0 0 8 1 2 0 0 0 9 4 2 0 0 0 10 4 1 0 0 0 11 2 1 0 0 0 12 5 1 0 0 0 13 5 2 0 0 0 14 15 1 0 0 0 15 21 2 0 0 0 6 16 1 1 0 0 17 20 2 0 0 0 18 17 1 0 0 0 19 14 1 0 0 0 20 19 1 0 0 0 21 13 1 0 0 0 22 12 2 0 0 0 23 18 1 0 0 0 24 10 1 0 0 0 25 26 1 0 0 0 26 11 1 0 0 0 6 27 1 6 0 0 28 30 2 0 0 0 29 28 1 0 0 0 30 20 1 0 0 0 15 22 1 0 0 0 25 6 1 0 0 0 29 18 2 0 0 0 M END > 8.60205999132796 > 6.06550154875643 $$$$ 11280715172D 1 1.00000 0.00000 0 33 34 0 0 0 999 V2000 2.0167 -1.2417 0.0000 S 0 0 3 0 0 0 0 0 0 1.4167 -1.2417 0.0000 N 0 0 3 0 0 0 0 0 0 1.1167 -1.7542 0.0000 C 0 0 3 0 0 0 0 0 0 1.4125 -2.2792 0.0000 C 0 0 0 0 0 0 0 0 0 2.0167 -0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 2.0167 -1.8417 0.0000 O 0 0 0 0 0 0 0 0 0 2.6167 -1.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0.9917 -0.8167 0.0000 C 0 0 0 0 0 0 0 0 0 1.9917 -2.4292 0.0000 O 0 0 0 0 0 0 0 0 0 1.2542 -2.8542 0.0000 N 0 0 0 0 0 0 0 0 0 0.5292 -1.9167 0.0000 C 0 0 0 0 0 0 0 0 0 1.5000 -0.3417 0.0000 C 0 0 0 0 0 0 0 0 0 2.5375 -0.3417 0.0000 C 0 0 0 0 0 0 0 0 0 2.0167 0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 -1.6833 -2.6667 0.0000 C 0 0 0 0 0 0 0 0 0 1.5000 0.2583 0.0000 C 0 0 0 0 0 0 0 0 0 2.5375 0.2583 0.0000 C 0 0 0 0 0 0 0 0 0 -2.2708 -2.8167 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3708 -2.4292 0.0000 S 0 0 0 0 0 0 0 0 0 1.2500 -3.4542 0.0000 O 0 0 0 0 0 0 0 0 0 -1.2583 -3.0917 0.0000 C 0 0 0 0 0 0 0 0 0 2.0042 1.1583 0.0000 O 0 0 0 0 0 0 0 0 0 -2.6958 -2.3917 0.0000 O 0 0 0 0 0 0 0 0 0 0.3917 -0.8167 0.0000 C 0 0 3 0 0 0 0 0 0 -1.9958 -3.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0.2292 -2.4292 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6750 -2.9417 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4250 -3.4042 0.0000 C 0 0 0 0 0 0 0 0 0 -1.4208 -3.6792 0.0000 C 0 0 0 0 0 0 0 0 0 2.5292 1.4583 0.0000 C 0 0 0 0 0 0 0 0 0 -2.5375 -1.8042 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0333 -0.3917 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0333 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 1 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 2 1 0 0 0 9 4 2 0 0 0 10 4 1 0 0 0 11 3 1 0 0 0 12 5 1 0 0 0 13 5 2 0 0 0 14 17 2 0 0 0 15 21 2 0 0 0 16 12 2 0 0 0 17 13 1 0 0 0 18 15 1 0 0 0 19 26 1 0 0 0 20 10 1 0 0 0 21 27 1 0 0 0 22 14 1 0 0 0 23 18 1 0 0 0 24 8 1 0 0 0 25 29 2 0 0 0 26 11 1 0 0 0 27 19 1 0 0 0 28 25 1 0 0 0 29 21 1 0 0 0 30 22 1 0 0 0 31 23 1 0 0 0 32 24 1 0 0 0 33 24 1 0 0 0 16 14 1 0 0 0 28 18 2 0 0 0 M END > 8.27572413039921 > 6.52724355068279 $$$$ 11280715162D 1 1.00000 0.00000 0 38 41 0 0 0 999 V2000 3.6250 -1.5167 0.0000 S 0 0 3 0 0 0 0 0 0 1.4792 -1.1125 0.0000 C 0 0 0 0 0 0 0 0 0 2.9042 -1.1042 0.0000 N 0 0 3 0 0 0 0 0 0 2.1917 -1.5250 0.0000 C 0 0 0 0 0 0 0 0 0 2.1917 -2.3542 0.0000 C 0 0 0 0 0 0 0 0 0 1.4750 -0.2875 0.0000 C 0 0 0 0 0 0 0 0 0 4.3375 -1.9292 0.0000 C 0 0 0 0 0 0 0 0 0 2.9125 -3.5917 0.0000 N 0 0 3 0 0 0 0 0 0 3.6250 -2.3417 0.0000 O 0 0 0 0 0 0 0 0 0 4.3375 -1.1042 0.0000 O 0 0 0 0 0 0 0 0 0 0.7667 -1.5250 0.0000 C 0 0 0 0 0 0 0 0 0 2.9125 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 2.9167 -5.2375 0.0000 N 0 0 3 0 0 0 0 0 0 1.4792 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0.7667 -2.3542 0.0000 C 0 0 0 0 0 0 0 0 0 2.1917 0.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0.7625 0.1208 0.0000 N 0 0 0 0 0 0 0 0 0 5.0417 -1.5167 0.0000 C 0 0 0 0 0 0 0 0 0 4.3292 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 6.4667 -3.1542 0.0000 O 0 0 0 0 0 0 0 0 0 2.1917 -4.0042 0.0000 C 0 0 0 0 0 0 0 0 0 3.6250 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 3.6292 -4.8167 0.0000 C 0 0 0 0 0 0 0 0 0 2.1917 -4.8250 0.0000 C 0 0 0 0 0 0 0 0 0 5.7542 -2.7417 0.0000 C 0 0 0 0 0 0 0 0 0 7.1792 -2.7375 0.0000 C 0 0 0 0 0 0 0 0 0 2.9042 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 8.6000 -1.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0.0500 -2.7625 0.0000 Br 0 0 0 0 0 0 0 0 0 5.0417 -3.1542 0.0000 C 0 0 0 0 0 0 0 0 0 5.7542 -1.9167 0.0000 C 0 0 0 0 0 0 0 0 0 9.3125 -1.4917 0.0000 Cl 0 0 0 0 0 0 0 0 0 7.8917 -3.1542 0.0000 C 0 0 0 0 0 0 0 0 0 7.1667 -1.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0.7542 0.9458 0.0000 O 0 0 0 0 0 0 0 0 0 7.8792 -1.5042 0.0000 C 0 0 0 0 0 0 0 0 0 8.6042 -2.7375 0.0000 C 0 0 0 0 0 0 0 0 0 2.9167 -6.0625 0.0000 C 0 0 0 0 0 0 0 0 0 2 4 2 0 0 0 3 1 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 6 2 1 0 0 0 7 1 1 0 0 0 8 12 1 0 0 0 9 1 2 0 0 0 10 1 2 0 0 0 11 2 1 0 0 0 12 5 1 0 0 0 13 23 1 0 0 0 14 5 2 0 0 0 15 14 1 0 0 0 16 6 2 0 0 0 17 6 1 0 0 0 18 7 1 0 0 0 19 7 2 0 0 0 20 25 1 0 0 0 21 8 1 0 0 0 22 8 1 0 0 0 23 22 1 0 0 0 24 21 1 0 0 0 25 30 2 0 0 0 26 20 1 0 0 0 27 3 1 0 0 0 28 36 1 0 0 0 29 15 1 0 0 0 30 19 1 0 0 0 31 18 2 0 0 0 32 28 1 0 0 0 33 26 2 0 0 0 34 26 1 0 0 0 35 17 1 0 0 0 36 34 2 0 0 0 37 33 1 0 0 0 38 13 1 0 0 0 31 25 1 0 0 0 11 15 2 0 0 0 24 13 1 0 0 0 37 28 2 0 0 0 M END > 9.15490195998574 > 7.08618614761628 $$$$ 11280715442D 1 1.00000 0.00000 0 37 39 0 0 0 999 V2000 -0.3125 0.6750 0.0000 S 0 0 3 0 0 0 0 0 0 -0.3333 -0.0042 0.0000 N 0 0 3 0 0 0 0 0 0 -0.8958 -0.3875 0.0000 C 0 0 3 0 0 0 0 0 0 -0.4500 -1.5292 0.0000 N 0 0 3 0 0 0 0 0 0 0.2167 -1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 -0.9500 -1.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0.3167 -0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0.5542 -0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 -1.4750 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6583 -2.1792 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2958 1.3583 0.0000 C 0 0 0 0 0 0 0 0 0 -0.9958 0.7083 0.0000 O 0 0 0 0 0 0 0 0 0 0.3625 0.6583 0.0000 O 0 0 0 0 0 0 0 0 0 0.3917 4.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0.4167 5.0750 0.0000 C 0 0 0 0 0 0 0 0 0 1.5667 -3.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0.5542 -2.0167 0.0000 C 0 0 0 0 0 0 0 0 0 -1.4750 0.6458 0.0000 O 0 0 0 0 0 0 0 0 0 1.2292 -3.1917 0.0000 N 0 0 0 0 0 0 0 0 0 1.2375 -0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2000 -2.6792 0.0000 O 0 0 0 0 0 0 0 0 0 -2.0708 -0.3792 0.0000 N 0 0 0 0 0 0 0 0 0 2.2417 -3.7875 0.0000 O 0 0 0 0 0 0 0 0 0 0.3167 1.6833 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8625 1.7208 0.0000 C 0 0 0 0 0 0 0 0 0 1.2375 -2.0167 0.0000 C 0 0 0 0 0 0 0 0 0 1.5667 -2.6042 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2458 2.7208 0.0000 C 0 0 0 0 0 0 0 0 0 1.5750 -1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8500 2.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0.3292 2.3583 0.0000 C 0 0 0 0 0 0 0 0 0 -2.6583 -0.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0.3750 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2208 3.3958 0.0000 O 0 0 0 0 0 0 0 0 0 -1.3208 -2.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0.4375 5.7542 0.0000 C 0 0 0 0 0 0 0 0 0 1.2250 -4.3667 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 6 1 0 0 0 5 8 2 0 0 0 6 3 1 0 0 0 7 2 1 0 0 0 8 7 1 0 0 0 9 3 1 0 0 0 10 4 1 0 0 0 11 1 1 0 0 0 12 1 2 0 0 0 13 1 2 0 0 0 14 33 1 0 0 0 15 14 3 0 0 0 16 19 1 0 0 0 17 5 1 0 0 0 18 9 2 0 0 0 19 27 1 0 0 0 20 8 1 0 0 0 21 10 2 0 0 0 22 9 1 0 0 0 23 16 2 0 0 0 24 11 2 0 0 0 25 11 1 0 0 0 26 29 1 0 0 0 27 26 1 0 0 0 28 30 1 0 0 0 29 20 2 0 0 0 30 25 2 0 0 0 31 24 1 0 0 0 32 22 1 0 0 0 33 34 1 0 0 0 34 28 1 0 0 0 35 10 1 0 0 0 36 15 1 0 0 0 37 16 1 0 0 0 31 28 2 0 0 0 4 5 1 0 0 0 17 26 2 0 0 0 M END > 7.92081875395237 > 6.23807216157947 $$$$ 11280715162D 1 1.00000 0.00000 0 27 29 0 1 0 999 V2000 2.1542 1.2125 0.0000 S 0 0 3 0 0 0 0 0 0 1.4417 0.8000 0.0000 N 0 0 3 0 0 0 0 0 0 0.7375 1.2125 0.0000 C 0 0 1 0 0 0 0 0 0 0.0167 0.7958 0.0000 C 0 0 0 0 0 0 0 0 0 2.9500 1.4250 0.0000 O 0 0 0 0 0 0 0 0 0 2.3667 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 1.4417 -0.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0.0167 -0.0292 0.0000 O 0 0 0 0 0 0 0 0 0 3.5875 -1.2625 0.0000 C 0 0 0 0 0 0 0 0 0 4.3000 -1.6667 0.0000 C 0 0 0 0 0 0 0 0 0 2.1542 2.0375 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6958 1.2083 0.0000 N 0 0 0 0 0 0 0 0 0 5.0125 -1.2542 0.0000 C 0 0 0 0 0 0 0 0 0 3.5792 -0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 2.8667 -1.6750 0.0000 C 0 0 0 0 0 0 0 0 0 4.3000 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 2.1625 -0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0.7375 2.0375 0.0000 C 0 0 0 0 0 0 0 0 0 5.7292 -2.4917 0.0000 C 0 0 0 0 0 0 0 0 0 2.8667 -0.0250 0.0000 C 0 0 0 0 0 0 0 0 0 2.1542 -1.2625 0.0000 C 0 0 0 0 0 0 0 0 0 5.0125 -2.9125 0.0000 C 0 0 0 0 0 0 0 0 0 5.7250 -1.6667 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6958 2.0333 0.0000 O 0 0 0 0 0 0 0 0 0 6.4417 -2.9042 0.0000 O 0 0 0 0 0 0 0 0 0 1.4417 2.4583 0.0000 C 0 0 0 0 0 0 0 0 0 7.1542 -2.4917 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 3 4 1 1 0 0 5 1 2 0 0 0 6 1 2 0 0 0 7 2 1 0 0 0 8 4 2 0 0 0 9 15 2 0 0 0 10 9 1 0 0 0 11 1 1 0 0 0 12 4 1 0 0 0 13 10 1 0 0 0 14 20 2 0 0 0 15 21 1 0 0 0 16 10 2 0 0 0 17 7 1 0 0 0 18 26 1 0 0 0 19 22 2 0 0 0 20 17 1 0 0 0 21 17 2 0 0 0 22 16 1 0 0 0 23 13 2 0 0 0 24 12 1 0 0 0 25 19 1 0 0 0 26 11 1 0 0 0 27 25 1 0 0 0 3 18 1 0 0 0 14 9 1 0 0 0 19 23 1 0 0 0 M END > 8.92081875395237 > 6.02779716162094 $$$$ 11280715332D 1 1.00000 0.00000 0 26 27 0 1 0 999 V2000 5.8042 -3.1167 0.0000 S 0 0 3 0 0 0 0 0 0 6.0917 -3.9000 0.0000 N 0 0 3 0 0 0 0 0 0 5.5667 -4.5292 0.0000 C 0 0 1 0 0 0 0 0 0 4.7417 -4.4875 0.0000 C 0 0 0 0 0 0 0 0 0 6.8542 -4.2042 0.0000 C 0 0 0 0 0 0 0 0 0 6.8000 -5.0292 0.0000 C 0 0 0 0 0 0 0 0 0 6.0042 -5.2250 0.0000 C 0 0 0 0 0 0 0 0 0 6.5875 -2.8292 0.0000 C 0 0 0 0 0 0 0 0 0 5.5167 -2.3417 0.0000 O 0 0 0 0 0 0 0 0 0 5.0292 -3.4042 0.0000 O 0 0 0 0 0 0 0 0 0 7.4250 -5.5667 0.0000 N 0 0 0 0 0 0 0 0 0 4.3667 -3.7542 0.0000 O 0 0 0 0 0 0 0 0 0 4.2875 -5.1792 0.0000 N 0 0 0 0 0 0 0 0 0 7.2167 -3.3542 0.0000 C 0 0 0 0 0 0 0 0 0 6.7292 -2.0167 0.0000 C 0 0 0 0 0 0 0 0 0 8.1292 -2.2667 0.0000 C 0 0 0 0 0 0 0 0 0 7.5000 -1.7375 0.0000 C 0 0 0 0 0 0 0 0 0 7.9875 -3.0750 0.0000 C 0 0 0 0 0 0 0 0 0 8.2000 -5.3000 0.0000 O 0 0 0 0 0 0 0 0 0 3.4625 -5.1375 0.0000 O 0 0 0 0 0 0 0 0 0 8.9167 -1.9792 0.0000 O 0 0 0 0 0 0 0 0 0 10.9542 -2.7667 0.0000 O 0 0 0 0 0 0 0 0 0 9.5500 -2.5167 0.0000 C 0 0 0 0 0 0 0 0 0 10.3250 -2.2375 0.0000 C 0 0 0 0 0 0 0 0 0 8.8292 -5.8375 0.0000 C 0 0 0 0 0 0 0 0 0 11.7250 -2.4917 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 2 1 0 0 0 6 5 1 0 0 0 3 7 1 6 0 0 8 1 1 0 0 0 9 1 2 0 0 0 10 1 2 0 0 0 11 6 2 0 0 0 12 4 2 0 0 0 13 4 1 0 0 0 14 8 2 0 0 0 15 8 1 0 0 0 16 17 1 0 0 0 17 15 2 0 0 0 18 14 1 0 0 0 19 11 1 0 0 0 20 13 1 0 0 0 21 16 1 0 0 0 22 24 1 0 0 0 23 21 1 0 0 0 24 23 1 0 0 0 25 19 1 0 0 0 26 22 1 0 0 0 16 18 2 0 0 0 6 7 1 0 0 0 M END > 9.39794000867204 > 6.96257350205938 $$$$ CDK 9/16/09,9:54 41 43 0 0 0 0 0 0 0 0999 V2000 -3.1355 -19.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4211 -19.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1355 -18.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7066 -19.4667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9921 -19.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2776 -19.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4368 -19.8792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2776 -18.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7066 -18.6417 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1513 -19.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8658 -19.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5802 -19.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2937 -19.8830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0077 -19.4712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0081 -18.6453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2887 -18.2330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5776 -18.6472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7221 -18.2319 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4333 -17.8125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1383 -18.9442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3052 -17.5200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8500 -19.8792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7125 -17.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8816 -18.6387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5316 -18.6488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9950 -17.3947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0006 -16.5663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7222 -16.1560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4396 -16.5801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4306 -17.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7291 -15.3310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0182 -14.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3020 -15.3242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4085 -14.9063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4020 -14.0805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3210 -13.6742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0285 -14.0944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5645 -19.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4211 -20.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1355 -21.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7066 -21.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 18 21 2 0 0 0 0 10 11 1 0 0 0 0 1 22 1 0 0 0 0 5 6 1 0 0 0 0 9 23 1 0 0 0 0 11 12 1 0 0 0 0 9 24 2 0 0 0 0 1 2 1 0 0 0 0 9 25 2 0 0 0 0 12 13 2 0 0 0 0 23 26 2 0 0 0 0 6 7 1 0 0 0 0 26 27 1 0 0 0 0 13 14 1 0 0 0 0 27 28 2 0 0 0 0 2 4 1 0 0 0 0 28 29 1 0 0 0 0 14 15 2 0 0 0 0 29 30 2 0 0 0 0 30 23 1 0 0 0 0 6 8 2 0 0 0 0 28 31 1 0 0 0 0 15 16 1 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 16 17 2 0 0 0 0 33 34 1 0 0 0 0 17 12 1 0 0 0 0 34 35 2 0 0 0 0 4 9 1 0 0 0 0 35 36 1 0 0 0 0 15 18 1 0 0 0 0 36 37 2 0 0 0 0 37 32 1 0 0 0 0 4 5 1 0 0 0 0 22 38 1 0 0 0 0 18 19 1 0 0 0 0 2 39 1 6 0 0 0 7 10 1 0 0 0 0 39 40 1 0 0 0 0 18 20 2 0 0 0 0 39 41 1 0 0 0 0 M END > 9.92081875395237 > 8.10790539730952 $$$$ 11280715082D 1 1.00000 0.00000 0 33 36 0 0 0 999 V2000 9.0167 -11.3917 0.0000 C 0 0 3 0 0 0 0 0 0 8.3042 -11.8125 0.0000 S 0 0 3 0 0 0 0 0 0 9.7375 -11.7917 0.0000 C 0 0 0 0 0 0 0 0 0 8.3042 -10.9875 0.0000 C 0 0 0 0 0 0 0 0 0 9.7292 -10.9875 0.0000 C 0 0 0 0 0 0 0 0 0 11.8750 -7.2667 0.0000 C 0 0 0 0 0 0 0 0 0 7.5875 -11.4000 0.0000 C 0 0 0 0 0 0 0 0 0 9.0167 -9.7417 0.0000 N 0 0 3 0 0 0 0 0 0 12.6292 -7.6042 0.0000 S 0 0 0 0 0 0 0 0 0 8.8875 -12.3917 0.0000 O 0 0 0 0 0 0 0 0 0 7.7167 -12.3917 0.0000 O 0 0 0 0 0 0 0 0 0 11.1625 -7.6792 0.0000 C 0 0 0 0 0 0 0 0 0 9.7500 -12.6167 0.0000 O 0 0 0 0 0 0 0 0 0 11.9542 -6.4417 0.0000 C 0 0 0 0 0 0 0 0 0 13.1792 -6.9875 0.0000 C 0 0 0 0 0 0 0 0 0 10.4417 -11.3750 0.0000 N 0 0 0 0 0 0 0 0 0 9.7292 -10.1625 0.0000 C 0 0 0 0 0 0 0 0 0 8.3042 -10.1625 0.0000 C 0 0 0 0 0 0 0 0 0 12.7667 -6.2750 0.0000 C 0 0 0 0 0 0 0 0 0 6.8667 -11.8125 0.0000 C 0 0 0 0 0 0 0 0 0 7.5875 -10.5667 0.0000 C 0 0 0 0 0 0 0 0 0 9.0167 -8.9167 0.0000 C 0 0 0 0 0 0 0 0 0 10.4417 -7.2750 0.0000 C 0 0 0 0 0 0 0 0 0 11.1542 -8.5125 0.0000 C 0 0 0 0 0 0 0 0 0 9.7292 -8.5042 0.0000 C 0 0 0 0 0 0 0 0 0 6.1542 -10.5750 0.0000 C 0 0 0 0 0 0 0 0 0 9.7292 -7.6875 0.0000 C 0 0 0 0 0 0 0 0 0 10.4417 -8.9250 0.0000 C 0 0 0 0 0 0 0 0 0 6.1542 -11.4000 0.0000 C 0 0 0 0 0 0 0 0 0 6.8667 -10.1542 0.0000 C 0 0 0 0 0 0 0 0 0 11.1667 -11.7750 0.0000 O 0 0 0 0 0 0 0 0 0 5.4417 -10.1542 0.0000 O 0 0 0 0 0 0 0 0 0 4.7292 -10.5667 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 1 1 0 0 0 5 1 1 0 0 0 6 12 1 0 0 0 7 2 1 0 0 0 8 17 1 0 0 0 9 6 1 0 0 0 10 2 2 0 0 0 11 2 2 0 0 0 12 24 2 0 0 0 13 3 2 0 0 0 14 6 2 0 0 0 15 9 1 0 0 0 16 3 1 0 0 0 17 5 1 0 0 0 18 4 1 0 0 0 19 14 1 0 0 0 20 7 2 0 0 0 21 7 1 0 0 0 22 8 1 0 0 0 23 27 2 0 0 0 24 28 1 0 0 0 25 22 1 0 0 0 26 30 1 0 0 0 27 25 1 0 0 0 28 25 2 0 0 0 29 20 1 0 0 0 30 21 2 0 0 0 31 16 1 0 0 0 32 26 1 0 0 0 33 32 1 0 0 0 18 8 1 0 0 0 26 29 2 0 0 0 23 12 1 0 0 0 15 19 2 0 0 0 M END > 8.52287874528034 > 6.27490547891853 $$$$ 11280715442D 1 1.00000 0.00000 0 27 29 0 1 0 999 V2000 -0.3458 0.9625 0.0000 S 0 0 3 0 0 0 0 0 0 -0.3458 1.7833 0.0000 C 0 0 1 0 0 0 0 0 0 0.3792 2.1958 0.0000 C 0 0 2 0 0 0 0 0 0 1.0917 1.7708 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3458 0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1708 0.9708 0.0000 O 0 0 0 0 0 0 0 0 0 0.4792 0.9625 0.0000 O 0 0 0 0 0 0 0 0 0 1.0792 0.9500 0.0000 O 0 0 0 0 0 0 0 0 0 -0.3458 -1.5125 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3458 -2.3375 0.0000 C 0 0 0 0 0 0 0 0 0 1.8042 2.1708 0.0000 N 0 0 0 0 0 0 0 0 0 0.9542 2.7833 0.0000 O 0 0 0 0 0 0 0 0 0 -1.0500 2.1958 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0625 -0.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0.3750 -0.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0.3875 3.0083 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3208 3.4333 0.0000 O 0 0 0 0 0 0 0 0 0 -1.0625 -1.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0.3667 -1.1125 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0625 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0.3750 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0625 -3.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0.3750 -3.5750 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3458 -3.9875 0.0000 C 0 0 0 0 0 0 0 0 0 2.5167 1.7625 0.0000 O 0 0 0 0 0 0 0 0 0 -1.0458 3.0333 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3458 -4.8125 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 6 0 0 3 2 1 0 0 0 3 4 1 6 0 0 5 1 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 4 2 0 0 0 9 19 2 0 0 0 10 9 1 0 0 0 11 4 1 0 0 0 3 12 1 1 0 0 13 2 1 0 0 0 14 5 1 0 0 0 15 5 2 0 0 0 16 3 1 0 0 0 17 26 1 0 0 0 18 14 2 0 0 0 19 15 1 0 0 0 20 10 2 0 0 0 21 10 1 0 0 0 22 20 1 0 0 0 23 21 2 0 0 0 24 23 1 0 0 0 25 11 1 0 0 0 26 13 1 0 0 0 27 24 1 0 0 0 18 9 1 0 0 0 16 17 1 0 0 0 22 24 2 0 0 0 M END > 9.4089353929735 > 8.52287874528034 $$$$ 11280715202D 1 1.00000 0.00000 0 29 31 0 1 0 999 V2000 9.2250 -3.0667 0.0000 S 0 0 3 0 0 0 0 0 0 4.4667 -0.8000 0.0000 N 0 0 0 0 0 0 0 0 0 5.7667 -1.5542 0.0000 C 0 0 0 0 0 0 0 0 0 6.6292 -1.5542 0.0000 N 0 0 0 0 0 0 0 0 0 5.3375 -0.8042 0.0000 N 0 0 0 0 0 0 0 0 0 8.3542 -3.0667 0.0000 N 0 0 0 0 0 0 0 0 0 7.0625 -2.3125 0.0000 C 0 0 0 0 0 0 0 0 0 7.9292 -2.3167 0.0000 C 0 0 1 0 0 0 0 0 0 4.0375 -1.5417 0.0000 C 0 0 0 0 0 0 0 0 0 5.3292 -2.3042 0.0000 S 0 0 0 0 0 0 0 0 0 9.2167 -2.2042 0.0000 O 0 0 0 0 0 0 0 0 0 10.0792 -3.0667 0.0000 O 0 0 0 0 0 0 0 0 0 9.2375 -3.8917 0.0000 C 0 0 0 0 0 0 0 0 0 3.1667 -1.5417 0.0000 C 0 0 0 0 0 0 0 0 0 4.4667 -2.3000 0.0000 C 0 0 0 0 0 0 0 0 0 6.6250 -3.0542 0.0000 O 0 0 0 0 0 0 0 0 0 2.7417 -2.2875 0.0000 C 0 0 0 0 0 0 0 0 0 2.7417 -0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 1.8750 -0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 1.8750 -2.2917 0.0000 C 0 0 0 0 0 0 0 0 0 1.4417 -1.5375 0.0000 C 0 0 0 0 0 0 0 0 0 7.9250 -1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 8.5250 -4.3167 0.0000 C 0 0 0 0 0 0 0 0 0 9.9542 -4.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0.5750 -1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 9.9667 -5.1167 0.0000 C 0 0 0 0 0 0 0 0 0 8.5292 -5.1375 0.0000 C 0 0 0 0 0 0 0 0 0 9.2542 -5.5417 0.0000 C 0 0 0 0 0 0 0 0 0 8.7625 -2.0875 0.0000 H 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 3 4 1 0 0 0 4 7 1 0 0 0 5 3 2 0 0 0 6 1 1 0 0 0 7 8 1 0 0 0 8 6 1 0 0 0 9 15 1 0 0 0 10 3 1 0 0 0 11 1 2 0 0 0 12 1 2 0 0 0 13 1 1 0 0 0 14 9 1 0 0 0 15 10 1 0 0 0 16 7 2 0 0 0 17 14 1 0 0 0 18 14 2 0 0 0 19 18 1 0 0 0 20 17 2 0 0 0 21 19 2 0 0 0 8 22 1 1 0 0 23 13 2 0 0 0 24 13 1 0 0 0 25 21 1 0 0 0 26 24 2 0 0 0 27 23 1 0 0 0 28 26 1 0 0 0 8 29 1 6 0 0 27 28 2 0 0 0 2 9 2 0 0 0 20 21 1 0 0 0 M END > 6.49485002168009 > 6.33724216831843 $$$$ 11280715172D 1 1.00000 0.00000 0 36 38 0 0 0 999 V2000 6.9417 -2.9042 0.0000 S 0 0 3 0 0 0 0 0 0 6.3417 -2.9042 0.0000 N 0 0 3 0 0 0 0 0 0 5.9167 -2.4792 0.0000 C 0 0 0 0 0 0 0 0 0 6.0417 -3.4125 0.0000 C 0 0 3 0 0 0 0 0 0 5.3167 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 6.3417 -3.9375 0.0000 C 0 0 0 0 0 0 0 0 0 5.0167 -1.9542 0.0000 N 0 0 3 0 0 0 0 0 0 6.9417 -2.3042 0.0000 C 0 0 0 0 0 0 0 0 0 7.5417 -2.9125 0.0000 O 0 0 0 0 0 0 0 0 0 6.9417 -3.5042 0.0000 O 0 0 0 0 0 0 0 0 0 5.0167 -2.9917 0.0000 O 0 0 0 0 0 0 0 0 0 6.9167 -4.0917 0.0000 O 0 0 0 0 0 0 0 0 0 6.1792 -4.5167 0.0000 N 0 0 0 0 0 0 0 0 0 5.4542 -3.5750 0.0000 C 0 0 0 0 0 0 0 0 0 6.4292 -2.0042 0.0000 C 0 0 0 0 0 0 0 0 0 7.4667 -2.0042 0.0000 C 0 0 0 0 0 0 0 0 0 4.4167 -0.9167 0.0000 O 0 0 0 0 0 0 0 0 0 6.9417 -1.1042 0.0000 C 0 0 0 0 0 0 0 0 0 7.4667 -1.4042 0.0000 C 0 0 0 0 0 0 0 0 0 6.4292 -1.4042 0.0000 C 0 0 0 0 0 0 0 0 0 4.5667 -4.2417 0.0000 S 0 0 0 0 0 0 0 0 0 6.1792 -5.1167 0.0000 O 0 0 0 0 0 0 0 0 0 5.3125 -1.4375 0.0000 C 0 0 0 0 0 0 0 0 0 4.4167 -1.9542 0.0000 C 0 0 0 0 0 0 0 0 0 6.9417 -0.5042 0.0000 O 0 0 0 0 0 0 0 0 0 3.8292 -4.9792 0.0000 C 0 0 0 0 0 0 0 0 0 5.1542 -4.0917 0.0000 C 0 0 0 0 0 0 0 0 0 4.1167 -1.4375 0.0000 C 0 0 0 0 0 0 0 0 0 5.0167 -0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 4.4167 -4.8250 0.0000 C 0 0 0 0 0 0 0 0 0 7.4542 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 3.4042 -4.5417 0.0000 C 0 0 0 0 0 0 0 0 0 3.6667 -5.5542 0.0000 C 0 0 0 0 0 0 0 0 0 3.0917 -5.7125 0.0000 C 0 0 0 0 0 0 0 0 0 2.8167 -4.7000 0.0000 C 0 0 0 0 0 0 0 0 0 2.6667 -5.2792 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 2 1 0 0 0 5 3 1 0 0 0 6 4 1 0 0 0 7 5 1 0 0 0 8 1 1 0 0 0 9 1 2 0 0 0 10 1 2 0 0 0 11 5 2 0 0 0 12 6 2 0 0 0 13 6 1 0 0 0 14 4 1 0 0 0 15 8 1 0 0 0 16 8 2 0 0 0 17 28 1 0 0 0 18 19 2 0 0 0 19 16 1 0 0 0 20 15 2 0 0 0 21 27 1 0 0 0 22 13 1 0 0 0 23 7 1 0 0 0 24 7 1 0 0 0 25 18 1 0 0 0 26 30 1 0 0 0 27 14 1 0 0 0 28 24 1 0 0 0 29 23 1 0 0 0 30 21 1 0 0 0 31 25 1 0 0 0 32 26 2 0 0 0 33 26 1 0 0 0 34 33 2 0 0 0 35 32 1 0 0 0 36 34 1 0 0 0 20 18 1 0 0 0 29 17 1 0 0 0 35 36 2 0 0 0 M END > 7.63827216398241 > 6.27408836770495 $$$$ 11280715212D 1 1.00000 0.00000 0 26 28 0 0 0 999 V2000 0.6542 2.1458 0.0000 S 0 0 3 0 0 0 0 0 0 -0.7750 2.1500 0.0000 C 0 0 3 0 0 0 0 0 0 -0.0625 2.5625 0.0000 N 0 0 0 0 0 0 0 0 0 -1.4958 2.5625 0.0000 C 0 0 0 0 0 0 0 0 0 1.3792 1.7125 0.0000 C 0 0 0 0 0 0 0 0 0 1.0792 2.8583 0.0000 O 0 0 0 0 0 0 0 0 0 0.2292 1.4208 0.0000 O 0 0 0 0 0 0 0 0 0 -1.4958 3.3958 0.0000 O 0 0 0 0 0 0 0 0 0 -2.2083 2.1500 0.0000 N 0 0 0 0 0 0 0 0 0 3.5292 0.4625 0.0000 O 0 0 0 0 0 0 0 0 0 1.3792 0.8833 0.0000 C 0 0 0 0 0 0 0 0 0 2.0917 2.1250 0.0000 C 0 0 0 0 0 0 0 0 0 2.8042 0.8833 0.0000 C 0 0 0 0 0 0 0 0 0 3.5250 -0.3667 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1875 1.5583 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3625 1.5583 0.0000 C 0 0 0 0 0 0 0 0 0 3.5167 -2.0167 0.0000 C 0 0 0 0 0 0 0 0 0 2.8042 1.7125 0.0000 C 0 0 0 0 0 0 0 0 0 2.0917 0.4708 0.0000 C 0 0 0 0 0 0 0 0 0 3.5167 -2.8417 0.0000 F 0 0 0 0 0 0 0 0 0 -2.2083 1.3208 0.0000 O 0 0 0 0 0 0 0 0 0 4.2417 -0.7792 0.0000 C 0 0 0 0 0 0 0 0 0 2.8042 -0.7750 0.0000 C 0 0 0 0 0 0 0 0 0 2.8042 -1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 4.2417 -1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7750 0.9750 0.0000 C 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 3 1 1 0 0 0 4 2 1 0 0 0 5 1 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 4 2 0 0 0 9 4 1 0 0 0 10 13 1 0 0 0 11 5 2 0 0 0 12 5 1 0 0 0 13 18 1 0 0 0 14 10 1 0 0 0 15 2 1 0 0 0 16 2 1 0 0 0 17 24 2 0 0 0 18 12 2 0 0 0 19 11 1 0 0 0 20 17 1 0 0 0 21 9 1 0 0 0 22 14 1 0 0 0 23 14 2 0 0 0 24 23 1 0 0 0 25 22 2 0 0 0 26 16 1 0 0 0 13 19 2 0 0 0 15 26 1 0 0 0 17 25 1 0 0 0 M END > 9.27572413039921 > 6.55284196865778 $$$$ SciTegic11161115462D 32 35 0 0 0 0 999 V2000 5.5030 -20.3503 0.0000 C 0 0 4.7868 -20.7617 0.0000 C 0 0 4.7850 -21.5831 0.0000 C 0 0 5.4977 -21.9993 0.0000 N 0 0 6.2139 -21.5879 0.0000 C 0 0 6.2174 -20.7603 0.0000 C 0 0 6.2173 -19.9376 0.0000 S 0 0 6.6297 -19.2231 0.0000 O 0 0 5.8047 -19.2233 0.0000 O 0 0 6.9319 -20.3500 0.0000 C 0 0 6.9307 -21.1773 0.0000 C 0 0 7.6456 -21.5902 0.0000 C 0 0 8.3620 -21.1769 0.0000 C 0 0 8.3591 -20.3463 0.0000 C 0 0 7.6438 -19.9372 0.0000 C 0 0 9.0771 -21.5882 0.0000 O 0 0 4.7884 -19.9380 0.0000 C 0 0 4.7882 -19.1130 0.0000 O 0 0 4.0740 -20.3506 0.0000 N 0 0 3.3594 -19.9383 0.0000 O 0 0 9.7909 -21.1746 0.0000 C 0 0 10.5027 -21.5864 0.0000 C 0 0 11.2160 -21.1735 0.0000 C 0 0 11.2152 -20.3476 0.0000 C 0 0 10.4950 -19.9364 0.0000 C 0 0 9.7847 -20.3517 0.0000 C 0 0 5.4948 -22.8243 0.0000 C 0 0 11.9285 -19.9330 0.0000 O 0 0 5.0848 -23.5363 0.0000 C 0 0 5.9098 -23.5392 0.0000 C 0 0 12.6441 -20.3435 0.0000 C 0 0 13.3574 -19.9290 0.0000 C 0 0 13 16 1 0 10 7 1 0 7 1 1 0 1 2 1 0 1 17 1 0 1 6 1 0 17 18 2 0 2 3 1 0 17 19 1 0 3 4 1 0 19 20 1 0 10 11 2 0 16 21 1 0 4 5 1 0 21 22 2 0 11 12 1 0 22 23 1 0 5 6 1 0 23 24 2 0 12 13 2 0 24 25 1 0 8 7 2 0 25 26 2 0 26 21 1 0 13 14 1 0 4 27 1 0 7 9 2 0 24 28 1 0 14 15 2 0 28 31 1 0 29 27 1 0 30 29 1 0 27 30 1 0 15 10 1 0 31 32 1 0 M END > 9.60205999132796 > 6 $$$$ SciTegic11161115462D 30 32 0 0 0 0 999 V2000 15.6738 -2.9170 0.0000 C 0 0 14.9576 -3.3284 0.0000 C 0 0 14.9558 -4.1498 0.0000 C 0 0 15.6686 -4.5660 0.0000 O 0 0 16.3848 -4.1546 0.0000 C 0 0 16.3882 -3.3269 0.0000 C 0 0 16.3882 -2.5043 0.0000 S 0 0 16.8005 -1.7897 0.0000 O 0 0 15.9755 -1.7899 0.0000 O 0 0 17.1027 -2.9166 0.0000 C 0 0 17.1016 -3.7440 0.0000 C 0 0 17.8164 -4.1569 0.0000 C 0 0 18.5328 -3.7435 0.0000 C 0 0 18.5300 -2.9130 0.0000 C 0 0 17.8146 -2.5039 0.0000 C 0 0 19.2480 -4.1549 0.0000 O 0 0 14.9592 -2.5046 0.0000 C 0 0 14.9590 -1.6796 0.0000 O 0 0 14.2449 -2.9173 0.0000 N 0 0 13.5303 -2.5050 0.0000 O 0 0 19.9618 -3.7413 0.0000 C 0 0 20.6735 -4.1531 0.0000 C 0 0 21.3869 -3.7402 0.0000 C 0 0 21.3860 -2.9143 0.0000 C 0 0 20.6659 -2.5031 0.0000 C 0 0 19.9555 -2.9184 0.0000 C 0 0 22.0993 -2.4997 0.0000 O 0 0 22.8150 -2.9101 0.0000 C 0 0 23.5282 -2.4956 0.0000 C 0 0 22.8173 -3.7351 0.0000 C 0 0 13 16 1 0 10 7 1 0 7 1 1 0 1 2 1 0 1 17 1 0 1 6 1 0 17 18 2 0 2 3 1 0 17 19 1 0 3 4 1 0 19 20 1 0 10 11 2 0 16 21 1 0 4 5 1 0 21 22 2 0 11 12 1 0 22 23 1 0 5 6 1 0 23 24 2 0 12 13 2 0 24 25 1 0 8 7 2 0 25 26 2 0 26 21 1 0 13 14 1 0 24 27 1 0 7 9 2 0 27 28 1 0 14 15 2 0 28 29 1 0 15 10 1 0 28 30 1 0 M END > 10 > 6.52287874528034 $$$$ 11280715202D 1 1.00000 0.00000 0 33 35 0 1 0 999 V2000 1.7542 -1.2625 0.0000 S 0 0 3 0 0 0 0 0 0 1.7542 -0.4375 0.0000 N 0 0 3 0 0 0 0 0 0 2.4667 -0.0167 0.0000 C 0 0 2 0 0 0 0 0 0 1.7417 1.2208 0.0000 N 0 0 3 0 0 0 0 0 0 2.4625 0.8083 0.0000 C 0 0 1 0 0 0 0 0 0 3.1792 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 1.0292 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 1.7375 2.0458 0.0000 C 0 0 0 0 0 0 0 0 0 1.0250 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 1.7625 -2.0875 0.0000 C 0 0 0 0 0 0 0 0 0 2.4750 -0.8500 0.0000 O 0 0 0 0 0 0 0 0 0 1.0417 -0.8542 0.0000 O 0 0 0 0 0 0 0 0 0 3.1917 -1.2417 0.0000 O 0 0 0 0 0 0 0 0 0 4.6167 -3.7417 0.0000 C 0 0 0 0 0 0 0 0 0 2.4417 2.4625 0.0000 O 0 0 0 0 0 0 0 0 0 4.6167 -4.5667 0.0000 C 0 0 0 0 0 0 0 0 0 3.8917 -3.3292 0.0000 C 0 0 0 0 0 0 0 0 0 3.9000 -0.0042 0.0000 N 0 0 0 0 0 0 0 0 0 3.1917 -4.5625 0.0000 C 0 0 0 0 0 0 0 0 0 2.4792 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 1.0500 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 1.7625 -4.5625 0.0000 O 0 0 0 0 0 0 0 0 0 3.9000 -4.9792 0.0000 C 0 0 0 0 0 0 0 0 0 3.1875 -3.7417 0.0000 C 0 0 0 0 0 0 0 0 0 1.7625 -3.7417 0.0000 C 0 0 0 0 0 0 0 0 0 2.4750 -4.9750 0.0000 C 0 0 0 0 0 0 0 0 0 3.8917 -2.5042 0.0000 F 0 0 0 0 0 0 0 0 0 5.3292 -4.9792 0.0000 F 0 0 0 0 0 0 0 0 0 3.1750 1.2250 0.0000 C 0 0 0 0 0 0 0 0 0 2.4792 -3.3292 0.0000 C 0 0 0 0 0 0 0 0 0 1.0500 -3.3292 0.0000 C 0 0 0 0 0 0 0 0 0 4.6167 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 1.0167 2.4583 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 9 1 0 0 0 5 3 1 0 0 0 3 6 1 6 0 0 7 2 1 0 0 0 8 4 1 0 0 0 9 7 1 0 0 0 10 1 1 0 0 0 11 1 2 0 0 0 12 1 2 0 0 0 13 6 2 0 0 0 14 17 1 0 0 0 15 8 2 0 0 0 16 23 1 0 0 0 17 24 2 0 0 0 18 6 1 0 0 0 19 26 1 0 0 0 20 10 2 0 0 0 21 10 1 0 0 0 22 25 1 0 0 0 23 19 2 0 0 0 24 19 1 0 0 0 25 31 1 0 0 0 26 22 1 0 0 0 27 17 1 0 0 0 28 16 1 0 0 0 5 29 1 1 0 0 30 20 1 0 0 0 31 21 2 0 0 0 32 18 1 0 0 0 33 8 1 0 0 0 25 30 2 0 0 0 5 4 1 0 0 0 16 14 2 0 0 0 M END > 7.69897000433602 > 5.42021640338319 $$$$ 11280715022D 1 1.00000 0.00000 0 34 37 0 1 0 999 V2000 4.3917 -1.3542 0.0000 S 0 0 3 0 0 0 0 0 0 3.6750 -0.9417 0.0000 N 0 0 0 0 0 0 0 0 0 2.9542 -1.3542 0.0000 C 0 0 1 0 0 0 0 0 0 2.2917 -5.1417 0.0000 C 0 0 0 0 0 0 0 0 0 2.9542 -4.6542 0.0000 N 0 0 3 0 0 0 0 0 0 2.2417 -0.9417 0.0000 C 0 0 0 0 0 0 0 0 0 5.1042 -0.9417 0.0000 C 0 0 0 0 0 0 0 0 0 2.5417 -5.9167 0.0000 N 0 0 0 0 0 0 0 0 0 3.8042 -1.9417 0.0000 O 0 0 0 0 0 0 0 0 0 4.9750 -1.9417 0.0000 O 0 0 0 0 0 0 0 0 0 2.9542 -3.8292 0.0000 C 0 0 3 0 0 0 0 0 0 2.9625 -2.1792 0.0000 C 0 0 3 0 0 0 0 0 0 1.5042 -4.8792 0.0000 O 0 0 0 0 0 0 0 0 0 6.5375 -0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 7.2500 0.2958 0.0000 C 0 0 0 0 0 0 0 0 0 2.2417 -0.1167 0.0000 O 0 0 0 0 0 0 0 0 0 5.8167 -1.3542 0.0000 C 0 0 0 0 0 0 0 0 0 5.1042 -0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 6.5375 -0.9417 0.0000 C 0 0 0 0 0 0 0 0 0 5.8167 0.2958 0.0000 C 0 0 0 0 0 0 0 0 0 3.6667 -3.4167 0.0000 C 0 0 0 0 0 0 0 0 0 2.2417 -3.4167 0.0000 C 0 0 0 0 0 0 0 0 0 3.6750 -2.5917 0.0000 C 0 0 0 0 0 0 0 0 0 2.2417 -2.5917 0.0000 C 0 0 0 0 0 0 0 0 0 7.2417 1.1208 0.0000 C 0 0 0 0 0 0 0 0 0 7.9625 -0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 1.5292 -1.3542 0.0000 O 0 0 0 0 0 0 0 0 0 3.6250 -5.1417 0.0000 C 0 0 0 0 0 0 0 0 0 3.3667 -5.9292 0.0000 C 0 0 0 0 0 0 0 0 0 8.6667 1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 7.9500 1.5333 0.0000 C 0 0 0 0 0 0 0 0 0 8.6750 0.2958 0.0000 C 0 0 0 0 0 0 0 0 0 9.3792 1.5458 0.0000 O 0 0 0 0 0 0 0 0 0 10.1000 1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 6 0 0 4 5 1 0 0 0 5 11 1 0 0 0 6 3 1 0 0 0 7 1 1 0 0 0 8 4 1 0 0 0 9 1 2 0 0 0 10 1 2 0 0 0 11 22 1 0 0 0 12 3 1 0 0 0 13 4 2 0 0 0 14 20 2 0 0 0 15 14 1 0 0 0 16 6 2 0 0 0 17 7 1 0 0 0 18 7 2 0 0 0 19 17 2 0 0 0 20 18 1 0 0 0 21 23 1 0 0 0 22 24 1 0 0 0 23 12 1 0 0 0 24 12 1 0 0 0 25 15 1 0 0 0 26 15 2 0 0 0 27 6 1 0 0 0 28 5 1 0 0 0 29 28 1 0 0 0 30 32 2 0 0 0 31 25 2 0 0 0 32 26 1 0 0 0 33 30 1 0 0 0 34 33 1 0 0 0 19 14 1 0 0 0 21 11 1 0 0 0 30 31 1 0 0 0 8 29 1 0 0 0 M END > 9 > 5.32011805788714 $$$$ 11280715082D 1 1.00000 0.00000 0 36 39 0 0 0 999 V2000 9.4167 -10.1125 0.0000 C 0 0 3 0 0 0 0 0 0 8.7042 -10.5292 0.0000 S 0 0 3 0 0 0 0 0 0 10.1417 -10.5125 0.0000 C 0 0 0 0 0 0 0 0 0 8.7125 -9.7042 0.0000 C 0 0 0 0 0 0 0 0 0 10.1292 -9.7042 0.0000 C 0 0 0 0 0 0 0 0 0 7.9917 -10.1167 0.0000 C 0 0 0 0 0 0 0 0 0 9.4167 -8.4625 0.0000 N 0 0 3 0 0 0 0 0 0 9.2917 -11.1125 0.0000 O 0 0 0 0 0 0 0 0 0 8.1167 -11.1125 0.0000 O 0 0 0 0 0 0 0 0 0 10.1542 -11.3375 0.0000 O 0 0 0 0 0 0 0 0 0 10.8500 -10.0917 0.0000 N 0 0 0 0 0 0 0 0 0 8.7125 -8.8792 0.0000 C 0 0 0 0 0 0 0 0 0 10.1292 -8.8792 0.0000 C 0 0 0 0 0 0 0 0 0 7.2750 -10.5292 0.0000 C 0 0 0 0 0 0 0 0 0 7.9917 -9.2875 0.0000 C 0 0 0 0 0 0 0 0 0 9.4167 -7.6375 0.0000 C 0 0 0 0 0 0 0 0 0 5.8417 -8.8750 0.0000 O 0 0 0 0 0 0 0 0 0 6.5625 -9.2875 0.0000 C 0 0 0 0 0 0 0 0 0 10.1375 -7.2250 0.0000 C 0 0 0 0 0 0 0 0 0 5.1417 -11.7417 0.0000 C 0 0 0 0 0 0 0 0 0 5.1375 -10.1042 0.0000 C 0 0 0 0 0 0 0 0 0 5.1292 -9.2875 0.0000 C 0 0 0 0 0 0 0 0 0 7.2750 -8.8750 0.0000 C 0 0 0 0 0 0 0 0 0 6.5625 -10.1167 0.0000 C 0 0 0 0 0 0 0 0 0 11.5667 -6.4000 0.0000 C 0 0 0 0 0 0 0 0 0 5.1417 -12.5667 0.0000 Cl 0 0 0 0 0 0 0 0 0 11.5667 -10.4917 0.0000 O 0 0 0 0 0 0 0 0 0 5.8542 -11.3250 0.0000 C 0 0 0 0 0 0 0 0 0 4.4292 -11.3292 0.0000 C 0 0 0 0 0 0 0 0 0 10.1292 -6.4042 0.0000 C 0 0 0 0 0 0 0 0 0 10.8500 -7.6417 0.0000 C 0 0 0 0 0 0 0 0 0 5.8417 -10.5042 0.0000 C 0 0 0 0 0 0 0 0 0 4.4292 -10.5125 0.0000 C 0 0 0 0 0 0 0 0 0 11.5625 -7.2292 0.0000 C 0 0 0 0 0 0 0 0 0 10.8417 -5.9917 0.0000 C 0 0 0 0 0 0 0 0 0 12.2792 -5.9875 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 1 1 0 0 0 5 1 1 0 0 0 6 2 1 0 0 0 7 13 1 0 0 0 8 2 2 0 0 0 9 2 2 0 0 0 10 3 2 0 0 0 11 3 1 0 0 0 12 4 1 0 0 0 13 5 1 0 0 0 14 6 2 0 0 0 15 6 1 0 0 0 16 7 1 0 0 0 17 18 1 0 0 0 18 23 1 0 0 0 19 16 1 0 0 0 20 29 2 0 0 0 21 22 1 0 0 0 22 17 1 0 0 0 23 15 2 0 0 0 24 14 1 0 0 0 25 34 2 0 0 0 26 20 1 0 0 0 27 11 1 0 0 0 28 32 2 0 0 0 29 33 1 0 0 0 30 19 1 0 0 0 31 19 2 0 0 0 32 21 1 0 0 0 33 21 2 0 0 0 34 31 1 0 0 0 35 30 2 0 0 0 36 25 1 0 0 0 12 7 1 0 0 0 18 24 2 0 0 0 35 25 1 0 0 0 28 20 1 0 0 0 M END > 8.22184874961636 > 5.32330639037513 $$$$ 11280715082D 1 1.00000 0.00000 0 33 34 0 0 0 999 V2000 4.3667 -1.6500 0.0000 S 0 0 3 0 0 0 0 0 0 5.1917 -1.6167 0.0000 C 0 0 3 0 0 0 0 0 0 5.5792 -0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 3.5417 -1.6792 0.0000 C 0 0 0 0 0 0 0 0 0 5.1875 -2.4417 0.0000 C 0 0 0 0 0 0 0 0 0 4.4042 -2.4792 0.0000 O 0 0 0 0 0 0 0 0 0 4.3375 -0.8292 0.0000 O 0 0 0 0 0 0 0 0 0 5.1375 -0.1917 0.0000 O 0 0 0 0 0 0 0 0 0 6.4042 -0.8542 0.0000 N 0 0 0 0 0 0 0 0 0 3.1625 -2.4125 0.0000 C 0 0 0 0 0 0 0 0 0 3.1042 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 6.0125 -1.6167 0.0000 C 0 0 0 0 0 0 0 0 0 5.7667 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 7.6750 -6.9542 0.0000 N 0 0 3 0 0 0 0 0 0 1.8917 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 6.9292 -4.1917 0.0000 C 0 0 0 0 0 0 0 0 0 2.3375 -2.4417 0.0000 C 0 0 0 0 0 0 0 0 0 2.2750 -1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 6.7917 -0.1250 0.0000 O 0 0 0 0 0 0 0 0 0 6.5625 -2.8125 0.0000 C 0 0 0 0 0 0 0 0 0 5.5542 -3.8250 0.0000 C 0 0 0 0 0 0 0 0 0 6.1292 -4.4042 0.0000 C 0 0 0 0 0 0 0 0 0 7.1417 -3.3917 0.0000 C 0 0 0 0 0 0 0 0 0 7.5167 -4.7750 0.0000 O 0 0 0 0 0 0 0 0 0 7.3042 -5.5750 0.0000 C 0 0 0 0 0 0 0 0 0 1.0667 -1.7792 0.0000 O 0 0 0 0 0 0 0 0 0 7.8875 -6.1542 0.0000 C 0 0 0 0 0 0 0 0 0 6.8792 -7.1625 0.0000 C 0 0 0 0 0 0 0 0 0 8.2625 -7.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0.6292 -1.0875 0.0000 C 0 0 0 0 0 0 0 0 0 8.0417 -8.3292 0.0000 C 0 0 0 0 0 0 0 0 0 6.6667 -7.9542 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1958 -1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 1 1 0 0 0 5 2 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 3 2 0 0 0 9 3 1 0 0 0 10 4 1 0 0 0 11 4 2 0 0 0 12 2 1 0 0 0 13 5 1 0 0 0 14 27 1 0 0 0 15 18 2 0 0 0 16 22 2 0 0 0 17 10 2 0 0 0 18 11 1 0 0 0 19 9 1 0 0 0 20 13 1 0 0 0 21 13 2 0 0 0 22 21 1 0 0 0 23 20 2 0 0 0 24 16 1 0 0 0 25 24 1 0 0 0 26 15 1 0 0 0 27 25 1 0 0 0 28 14 1 0 0 0 29 14 1 0 0 0 30 26 1 0 0 0 31 29 1 0 0 0 32 28 1 0 0 0 33 30 1 0 0 0 17 15 1 0 0 0 23 16 1 0 0 0 M END > 7.79588001734407 > 6.20273245916928 $$$$ 11280715162D 1 1.00000 0.00000 0 32 33 0 0 0 999 V2000 6.0042 -19.1667 0.0000 S 0 0 3 0 0 0 0 0 0 5.2875 -18.7542 0.0000 N 0 0 3 0 0 0 0 0 0 4.5667 -19.1750 0.0000 C 0 0 0 0 0 0 0 0 0 3.8542 -18.7625 0.0000 C 0 0 0 0 0 0 0 0 0 3.8542 -17.9375 0.0000 C 0 0 0 0 0 0 0 0 0 6.7250 -19.5875 0.0000 C 0 0 0 0 0 0 0 0 0 5.5875 -19.8917 0.0000 O 0 0 0 0 0 0 0 0 0 6.4167 -18.4500 0.0000 O 0 0 0 0 0 0 0 0 0 6.0000 -17.5167 0.0000 C 0 0 0 0 0 0 0 0 0 6.7167 -17.1000 0.0000 C 0 0 0 0 0 0 0 0 0 4.5667 -20.0000 0.0000 C 0 0 0 0 0 0 0 0 0 4.5667 -17.5250 0.0000 O 0 0 0 0 0 0 0 0 0 5.2875 -17.9292 0.0000 C 0 0 0 0 0 0 0 0 0 3.1375 -17.5250 0.0000 N 0 0 0 0 0 0 0 0 0 7.4375 -19.1750 0.0000 C 0 0 0 0 0 0 0 0 0 6.7250 -20.4167 0.0000 C 0 0 0 0 0 0 0 0 0 3.1375 -19.1750 0.0000 C 0 0 0 0 0 0 0 0 0 7.4417 -15.8542 0.0000 N 0 0 3 0 0 0 0 0 0 8.1542 -20.4167 0.0000 C 0 0 0 0 0 0 0 0 0 8.1542 -19.5875 0.0000 C 0 0 0 0 0 0 0 0 0 7.4375 -20.8292 0.0000 C 0 0 0 0 0 0 0 0 0 7.4417 -16.6792 0.0000 C 0 0 0 0 0 0 0 0 0 3.1375 -16.6917 0.0000 O 0 0 0 0 0 0 0 0 0 8.8750 -20.8375 0.0000 O 0 0 0 0 0 0 0 0 0 3.1375 -20.0000 0.0000 C 0 0 0 0 0 0 0 0 0 3.8542 -20.4125 0.0000 C 0 0 0 0 0 0 0 0 0 5.2875 -20.4250 0.0000 C 0 0 0 0 0 0 0 0 0 6.7250 -15.4417 0.0000 C 0 0 0 0 0 0 0 0 0 8.1542 -15.4417 0.0000 C 0 0 0 0 0 0 0 0 0 9.5917 -20.4250 0.0000 C 0 0 0 0 0 0 0 0 0 6.0042 -15.8542 0.0000 C 0 0 0 0 0 0 0 0 0 8.1542 -14.6125 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 2 0 0 0 5 4 1 0 0 0 6 1 1 0 0 0 7 1 2 0 0 0 8 1 2 0 0 0 9 13 1 0 0 0 10 9 3 0 0 0 11 3 1 0 0 0 12 5 2 0 0 0 13 2 1 0 0 0 14 5 1 0 0 0 15 6 1 0 0 0 16 6 2 0 0 0 17 4 1 0 0 0 18 22 1 0 0 0 19 21 2 0 0 0 20 15 2 0 0 0 21 16 1 0 0 0 22 10 1 0 0 0 23 14 1 0 0 0 24 19 1 0 0 0 25 26 1 0 0 0 26 11 2 0 0 0 27 11 1 0 0 0 28 18 1 0 0 0 29 18 1 0 0 0 30 24 1 0 0 0 31 28 1 0 0 0 32 29 1 0 0 0 20 19 1 0 0 0 25 17 2 0 0 0 M END > 7.72124639904717 > 6.32790214206428 $$$$ 11280715232D 1 1.00000 0.00000 0 26 27 0 0 0 999 V2000 5.1000 -3.1667 0.0000 S 0 0 3 0 0 0 0 0 0 4.4042 -2.7542 0.0000 N 0 0 3 0 0 0 0 0 0 3.6917 -3.1667 0.0000 C 0 0 3 0 0 0 0 0 0 2.9917 -2.7542 0.0000 C 0 0 0 0 0 0 0 0 0 4.4042 -1.9417 0.0000 C 0 0 0 0 0 0 0 0 0 5.8167 -3.5542 0.0000 C 0 0 0 0 0 0 0 0 0 5.1000 -1.5375 0.0000 C 0 0 0 0 0 0 0 0 0 4.3625 -3.8792 0.0000 O 0 0 0 0 0 0 0 0 0 5.8042 -2.4375 0.0000 O 0 0 0 0 0 0 0 0 0 2.2792 -3.1667 0.0000 O 0 0 0 0 0 0 0 0 0 5.1000 -0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 2.9917 -1.9417 0.0000 N 0 0 0 0 0 0 0 0 0 5.8292 -4.3667 0.0000 C 0 0 0 0 0 0 0 0 0 6.5042 -3.1292 0.0000 C 0 0 0 0 0 0 0 0 0 4.3917 -0.3250 0.0000 Cl 0 0 0 0 0 0 0 0 0 7.2417 -4.3167 0.0000 C 0 0 0 0 0 0 0 0 0 6.5500 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 7.2167 -3.5125 0.0000 C 0 0 0 0 0 0 0 0 0 3.6917 -3.9792 0.0000 C 0 0 0 0 0 0 0 0 0 2.2792 -1.5375 0.0000 O 0 0 0 0 0 0 0 0 0 7.9542 -4.7250 0.0000 O 0 0 0 0 0 0 0 0 0 5.8042 -1.9417 0.0000 C 0 0 0 0 0 0 0 0 0 5.8042 -0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 7.9792 -5.5417 0.0000 C 0 0 0 0 0 0 0 0 0 6.5167 -1.5375 0.0000 C 0 0 0 0 0 0 0 0 0 6.5167 -0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 2 1 0 0 0 6 1 1 0 0 0 7 5 1 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 4 2 0 0 0 11 7 1 0 0 0 12 4 1 0 0 0 13 6 2 0 0 0 14 6 1 0 0 0 15 11 1 0 0 0 16 18 1 0 0 0 17 13 1 0 0 0 18 14 2 0 0 0 19 3 1 0 0 0 20 12 1 0 0 0 21 16 1 0 0 0 22 7 2 0 0 0 23 11 2 0 0 0 24 21 1 0 0 0 25 22 1 0 0 0 26 25 2 0 0 0 17 16 2 0 0 0 26 23 1 0 0 0 M END > 7.65757731917779 > 7.65757731917779 $$$$ 11280715122D 1 1.00000 0.00000 0 35 37 0 0 0 999 V2000 5.2292 -0.7667 0.0000 S 0 0 3 0 0 0 0 0 0 5.4125 -1.5792 0.0000 N 0 0 3 0 0 0 0 0 0 4.7667 -2.0875 0.0000 C 0 0 3 0 0 0 0 0 0 5.4125 -3.4292 0.0000 N 0 0 3 0 0 0 0 0 0 4.7667 -2.9167 0.0000 C 0 0 0 0 0 0 0 0 0 5.2292 -4.2292 0.0000 C 0 0 0 0 0 0 0 0 0 4.0250 -1.7250 0.0000 C 0 0 0 0 0 0 0 0 0 1.4750 -4.6500 0.0000 C 0 0 3 0 0 0 0 0 0 5.8375 -0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 4.4292 -0.5542 0.0000 O 0 0 0 0 0 0 0 0 0 6.0292 -0.9792 0.0000 O 0 0 0 0 0 0 0 0 0 4.4417 -4.4750 0.0000 C 0 0 0 0 0 0 0 0 0 2.0792 -5.2042 0.0000 O 0 0 0 0 0 0 0 0 0 5.8375 -4.7917 0.0000 O 0 0 0 0 0 0 0 0 0 3.9667 -0.9042 0.0000 O 0 0 0 0 0 0 0 0 0 3.3417 -2.1875 0.0000 N 0 0 0 0 0 0 0 0 0 6.2167 -1.7625 0.0000 C 0 0 0 0 0 0 0 0 0 6.6250 -0.4542 0.0000 C 0 0 0 0 0 0 0 0 0 5.6542 0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 4.2667 -5.2792 0.0000 C 0 0 0 0 0 0 0 0 0 3.8417 -3.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0.9167 -4.1417 0.0000 F 0 0 0 0 0 0 0 0 0 1.5250 -3.7875 0.0000 F 0 0 0 0 0 0 0 0 0 0.6167 -4.7667 0.0000 F 0 0 0 0 0 0 0 0 0 6.2167 -3.2417 0.0000 C 0 0 0 0 0 0 0 0 0 2.8667 -4.9625 0.0000 C 0 0 0 0 0 0 0 0 0 6.5667 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 7.0500 0.9083 0.0000 C 0 0 0 0 0 0 0 0 0 3.4792 -5.5250 0.0000 C 0 0 0 0 0 0 0 0 0 3.0542 -4.1542 0.0000 C 0 0 0 0 0 0 0 0 0 6.2542 1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 7.2292 0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 2.6000 -1.8292 0.0000 O 0 0 0 0 0 0 0 0 0 7.6542 1.4625 0.0000 O 0 0 0 0 0 0 0 0 0 8.4417 1.2208 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 5 1 0 0 0 5 3 1 0 0 0 6 4 1 0 0 0 7 3 1 0 0 0 8 13 1 0 0 0 9 1 1 0 0 0 10 1 2 0 0 0 11 1 2 0 0 0 12 6 1 0 0 0 13 26 1 0 0 0 14 6 2 0 0 0 15 7 2 0 0 0 16 7 1 0 0 0 17 2 1 0 0 0 18 9 2 0 0 0 19 9 1 0 0 0 20 12 1 0 0 0 21 12 2 0 0 0 22 8 1 0 0 0 23 8 1 0 0 0 24 8 1 0 0 0 25 27 1 0 0 0 26 30 2 0 0 0 27 17 1 0 0 0 28 31 1 0 0 0 29 20 2 0 0 0 30 21 1 0 0 0 31 19 2 0 0 0 32 18 1 0 0 0 33 16 1 0 0 0 34 28 1 0 0 0 35 34 1 0 0 0 28 32 2 0 0 0 4 25 1 0 0 0 26 29 1 0 0 0 M END > 8.20760831050175 > 6.89279003035213 $$$$ 11280715442D 1 1.00000 0.00000 0 30 32 0 1 0 999 V2000 -0.0583 -0.4375 0.0000 S 0 0 3 0 0 0 0 0 0 -0.0583 0.3875 0.0000 N 0 0 3 0 0 0 0 0 0 0.6542 0.7958 0.0000 C 0 0 1 0 0 0 0 0 0 1.3667 0.3833 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0625 -1.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0.6542 1.6208 0.0000 C 0 0 2 0 0 0 0 0 0 0.7667 -0.4375 0.0000 O 0 0 0 0 0 0 0 0 0 -0.8833 -0.4292 0.0000 O 0 0 0 0 0 0 0 0 0 1.3375 -3.7292 0.0000 C 0 0 0 0 0 0 0 0 0 1.7750 -0.3292 0.0000 O 0 0 0 0 0 0 0 0 0 2.0792 0.8000 0.0000 N 0 0 0 0 0 0 0 0 0 2.0417 -4.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0.6250 -4.1417 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7708 0.7958 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7833 -1.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0.6417 -1.6750 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0875 -3.7292 0.0000 O 0 0 0 0 0 0 0 0 0 -0.0833 -2.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0.6500 2.4458 0.0000 O 0 0 0 0 0 0 0 0 0 2.0417 -4.9667 0.0000 F 0 0 0 0 0 0 0 0 0 -0.7958 -2.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0.6375 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 2.7917 0.3875 0.0000 O 0 0 0 0 0 0 0 0 0 -0.0583 2.0375 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7708 1.6208 0.0000 C 0 0 0 0 0 0 0 0 0 1.4500 1.8375 0.0000 C 0 0 0 0 0 0 0 0 0 1.3292 -2.9042 0.0000 C 0 0 0 0 0 0 0 0 0 2.7625 -3.7292 0.0000 C 0 0 0 0 0 0 0 0 0 2.0417 -2.4917 0.0000 C 0 0 0 0 0 0 0 0 0 2.7625 -2.9042 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 3 4 1 6 0 0 5 1 1 0 0 0 6 3 1 0 0 0 7 1 2 0 0 0 8 1 2 0 0 0 9 13 1 0 0 0 10 4 2 0 0 0 11 4 1 0 0 0 12 9 2 0 0 0 13 17 1 0 0 0 14 2 1 0 0 0 15 5 2 0 0 0 16 5 1 0 0 0 17 18 1 0 0 0 18 22 1 0 0 0 6 19 1 1 0 0 20 12 1 0 0 0 21 15 1 0 0 0 22 16 2 0 0 0 23 11 1 0 0 0 24 25 1 0 0 0 25 14 1 0 0 0 6 26 1 6 0 0 27 9 1 0 0 0 28 12 1 0 0 0 29 27 2 0 0 0 30 29 1 0 0 0 18 21 2 0 0 0 24 6 1 0 0 0 30 28 2 0 0 0 M END > 9.30980391997149 > 6.74472749489669 $$$$ 11280715412D 1 1.00000 0.00000 0 17 17 0 1 0 999 V2000 3.9625 -3.0667 0.0000 S 0 0 3 0 0 0 0 0 0 3.9625 -2.2417 0.0000 C 0 0 0 0 0 0 0 0 0 3.9625 -3.8917 0.0000 C 0 0 0 0 0 0 0 0 0 3.1375 -3.0667 0.0000 O 0 0 0 0 0 0 0 0 0 4.7875 -3.0667 0.0000 O 0 0 0 0 0 0 0 0 0 3.2500 -1.8292 0.0000 C 0 0 0 0 0 0 0 0 0 4.6792 -1.8292 0.0000 C 0 0 0 0 0 0 0 0 0 3.2500 -4.3042 0.0000 C 0 0 2 0 0 0 0 0 0 3.9625 -0.5917 0.0000 C 0 0 0 0 0 0 0 0 0 3.2542 -5.7417 0.0000 S 0 0 0 0 0 0 0 0 0 4.6792 -1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 3.2500 -1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 3.9625 0.2333 0.0000 O 0 0 0 0 0 0 0 0 0 3.6667 -5.0292 0.0000 C 0 0 0 0 0 0 0 0 0 2.5292 -4.7250 0.0000 C 0 0 0 0 0 0 0 0 0 4.6750 0.6458 0.0000 C 0 0 0 0 0 0 0 0 0 2.8292 -3.5875 0.0000 H 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 1 2 0 0 0 5 1 2 0 0 0 6 2 1 0 0 0 7 2 2 0 0 0 8 3 1 0 0 0 9 11 2 0 0 0 10 14 1 0 0 0 11 7 1 0 0 0 12 6 2 0 0 0 13 9 1 0 0 0 14 8 1 0 0 0 8 15 1 6 0 0 16 13 1 0 0 0 8 17 1 1 0 0 9 12 1 0 0 0 M END > 6.60205999132796 > 5.30102999566398 $$$$ 11280715072D 1 1.00000 0.00000 0 40 42 0 1 0 999 V2000 5.3792 -2.5917 0.0000 N 0 0 0 0 0 0 0 0 0 4.6667 -3.0125 0.0000 C 0 0 0 0 0 0 0 0 0 2.5250 -2.6125 0.0000 P 0 0 3 0 0 0 0 0 0 3.9500 -2.6042 0.0000 C 0 0 3 0 0 0 0 0 0 6.0917 -3.0042 0.0000 C 0 0 2 0 0 0 0 0 0 6.8042 -2.5875 0.0000 C 0 0 0 0 0 0 0 0 0 3.2375 -3.0167 0.0000 C 0 0 0 0 0 0 0 0 0 6.1000 -3.8292 0.0000 C 0 0 3 0 0 0 0 0 0 2.5167 -1.7875 0.0000 O 0 0 0 0 0 0 0 0 0 4.6667 -3.8375 0.0000 O 0 0 0 0 0 0 0 0 0 3.9417 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 6.8042 -1.7625 0.0000 O 0 0 0 0 0 0 0 0 0 1.8125 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 7.5250 -3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 2.5167 -3.4375 0.0000 O 0 0 0 0 0 0 0 0 0 1.0917 -2.6167 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7625 -1.8042 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3333 -1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 -3.1958 -2.6375 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0500 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 4.6542 -1.3625 0.0000 C 0 0 0 0 0 0 0 0 0 -3.9083 -3.0417 0.0000 F 0 0 0 0 0 0 0 0 0 -2.4833 -3.0500 0.0000 C 0 0 0 0 0 0 0 0 0 -3.1958 -1.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0.3667 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4833 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3333 -2.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0.3792 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7625 -2.6375 0.0000 C 0 0 0 0 0 0 0 0 0 1.0875 -1.7875 0.0000 C 0 0 0 0 0 0 0 0 0 4.6542 -0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 6.9250 -3.8292 0.0000 C 0 0 0 0 0 0 0 0 0 6.1125 -4.6542 0.0000 C 0 0 0 0 0 0 0 0 0 5.2750 -3.8250 0.0000 C 0 0 0 0 0 0 0 0 0 8.2375 -2.5792 0.0000 C 0 0 0 0 0 0 0 0 0 3.9417 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 5.3667 -0.1250 0.0000 C 0 0 0 0 0 0 0 0 0 5.3625 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 3.9292 0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 4.6417 1.1083 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 7 1 0 0 0 4 2 1 0 0 0 5 1 1 0 0 0 6 5 1 0 0 0 7 4 1 0 0 0 5 8 1 6 0 0 9 3 2 0 0 0 10 2 2 0 0 0 4 11 1 0 0 0 12 6 2 0 0 0 13 3 1 0 0 0 14 6 1 0 0 0 15 3 1 0 0 0 16 13 1 0 0 0 17 20 1 0 0 0 18 25 1 0 0 0 19 23 1 0 0 0 20 18 1 0 0 0 21 11 1 0 0 0 22 19 1 0 0 0 23 29 2 0 0 0 24 26 1 0 0 0 25 30 2 0 0 0 26 17 2 0 0 0 27 28 1 0 0 0 28 16 2 0 0 0 29 17 1 0 0 0 30 16 1 0 0 0 31 21 1 0 0 0 32 8 1 0 0 0 33 8 1 0 0 0 34 8 1 0 0 0 35 14 1 0 0 0 36 31 1 0 0 0 37 31 2 0 0 0 38 37 1 0 0 0 39 36 2 0 0 0 40 38 2 0 0 0 40 39 1 0 0 0 27 18 2 0 0 0 19 24 2 0 0 0 M END > 7.35654732351381 > 6.01322826573375 $$$$ 11280715072D 1 1.00000 0.00000 0 40 42 0 1 0 999 V2000 5.3792 -2.5917 0.0000 N 0 0 0 0 0 0 0 0 0 4.6667 -3.0125 0.0000 C 0 0 0 0 0 0 0 0 0 2.5250 -2.6125 0.0000 P 0 0 3 0 0 0 0 0 0 3.9500 -2.6042 0.0000 C 0 0 3 0 0 0 0 0 0 6.0917 -3.0042 0.0000 C 0 0 2 0 0 0 0 0 0 6.8042 -2.5875 0.0000 C 0 0 0 0 0 0 0 0 0 3.2375 -3.0167 0.0000 C 0 0 0 0 0 0 0 0 0 6.1000 -3.8292 0.0000 C 0 0 3 0 0 0 0 0 0 -1.7625 -1.8042 0.0000 C 0 0 0 0 0 0 0 0 0 2.5167 -1.7875 0.0000 O 0 0 0 0 0 0 0 0 0 4.6667 -3.8375 0.0000 O 0 0 0 0 0 0 0 0 0 -1.0500 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 3.9417 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 6.8042 -1.7625 0.0000 O 0 0 0 0 0 0 0 0 0 1.8125 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4833 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 7.5250 -3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 2.5167 -3.4375 0.0000 O 0 0 0 0 0 0 0 0 0 -0.3333 -1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 1.0917 -2.6167 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4833 -0.5667 0.0000 Cl 0 0 0 0 0 0 0 0 0 4.6542 -1.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0.3667 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3333 -2.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0.3792 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 1.0875 -1.7875 0.0000 C 0 0 0 0 0 0 0 0 0 4.6542 -0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 6.9250 -3.8292 0.0000 C 0 0 0 0 0 0 0 0 0 6.1125 -4.6542 0.0000 C 0 0 0 0 0 0 0 0 0 5.2750 -3.8250 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7625 -2.6375 0.0000 C 0 0 0 0 0 0 0 0 0 -3.1958 -1.8125 0.0000 C 0 0 0 0 0 0 0 0 0 8.2375 -2.5792 0.0000 C 0 0 0 0 0 0 0 0 0 3.9417 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 5.3667 -0.1250 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4833 -3.0500 0.0000 C 0 0 0 0 0 0 0 0 0 -3.1958 -2.6375 0.0000 C 0 0 0 0 0 0 0 0 0 5.3625 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 3.9292 0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 4.6417 1.1083 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 7 1 0 0 0 4 2 1 0 0 0 5 1 1 0 0 0 6 5 1 0 0 0 7 4 1 0 0 0 5 8 1 6 0 0 9 12 1 0 0 0 10 3 2 0 0 0 11 2 2 0 0 0 12 19 1 0 0 0 4 13 1 0 0 0 14 6 2 0 0 0 15 3 1 0 0 0 16 9 2 0 0 0 17 6 1 0 0 0 18 3 1 0 0 0 19 23 1 0 0 0 20 15 1 0 0 0 21 16 1 0 0 0 22 13 1 0 0 0 23 26 2 0 0 0 24 25 1 0 0 0 25 20 2 0 0 0 26 20 1 0 0 0 27 22 1 0 0 0 28 8 1 0 0 0 29 8 1 0 0 0 30 8 1 0 0 0 31 9 1 0 0 0 32 16 1 0 0 0 33 17 1 0 0 0 34 27 1 0 0 0 35 27 2 0 0 0 36 31 2 0 0 0 37 36 1 0 0 0 38 35 1 0 0 0 39 34 2 0 0 0 40 38 2 0 0 0 40 39 1 0 0 0 24 19 2 0 0 0 37 32 2 0 0 0 M END > 7.76955107862173 > 6.36653154442041 $$$$ 11280714532D 1 1.00000 0.00000 0 37 40 0 0 0 999 V2000 2.2875 -0.1250 0.0000 S 0 0 3 0 0 0 0 0 0 1.5792 -0.5417 0.0000 N 0 0 3 0 0 0 0 0 0 1.5792 -1.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0.8667 -1.7875 0.0000 C 0 0 0 0 0 0 0 0 0 2.3000 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 4.4500 -3.0167 0.0000 C 0 0 3 0 0 0 0 0 0 2.3000 -2.6042 0.0000 C 0 0 0 0 0 0 0 0 0 1.5792 -3.0250 0.0000 N 0 0 0 0 0 0 0 0 0 0.1542 -1.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0.8667 -2.6125 0.0000 C 0 0 0 0 0 0 0 0 0 3.0042 0.2833 0.0000 C 0 0 0 0 0 0 0 0 0 3.7292 -2.6042 0.0000 C 0 0 0 0 0 0 0 0 0 1.8667 0.5958 0.0000 O 0 0 0 0 0 0 0 0 0 2.6917 -0.8375 0.0000 O 0 0 0 0 0 0 0 0 0 3.0167 -3.0167 0.0000 C 0 0 0 0 0 0 0 0 0 3.0042 -1.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0.8542 -0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 3.7250 -1.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0.1542 -0.5500 0.0000 O 0 0 0 0 0 0 0 0 0 -0.5583 -1.7875 0.0000 N 0 0 0 0 0 0 0 0 0 5.1042 -3.3875 0.0000 F 0 0 0 0 0 0 0 0 0 4.8542 -2.3000 0.0000 F 0 0 0 0 0 0 0 0 0 4.0292 -3.7292 0.0000 F 0 0 0 0 0 0 0 0 0 3.7125 -0.1417 0.0000 C 0 0 0 0 0 0 0 0 0 3.0125 1.1000 0.0000 C 0 0 0 0 0 0 0 0 0 4.4417 1.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0.8542 0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 3.7292 1.5083 0.0000 C 0 0 0 0 0 0 0 0 0 4.4292 0.2583 0.0000 C 0 0 0 0 0 0 0 0 0 -1.2708 -1.3750 0.0000 O 0 0 0 0 0 0 0 0 0 5.1625 1.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0.1375 1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 1.5667 1.1083 0.0000 C 0 0 0 0 0 0 0 0 0 5.8667 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 1.5542 1.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0.1292 1.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0.8375 2.3333 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 3 2 0 0 0 6 12 1 0 0 0 7 5 1 0 0 0 8 7 2 0 0 0 9 4 1 0 0 0 10 4 2 0 0 0 11 1 1 0 0 0 12 18 1 0 0 0 13 1 2 0 0 0 14 1 2 0 0 0 15 7 1 0 0 0 16 5 1 0 0 0 17 2 1 0 0 0 18 16 2 0 0 0 19 9 2 0 0 0 20 9 1 0 0 0 21 6 1 0 0 0 22 6 1 0 0 0 23 6 1 0 0 0 24 11 2 0 0 0 25 11 1 0 0 0 26 28 1 0 0 0 27 17 1 0 0 0 28 25 2 0 0 0 29 24 1 0 0 0 30 20 1 0 0 0 31 26 1 0 0 0 32 27 2 0 0 0 33 27 1 0 0 0 34 31 1 0 0 0 35 33 2 0 0 0 36 32 1 0 0 0 37 35 1 0 0 0 26 29 2 0 0 0 8 10 1 0 0 0 12 15 2 0 0 0 36 37 2 0 0 0 M END > 8.15490195998574 > 6.76447155309245 $$$$ 11280715082D 1 1.00000 0.00000 0 30 31 0 0 0 999 V2000 4.0167 -9.2792 0.0000 S 0 0 3 0 0 0 0 0 0 4.8375 -9.2500 0.0000 C 0 0 3 0 0 0 0 0 0 5.2250 -8.5167 0.0000 C 0 0 0 0 0 0 0 0 0 3.1917 -9.3125 0.0000 C 0 0 0 0 0 0 0 0 0 4.8292 -10.0750 0.0000 C 0 0 0 0 0 0 0 0 0 3.9792 -8.4542 0.0000 O 0 0 0 0 0 0 0 0 0 4.0500 -10.1042 0.0000 O 0 0 0 0 0 0 0 0 0 4.7792 -7.8167 0.0000 O 0 0 0 0 0 0 0 0 0 6.0542 -8.4792 0.0000 N 0 0 0 0 0 0 0 0 0 8.4625 -11.0042 0.0000 C 0 0 0 0 0 0 0 0 0 2.8042 -10.0417 0.0000 C 0 0 0 0 0 0 0 0 0 2.7500 -8.6125 0.0000 C 0 0 0 0 0 0 0 0 0 7.7917 -11.4917 0.0000 O 0 0 0 0 0 0 0 0 0 9.2125 -11.3375 0.0000 N 0 0 3 0 0 0 0 0 0 5.6625 -9.2500 0.0000 C 0 0 0 0 0 0 0 0 0 5.5417 -10.4875 0.0000 C 0 0 0 0 0 0 0 0 0 7.0417 -11.1625 0.0000 C 0 0 0 0 0 0 0 0 0 1.5417 -9.3792 0.0000 C 0 0 0 0 0 0 0 0 0 1.9167 -8.6500 0.0000 C 0 0 0 0 0 0 0 0 0 1.9792 -10.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0.7167 -9.3750 0.0000 Br 0 0 0 0 0 0 0 0 0 6.4375 -7.7542 0.0000 O 0 0 0 0 0 0 0 0 0 5.6250 -11.3042 0.0000 C 0 0 0 0 0 0 0 0 0 6.2042 -10.0042 0.0000 C 0 0 0 0 0 0 0 0 0 6.9542 -10.3417 0.0000 C 0 0 0 0 0 0 0 0 0 6.3750 -11.6417 0.0000 C 0 0 0 0 0 0 0 0 0 9.8042 -10.7667 0.0000 C 0 0 0 0 0 0 0 0 0 9.4042 -12.1417 0.0000 C 0 0 0 0 0 0 0 0 0 10.1917 -12.3667 0.0000 C 0 0 0 0 0 0 0 0 0 10.6000 -11.0000 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 1 1 0 0 0 5 2 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 3 2 0 0 0 9 3 1 0 0 0 10 13 1 0 0 0 11 4 1 0 0 0 12 4 2 0 0 0 13 17 1 0 0 0 14 10 1 0 0 0 15 2 1 0 0 0 16 5 1 0 0 0 17 25 1 0 0 0 18 19 2 0 0 0 19 12 1 0 0 0 20 11 2 0 0 0 21 18 1 0 0 0 22 9 1 0 0 0 23 16 2 0 0 0 24 16 1 0 0 0 25 24 2 0 0 0 26 23 1 0 0 0 27 14 1 0 0 0 28 14 1 0 0 0 29 28 1 0 0 0 30 27 1 0 0 0 20 18 1 0 0 0 26 17 2 0 0 0 M END > 7.95860731484177 > 7.29242982390206 $$$$ 11280715142D 1 1.00000 0.00000 0 27 28 0 1 0 999 V2000 2.2917 -4.2542 0.0000 S 0 0 3 0 0 0 0 0 0 2.6750 -2.0542 0.0000 C 0 0 2 0 0 0 0 0 0 3.3875 -1.6417 0.0000 C 0 0 2 0 0 0 0 0 0 4.1000 -2.0542 0.0000 C 0 0 0 0 0 0 0 0 0 2.0875 -3.4667 0.0000 N 0 0 3 0 0 0 0 0 0 2.6750 -2.8792 0.0000 C 0 0 0 0 0 0 0 0 0 4.8167 -1.6417 0.0000 N 0 0 3 0 0 0 0 0 0 1.9542 -1.6417 0.0000 C 0 0 0 0 0 0 0 0 0 1.4917 -4.4750 0.0000 O 0 0 0 0 0 0 0 0 0 3.0917 -4.0417 0.0000 O 0 0 0 0 0 0 0 0 0 3.3875 -0.8167 0.0000 C 0 0 0 0 0 0 0 0 0 4.1000 -2.8792 0.0000 O 0 0 0 0 0 0 0 0 0 1.9542 -0.8167 0.0000 O 0 0 0 0 0 0 0 0 0 1.2417 -2.0542 0.0000 N 0 0 0 0 0 0 0 0 0 6.2417 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 2.5042 -5.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0.5292 -1.6417 0.0000 O 0 0 0 0 0 0 0 0 0 4.8042 -0.8167 0.0000 C 0 0 0 0 0 0 0 0 0 5.5250 -2.0542 0.0000 C 0 0 0 0 0 0 0 0 0 3.9667 -0.2292 0.0000 C 0 0 3 0 0 0 0 0 0 1.2625 -3.4625 0.0000 C 0 0 0 0 0 0 0 0 0 6.2375 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 5.5292 -0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 4.7875 -0.3542 0.0000 C 0 0 0 0 0 0 0 0 0 3.8292 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 4.5667 0.9625 0.0000 C 0 0 0 0 0 0 0 0 0 5.1542 0.3833 0.0000 C 0 0 0 0 0 0 0 0 0 2 6 1 6 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 1 1 0 0 0 6 5 1 0 0 0 7 4 1 0 0 0 8 2 1 0 0 0 9 1 2 0 0 0 10 1 2 0 0 0 3 11 1 1 0 0 12 4 2 0 0 0 13 8 2 0 0 0 14 8 1 0 0 0 15 22 1 0 0 0 16 1 1 0 0 0 17 14 1 0 0 0 18 7 1 0 0 0 19 7 1 0 0 0 20 11 1 0 0 0 21 5 1 0 0 0 22 19 1 0 0 0 23 18 1 0 0 0 24 20 1 0 0 0 25 20 1 0 0 0 26 25 1 0 0 0 27 24 1 0 0 0 27 26 1 0 0 0 23 15 1 0 0 0 M END > 7.09691001300806 > 8.30102999566398 $$$$ SciTegic11161115462D 35 38 0 0 0 0 999 V2000 -3.4845 -18.8545 0.0000 C 0 0 -4.2007 -19.2659 0.0000 C 0 0 -4.2025 -20.0873 0.0000 C 0 0 -3.4898 -20.5035 0.0000 N 0 0 -2.7736 -20.0921 0.0000 C 0 0 -2.7701 -19.2644 0.0000 C 0 0 -2.7702 -18.4418 0.0000 S 0 0 -2.3578 -17.7272 0.0000 O 0 0 -3.1828 -17.7274 0.0000 O 0 0 -2.0556 -18.8541 0.0000 C 0 0 -2.0568 -19.6815 0.0000 C 0 0 -1.3419 -20.0944 0.0000 C 0 0 -0.6255 -19.6810 0.0000 C 0 0 -0.6284 -18.8505 0.0000 C 0 0 -1.3437 -18.4414 0.0000 C 0 0 0.0896 -20.0924 0.0000 O 0 0 -4.1991 -18.4421 0.0000 C 0 0 -4.1993 -17.6171 0.0000 O 0 0 -4.9135 -18.8548 0.0000 N 0 0 -5.6281 -18.4425 0.0000 O 0 0 0.8034 -19.6788 0.0000 C 0 0 1.5152 -20.0906 0.0000 C 0 0 2.2285 -19.6777 0.0000 C 0 0 2.2277 -18.8518 0.0000 C 0 0 1.5075 -18.4406 0.0000 C 0 0 0.7972 -18.8559 0.0000 C 0 0 -3.4927 -21.3285 0.0000 C 0 0 -2.7799 -21.7394 0.0000 C 0 0 2.9410 -18.4372 0.0000 O 0 0 3.6566 -18.8476 0.0000 C 0 0 -2.7814 -22.5613 0.0000 C 0 0 -2.0695 -22.9722 0.0000 C 0 0 -1.3562 -22.5603 0.0000 C 0 0 -1.3594 -21.7333 0.0000 C 0 0 -2.0719 -21.3262 0.0000 N 0 0 1 17 1 0 1 6 1 0 17 18 2 0 2 3 1 0 17 19 1 0 3 4 1 0 19 20 1 0 10 11 2 0 16 21 1 0 4 5 1 0 21 22 2 0 11 12 1 0 22 23 1 0 5 6 1 0 23 24 2 0 12 13 2 0 24 25 1 0 8 7 2 0 25 26 2 0 26 21 1 0 13 14 1 0 4 27 1 0 7 9 2 0 27 28 1 0 14 15 2 0 24 29 1 0 15 10 1 0 29 30 1 0 28 31 2 0 13 16 1 0 31 32 1 0 10 7 1 0 32 33 2 0 7 1 1 0 33 34 1 0 1 2 1 0 34 35 2 0 35 28 1 0 M END > 9.52287874528034 > 5.34678748622466 $$$$ 11280714452D 1 1.00000 0.00000 0 30 32 0 0 0 999 V2000 4.2167 -4.3042 0.0000 S 0 0 3 0 0 0 0 0 0 4.9292 -3.8917 0.0000 C 0 0 0 0 0 0 0 0 0 5.6875 -4.2250 0.0000 S 0 0 0 0 0 0 0 0 0 4.2167 -5.1292 0.0000 N 0 0 0 0 0 0 0 0 0 6.2375 -3.6042 0.0000 C 0 0 0 0 0 0 0 0 0 3.5042 -5.5417 0.0000 C 0 0 3 0 0 0 0 0 0 5.0167 -3.0667 0.0000 C 0 0 0 0 0 0 0 0 0 5.8250 -2.8917 0.0000 C 0 0 0 0 0 0 0 0 0 2.7917 -5.1292 0.0000 C 0 0 0 0 0 0 0 0 0 4.2167 -6.7792 0.0000 C 0 0 0 0 0 0 0 0 0 4.9292 -7.1917 0.0000 C 0 0 0 0 0 0 0 0 0 4.0042 -3.5042 0.0000 O 0 0 0 0 0 0 0 0 0 3.4167 -4.5167 0.0000 O 0 0 0 0 0 0 0 0 0 7.0542 -3.6917 0.0000 C 0 0 0 0 0 0 0 0 0 2.7917 -4.3042 0.0000 O 0 0 0 0 0 0 0 0 0 7.3917 -4.4417 0.0000 C 0 0 0 0 0 0 0 0 0 7.5417 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 3.5042 -6.3667 0.0000 C 0 0 0 0 0 0 0 0 0 5.6417 -7.6042 0.0000 C 0 0 0 0 0 0 0 0 0 2.0792 -5.5417 0.0000 O 0 0 0 0 0 0 0 0 0 8.7000 -3.8667 0.0000 C 0 0 0 0 0 0 0 0 0 8.3542 -3.1125 0.0000 C 0 0 0 0 0 0 0 0 0 8.2125 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 9.5167 -3.9542 0.0000 O 0 0 0 0 0 0 0 0 0 6.3542 -7.1917 0.0000 C 0 0 0 0 0 0 0 0 0 5.6417 -8.4250 0.0000 C 0 0 0 0 0 0 0 0 0 9.8542 -4.7042 0.0000 C 0 0 0 0 0 0 0 0 0 7.0625 -7.6000 0.0000 C 0 0 0 0 0 0 0 0 0 6.3500 -8.8375 0.0000 C 0 0 0 0 0 0 0 0 0 7.0667 -8.4292 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 1 1 0 0 0 5 3 1 0 0 0 6 4 1 0 0 0 7 2 2 0 0 0 8 7 1 0 0 0 9 6 1 0 0 0 10 18 1 0 0 0 11 10 3 0 0 0 12 1 2 0 0 0 13 1 2 0 0 0 14 5 1 0 0 0 15 9 2 0 0 0 16 14 2 0 0 0 17 14 1 0 0 0 18 6 1 0 0 0 19 11 1 0 0 0 20 9 1 0 0 0 21 22 1 0 0 0 22 17 2 0 0 0 23 16 1 0 0 0 24 21 1 0 0 0 25 19 1 0 0 0 26 19 2 0 0 0 27 24 1 0 0 0 28 25 2 0 0 0 29 26 1 0 0 0 30 29 2 0 0 0 5 8 2 0 0 0 23 21 2 0 0 0 30 28 1 0 0 0 M END > 7.48148606012211 > 5.48811663902113 $$$$ 11280715062D 1 1.00000 0.00000 0 28 29 0 0 0 999 V2000 -0.2833 -0.3250 0.0000 S 0 0 3 0 0 0 0 0 0 -0.7833 0.0125 0.0000 N 0 0 3 0 0 0 0 0 0 -0.6250 1.8125 0.0000 N 0 3 0 0 0 0 0 0 0 -1.3708 -0.0875 0.0000 C 0 0 3 0 0 0 0 0 0 -0.7250 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7458 0.3750 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1750 0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1250 1.4750 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5083 -0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0.2125 -0.6625 0.0000 O 0 0 0 0 0 0 0 0 0 0.0625 0.1708 0.0000 O 0 0 0 0 0 0 0 0 0 -0.5833 2.4208 0.0000 O 0 5 0 0 0 0 0 0 0 -1.1708 1.5625 0.0000 O 0 0 0 0 0 0 0 0 0 -2.3333 0.2750 0.0000 O 0 0 0 0 0 0 0 0 0 -1.7375 0.9750 0.0000 N 0 0 0 0 0 0 0 0 0 -0.1458 -1.3500 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1083 -0.9542 0.0000 C 0 0 0 0 0 0 0 0 0 -0.9708 -1.9875 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3708 -1.9000 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3333 -1.5125 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5750 -0.6375 0.0000 C 0 0 0 0 0 0 0 0 0 -2.2583 1.2750 0.0000 O 0 0 0 0 0 0 0 0 0 0.3167 0.5333 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1333 -2.5625 0.0000 O 0 0 0 0 0 0 0 0 0 0.4167 1.7375 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7083 -2.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0.8667 0.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0.9042 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 8 1 0 0 0 4 2 1 0 0 0 5 2 1 0 0 0 6 4 1 0 0 0 7 5 1 0 0 0 8 7 1 0 0 0 9 1 1 0 0 0 10 1 2 0 0 0 11 1 2 0 0 0 12 3 1 0 0 0 13 3 2 0 0 0 14 6 2 0 0 0 15 6 1 0 0 0 16 9 1 0 0 0 17 9 2 0 0 0 18 20 2 0 0 0 19 16 2 0 0 0 20 17 1 0 0 0 21 4 1 0 0 0 22 15 1 0 0 0 23 7 2 0 0 0 24 18 1 0 0 0 25 8 2 0 0 0 26 24 1 0 0 0 27 23 1 0 0 0 28 27 2 0 0 0 18 19 1 0 0 0 28 25 1 0 0 0 M CHG 2 3 1 12 -1 M END > 7.72124639904717 > 7.72124639904717 $$$$ 11280715512D 1 1.00000 0.00000 0 37 38 0 1 0 999 V2000 9.9231 -21.0027 0.0000 C 0 0 0 0 0 0 0 0 0 9.9220 -21.8296 0.0000 C 0 0 0 0 0 0 0 0 0 10.6364 -22.2422 0.0000 C 0 0 0 0 0 0 0 0 0 11.3524 -21.8292 0.0000 C 0 0 0 0 0 0 0 0 0 11.3496 -20.9990 0.0000 C 0 0 0 0 0 0 0 0 0 10.6346 -20.5900 0.0000 C 0 0 0 0 0 0 0 0 0 9.2033 -22.2538 0.0000 S 0 0 3 0 0 0 0 0 0 8.4793 -22.6769 0.0000 N 0 0 3 0 0 0 0 0 0 9.6285 -22.9742 0.0000 O 0 0 0 0 0 0 0 0 0 8.7755 -21.5324 0.0000 O 0 0 0 0 0 0 0 0 0 7.7552 -22.2711 0.0000 C 0 0 2 0 0 0 0 0 0 7.0459 -22.6908 0.0000 C 0 0 3 0 0 0 0 0 0 7.0545 -23.5217 0.0000 S 0 0 0 0 0 0 0 0 0 7.7870 -23.9232 0.0000 C 0 0 0 0 0 0 0 0 0 8.4942 -23.5063 0.0000 C 0 0 0 0 0 0 0 0 0 7.7402 -21.4466 0.0000 C 0 0 0 0 0 0 0 0 0 8.4425 -21.0221 0.0000 O 0 0 0 0 0 0 0 0 0 7.0143 -21.0424 0.0000 N 0 0 0 0 0 0 0 0 0 7.0034 -20.2178 0.0000 O 0 0 0 0 0 0 0 0 0 12.0670 -20.5778 0.0000 O 0 0 0 0 0 0 0 0 0 12.7811 -20.9957 0.0000 C 0 0 0 0 0 0 0 0 0 12.7711 -21.8212 0.0000 C 0 0 0 0 0 0 0 0 0 12.7668 -22.6519 0.0000 C 0 0 0 0 0 0 0 0 0 12.7576 -23.4841 0.0000 C 0 0 0 0 0 0 0 0 0 6.8301 -21.8939 0.0000 C 0 0 0 0 0 0 0 0 0 6.2220 -22.6436 0.0000 C 0 0 0 0 0 0 0 0 0 13.4672 -23.9041 0.0000 C 0 0 0 0 0 0 0 0 0 14.1859 -23.4998 0.0000 C 0 0 0 0 0 0 0 0 0 14.8954 -23.9198 0.0000 C 0 0 0 0 0 0 0 0 0 15.6140 -23.5154 0.0000 N 0 0 0 0 0 0 0 0 0 15.6231 -22.6909 0.0000 C 0 0 0 0 0 0 0 0 0 16.3417 -22.2864 0.0000 O 0 0 0 0 0 0 0 0 0 14.9135 -22.2707 0.0000 O 0 0 0 0 0 0 0 0 0 16.3507 -21.4619 0.0000 C 0 0 3 0 0 0 0 0 0 16.3465 -20.6362 0.0000 C 0 0 0 0 0 0 0 0 0 17.1753 -21.4643 0.0000 C 0 0 0 0 0 0 0 0 0 15.5261 -21.4606 0.0000 C 0 0 0 0 0 0 0 0 0 16 18 1 0 0 0 7 9 2 0 0 0 18 19 1 0 0 0 4 5 1 0 0 0 5 20 1 0 0 0 7 10 2 0 0 0 20 21 1 0 0 0 8 11 1 0 0 0 21 22 1 0 0 0 2 3 1 0 0 0 22 23 3 0 0 0 5 6 2 0 0 0 23 24 1 0 0 0 6 1 1 0 0 0 12 25 1 0 0 0 1 2 2 0 0 0 12 26 1 0 0 0 2 7 1 0 0 0 24 27 1 0 0 0 8 15 1 0 0 0 27 28 1 0 0 0 11 12 1 6 0 0 28 29 1 0 0 0 12 13 1 0 0 0 29 30 1 0 0 0 13 14 1 0 0 0 30 31 1 0 0 0 14 15 1 0 0 0 31 32 1 0 0 0 3 4 2 0 0 0 31 33 2 0 0 0 11 16 1 0 0 0 32 34 1 0 0 0 7 8 1 0 0 0 34 35 1 0 0 0 16 17 2 0 0 0 34 36 1 0 0 0 34 37 1 0 0 0 M END > 8.39794000867204 > 7.06048074738138 $$$$ 11280715022D 1 1.00000 0.00000 0 34 36 0 0 0 999 V2000 3.1500 -4.1292 0.0000 S 0 0 3 0 0 0 0 0 0 -0.4333 -6.1875 0.0000 S 0 0 3 0 0 0 0 0 0 2.4292 -3.7250 0.0000 N 0 0 0 0 0 0 0 0 0 1.7167 -4.1292 0.0000 C 0 0 3 0 0 0 0 0 0 0.2875 -6.6000 0.0000 N 0 0 3 0 0 0 0 0 0 1.0042 -3.7250 0.0000 C 0 0 0 0 0 0 0 0 0 1.7167 -4.9625 0.0000 C 0 0 3 0 0 0 0 0 0 3.8667 -3.7250 0.0000 C 0 0 0 0 0 0 0 0 0 1.0000 -6.1917 0.0000 C 0 0 3 0 0 0 0 0 0 1.0000 -5.3667 0.0000 C 0 0 0 0 0 0 0 0 0 2.5625 -4.7167 0.0000 O 0 0 0 0 0 0 0 0 0 3.7292 -4.7167 0.0000 O 0 0 0 0 0 0 0 0 0 -0.2208 -5.3875 0.0000 O 0 0 0 0 0 0 0 0 0 -1.2583 -6.1875 0.0000 O 0 0 0 0 0 0 0 0 0 5.2917 -2.8917 0.0000 C 0 0 0 0 0 0 0 0 0 6.0042 -2.4792 0.0000 C 0 0 0 0 0 0 0 0 0 1.0000 -2.9000 0.0000 O 0 0 0 0 0 0 0 0 0 3.8667 -2.9000 0.0000 C 0 0 0 0 0 0 0 0 0 4.5792 -4.1292 0.0000 C 0 0 0 0 0 0 0 0 0 4.5792 -2.4792 0.0000 C 0 0 0 0 0 0 0 0 0 5.2917 -3.7250 0.0000 C 0 0 0 0 0 0 0 0 0 6.7167 -2.8917 0.0000 C 0 0 0 0 0 0 0 0 0 6.0000 -1.6542 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6458 -6.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0.2875 -4.1292 0.0000 O 0 0 0 0 0 0 0 0 0 7.4292 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 6.7042 -1.2417 0.0000 C 0 0 0 0 0 0 0 0 0 7.4292 -2.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0.2792 -7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 2.4292 -5.3667 0.0000 C 0 0 0 0 0 0 0 0 0 1.7125 -6.6042 0.0000 C 0 0 0 0 0 0 0 0 0 8.1417 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 2.4292 -6.1917 0.0000 C 0 0 0 0 0 0 0 0 0 8.8542 -1.6417 0.0000 C 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 3 1 1 0 0 0 4 3 1 0 0 0 5 9 1 0 0 0 6 4 1 0 0 0 7 4 1 0 0 0 8 1 1 0 0 0 9 10 1 0 0 0 10 7 1 0 0 0 11 1 2 0 0 0 12 1 2 0 0 0 13 2 2 0 0 0 14 2 2 0 0 0 15 21 1 0 0 0 16 15 1 0 0 0 17 6 2 0 0 0 18 8 2 0 0 0 19 8 1 0 0 0 20 18 1 0 0 0 21 19 2 0 0 0 22 16 2 0 0 0 23 16 1 0 0 0 24 2 1 0 0 0 25 6 1 0 0 0 26 27 1 0 0 0 27 23 2 0 0 0 28 22 1 0 0 0 29 5 1 0 0 0 30 7 1 0 0 0 31 33 1 0 0 0 32 26 1 0 0 0 33 30 1 0 0 0 34 32 1 0 0 0 20 15 2 0 0 0 9 31 1 0 0 0 28 26 2 0 0 0 M END > 7.53760200210104 > 5.33161408331 $$$$ 11280715102D 1 1.00000 0.00000 0 33 35 0 0 0 999 V2000 6.6042 -2.4292 0.0000 S 0 0 3 0 0 0 0 0 0 6.0167 -2.2792 0.0000 N 0 0 0 0 0 0 0 0 0 5.5042 -2.5792 0.0000 C 0 0 3 0 0 0 0 0 0 5.4792 -4.3792 0.0000 N 0 0 3 0 0 0 0 0 0 5.4792 -4.9792 0.0000 C 0 0 0 0 0 0 0 0 0 4.9792 -2.2792 0.0000 C 0 0 0 0 0 0 0 0 0 7.1792 -2.2667 0.0000 C 0 0 0 0 0 0 0 0 0 6.8542 -1.9042 0.0000 O 0 0 0 0 0 0 0 0 0 6.7542 -3.0042 0.0000 O 0 0 0 0 0 0 0 0 0 5.4917 -3.1792 0.0000 C 0 0 3 0 0 0 0 0 0 6.0042 -4.0792 0.0000 C 0 0 0 0 0 0 0 0 0 4.9667 -4.0667 0.0000 C 0 0 0 0 0 0 0 0 0 4.9542 -5.2667 0.0000 O 0 0 0 0 0 0 0 0 0 8.2167 -1.6667 0.0000 C 0 0 0 0 0 0 0 0 0 4.9792 -1.6792 0.0000 O 0 0 0 0 0 0 0 0 0 7.6917 -2.5667 0.0000 C 0 0 0 0 0 0 0 0 0 7.1792 -1.6667 0.0000 C 0 0 0 0 0 0 0 0 0 4.9667 -3.4667 0.0000 C 0 0 0 0 0 0 0 0 0 6.0042 -3.4792 0.0000 C 0 0 0 0 0 0 0 0 0 7.6917 -1.3667 0.0000 C 0 0 0 0 0 0 0 0 0 8.2167 -2.2667 0.0000 C 0 0 0 0 0 0 0 0 0 8.7292 -1.3542 0.0000 C 0 0 0 0 0 0 0 0 0 5.9917 -5.2792 0.0000 O 0 0 0 0 0 0 0 0 0 4.4542 -2.5792 0.0000 O 0 0 0 0 0 0 0 0 0 7.5417 -4.9667 0.0000 O 0 0 0 0 0 0 0 0 0 9.2542 -1.6542 0.0000 C 0 0 0 0 0 0 0 0 0 8.7167 -0.7542 0.0000 C 0 0 0 0 0 0 0 0 0 6.5042 -4.9667 0.0000 C 0 0 0 0 0 0 0 0 0 7.0292 -5.2667 0.0000 C 0 0 0 0 0 0 0 0 0 8.0667 -5.2667 0.0000 C 0 0 0 0 0 0 0 0 0 9.7792 -1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 9.2417 -0.4542 0.0000 C 0 0 0 0 0 0 0 0 0 9.7667 -0.7417 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 11 1 0 0 0 5 4 1 0 0 0 6 3 1 0 0 0 7 1 1 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 3 1 0 0 0 11 19 1 0 0 0 12 18 1 0 0 0 13 5 2 0 0 0 14 20 1 0 0 0 15 6 2 0 0 0 16 7 2 0 0 0 17 7 1 0 0 0 18 10 1 0 0 0 19 10 1 0 0 0 20 17 2 0 0 0 21 16 1 0 0 0 22 14 1 0 0 0 23 5 1 0 0 0 24 6 1 0 0 0 25 29 1 0 0 0 26 22 2 0 0 0 27 22 1 0 0 0 28 23 1 0 0 0 29 28 1 0 0 0 30 25 1 0 0 0 31 26 1 0 0 0 32 27 2 0 0 0 33 32 1 0 0 0 21 14 2 0 0 0 12 4 1 0 0 0 31 33 2 0 0 0 M END > 7.2572748686953 > 5.21824462534753 $$$$ 11280715242D 1 1.00000 0.00000 0 28 30 0 0 0 999 V2000 4.8750 -1.7375 0.0000 S 0 0 3 0 0 0 0 0 0 4.8750 -2.3375 0.0000 N 0 0 3 0 0 0 0 0 0 4.3625 -2.6375 0.0000 C 0 0 3 0 0 0 0 0 0 3.8417 -2.3375 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -2.6375 0.0000 C 0 0 0 0 0 0 0 0 0 4.8750 -3.5375 0.0000 N 0 0 3 0 0 0 0 0 0 5.3917 -1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 4.3625 -3.2375 0.0000 C 0 0 0 0 0 0 0 0 0 4.3250 -1.3500 0.0000 O 0 0 0 0 0 0 0 0 0 5.5875 -2.1500 0.0000 O 0 0 0 0 0 0 0 0 0 3.8375 -1.7375 0.0000 O 0 0 0 0 0 0 0 0 0 5.3917 -3.2375 0.0000 C 0 0 0 0 0 0 0 0 0 3.3167 -2.6375 0.0000 N 0 0 0 0 0 0 0 0 0 4.8750 -4.1292 0.0000 C 0 0 0 0 0 0 0 0 0 5.9125 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 6.4292 -0.8292 0.0000 C 0 0 0 0 0 0 0 0 0 5.9042 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 6.4292 -1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -4.4375 0.0000 C 0 0 0 0 0 0 0 0 0 2.8000 -2.3375 0.0000 O 0 0 0 0 0 0 0 0 0 6.9500 -0.5292 0.0000 O 0 0 0 0 0 0 0 0 0 5.9125 -4.1292 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -5.0375 0.0000 C 0 0 0 0 0 0 0 0 0 7.4667 -0.8292 0.0000 C 0 0 0 0 0 0 0 0 0 5.9042 -5.3375 0.0000 C 0 0 0 0 0 0 0 0 0 6.4292 -4.4292 0.0000 C 0 0 0 0 0 0 0 0 0 6.4292 -5.0375 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 2 1 0 0 0 6 12 1 0 0 0 7 1 1 0 0 0 8 3 1 0 0 0 9 1 2 0 0 0 10 1 2 0 0 0 11 4 2 0 0 0 12 5 1 0 0 0 13 4 1 0 0 0 14 6 1 0 0 0 15 7 2 0 0 0 16 7 1 0 0 0 17 18 1 0 0 0 18 16 2 0 0 0 19 15 1 0 0 0 20 14 1 0 0 0 21 13 1 0 0 0 22 17 1 0 0 0 23 20 1 0 0 0 24 20 2 0 0 0 25 22 1 0 0 0 26 24 1 0 0 0 27 23 2 0 0 0 28 26 2 0 0 0 17 19 2 0 0 0 6 8 1 0 0 0 28 27 1 0 0 0 M END > 8.09691001300806 > 6.48945498979339 $$$$ 11280715072D 1 1.00000 0.00000 0 43 45 0 1 0 999 V2000 5.3792 -2.5917 0.0000 N 0 0 0 0 0 0 0 0 0 4.6667 -3.0125 0.0000 C 0 0 0 0 0 0 0 0 0 2.5250 -2.6125 0.0000 P 0 0 3 0 0 0 0 0 0 -2.4833 -0.5667 0.0000 C 0 0 3 0 0 0 0 0 0 3.9500 -2.6042 0.0000 C 0 0 3 0 0 0 0 0 0 6.0917 -3.0042 0.0000 C 0 0 2 0 0 0 0 0 0 -2.4833 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 6.8042 -2.5875 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7625 -1.8042 0.0000 C 0 0 0 0 0 0 0 0 0 3.2375 -3.0167 0.0000 C 0 0 0 0 0 0 0 0 0 6.1000 -3.8292 0.0000 C 0 0 3 0 0 0 0 0 0 2.5167 -1.7875 0.0000 O 0 0 0 0 0 0 0 0 0 4.6667 -3.8375 0.0000 O 0 0 0 0 0 0 0 0 0 -1.0500 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 3.9417 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 6.8042 -1.7625 0.0000 O 0 0 0 0 0 0 0 0 0 1.8125 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4875 0.2583 0.0000 F 0 0 0 0 0 0 0 0 0 -3.3083 -0.5750 0.0000 F 0 0 0 0 0 0 0 0 0 -1.6625 -0.5542 0.0000 F 0 0 0 0 0 0 0 0 0 7.5250 -3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 2.5167 -3.4375 0.0000 O 0 0 0 0 0 0 0 0 0 -0.3333 -1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 1.0917 -2.6167 0.0000 C 0 0 0 0 0 0 0 0 0 4.6542 -1.3625 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3333 -2.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0.3667 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 1.0875 -1.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0.3792 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 4.6542 -0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7625 -2.6375 0.0000 C 0 0 0 0 0 0 0 0 0 -3.1958 -1.8125 0.0000 C 0 0 0 0 0 0 0 0 0 6.9250 -3.8292 0.0000 C 0 0 0 0 0 0 0 0 0 6.1125 -4.6542 0.0000 C 0 0 0 0 0 0 0 0 0 5.2750 -3.8250 0.0000 C 0 0 0 0 0 0 0 0 0 8.2375 -2.5792 0.0000 C 0 0 0 0 0 0 0 0 0 5.3667 -0.1250 0.0000 C 0 0 0 0 0 0 0 0 0 3.9417 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4833 -3.0500 0.0000 C 0 0 0 0 0 0 0 0 0 -3.1958 -2.6375 0.0000 C 0 0 0 0 0 0 0 0 0 3.9292 0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 5.3625 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 4.6417 1.1083 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 10 1 0 0 0 4 7 1 0 0 0 5 2 1 0 0 0 6 1 1 0 0 0 7 9 2 0 0 0 8 6 1 0 0 0 9 14 1 0 0 0 10 5 1 0 0 0 6 11 1 6 0 0 12 3 2 0 0 0 13 2 2 0 0 0 14 23 1 0 0 0 5 15 1 0 0 0 16 8 2 0 0 0 17 3 1 0 0 0 18 4 1 0 0 0 19 4 1 0 0 0 20 4 1 0 0 0 21 8 1 0 0 0 22 3 1 0 0 0 23 26 2 0 0 0 24 17 1 0 0 0 25 15 1 0 0 0 26 29 1 0 0 0 27 28 2 0 0 0 28 24 1 0 0 0 29 24 2 0 0 0 30 25 1 0 0 0 31 9 1 0 0 0 32 7 1 0 0 0 33 11 1 0 0 0 34 11 1 0 0 0 35 11 1 0 0 0 36 21 1 0 0 0 37 30 2 0 0 0 38 30 1 0 0 0 39 31 2 0 0 0 40 39 1 0 0 0 41 38 2 0 0 0 42 37 1 0 0 0 43 41 1 0 0 0 43 42 2 0 0 0 23 27 1 0 0 0 40 32 2 0 0 0 M END > 7.50863830616573 > 6.18708664335714 $$$$ 11280715452D 1 1.00000 0.00000 0 31 33 0 1 0 999 V2000 -0.7083 -1.2250 0.0000 S 0 0 3 0 0 0 0 0 0 -0.7083 -0.4000 0.0000 N 0 0 3 0 0 0 0 0 0 0.0042 0.0083 0.0000 C 0 0 1 0 0 0 0 0 0 0.7167 -0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7083 -2.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0.0042 0.8333 0.0000 C 0 0 2 0 0 0 0 0 0 0.1167 -1.2250 0.0000 O 0 0 0 0 0 0 0 0 0 -1.5333 -1.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0.6917 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1 1 0 0 0 6 3 1 0 0 0 7 1 2 0 0 0 8 1 2 0 0 0 9 14 1 0 0 0 10 4 2 0 0 0 11 9 2 0 0 0 12 9 1 0 0 0 13 4 1 0 0 0 14 19 1 0 0 0 15 2 1 0 0 0 16 5 1 0 0 0 17 5 2 0 0 0 18 11 1 0 0 0 19 21 1 0 0 0 20 12 2 0 0 0 21 25 2 0 0 0 6 22 1 1 0 0 23 20 1 0 0 0 24 16 2 0 0 0 25 17 1 0 0 0 26 20 1 0 0 0 27 13 1 0 0 0 28 29 1 0 0 0 29 15 1 0 0 0 6 30 1 6 0 0 31 11 1 0 0 0 21 24 1 0 0 0 28 6 1 0 0 0 23 18 2 0 0 0 M END > 8.60205999132796 > 6.22184874961636 $$$$ 11280715442D 1 1.00000 0.00000 0 36 39 0 0 0 999 V2000 0.1250 0.5583 0.0000 S 0 0 3 0 0 0 0 0 0 0.1042 -0.2125 0.0000 N 0 0 3 0 0 0 0 0 0 -0.0333 -1.9042 0.0000 N 0 0 3 0 0 0 0 0 0 -0.5333 -0.6292 0.0000 C 0 0 3 0 0 0 0 0 0 -0.2625 -2.6292 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5833 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0.8292 -0.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0.7167 -1.8042 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1833 -0.2417 0.0000 C 0 0 0 0 0 0 0 0 0 1.1042 -1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0083 -2.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0.1500 1.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0.8875 0.5333 0.0000 O 0 0 0 0 0 0 0 0 0 -0.6333 0.5833 0.0000 O 0 0 0 0 0 0 0 0 0 0.9167 4.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0.9375 5.4667 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7583 -2.6542 0.0000 O 0 0 0 0 0 0 0 0 0 0.2542 -3.2000 0.0000 O 0 0 0 0 0 0 0 0 0 -1.1750 0.5125 0.0000 O 0 0 0 0 0 0 0 0 0 -0.9208 -3.5542 0.0000 C 0 0 0 0 0 0 0 0 0 -1.8458 -0.6167 0.0000 N 0 0 0 0 0 0 0 0 0 -2.1333 -3.3167 0.0000 C 0 0 0 0 0 0 0 0 0 -1.6125 -3.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0.8292 1.6750 0.0000 C 0 0 0 0 0 0 0 0 0 -0.4958 1.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0.1917 2.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0.8542 2.4458 0.0000 C 0 0 0 0 0 0 0 0 0 -0.4708 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 -2.5000 -0.2375 0.0000 O 0 0 0 0 0 0 0 0 0 1.8542 -1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0.9000 3.9583 0.0000 C 0 0 0 0 0 0 0 0 0 1.0917 -2.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0.2250 3.6083 0.0000 O 0 0 0 0 0 0 0 0 0 0.9625 6.2375 0.0000 C 0 0 0 0 0 0 0 0 0 2.2292 -1.8042 0.0000 C 0 0 0 0 0 0 0 0 0 1.8542 -2.4542 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 6 1 0 0 0 4 2 1 0 0 0 5 3 1 0 0 0 6 4 1 0 0 0 7 2 1 0 0 0 8 10 2 0 0 0 9 4 1 0 0 0 10 7 1 0 0 0 11 5 1 0 0 0 12 1 1 0 0 0 13 1 2 0 0 0 14 1 2 0 0 0 15 31 1 0 0 0 16 15 3 0 0 0 17 11 1 0 0 0 18 5 2 0 0 0 19 9 2 0 0 0 20 11 2 0 0 0 21 9 1 0 0 0 22 17 1 0 0 0 23 20 1 0 0 0 24 12 2 0 0 0 25 12 1 0 0 0 26 28 1 0 0 0 27 24 1 0 0 0 28 25 2 0 0 0 29 21 1 0 0 0 30 10 1 0 0 0 31 33 1 0 0 0 32 8 1 0 0 0 33 26 1 0 0 0 34 16 1 0 0 0 35 30 2 0 0 0 36 35 1 0 0 0 27 26 2 0 0 0 3 8 1 0 0 0 32 36 2 0 0 0 23 22 2 0 0 0 M END > 8.15490195998574 > 6.90308998699194 $$$$ 11280715162D 1 1.00000 0.00000 0 33 35 0 0 0 999 V2000 3.6250 -1.5167 0.0000 S 0 0 3 0 0 0 0 0 0 2.9042 -1.1042 0.0000 N 0 0 3 0 0 0 0 0 0 2.1917 -1.5250 0.0000 C 0 0 0 0 0 0 0 0 0 1.4792 -1.1125 0.0000 C 0 0 0 0 0 0 0 0 0 2.9125 -3.5917 0.0000 N 0 0 3 0 0 0 0 0 0 2.1917 -2.3542 0.0000 C 0 0 0 0 0 0 0 0 0 1.4750 -0.2875 0.0000 C 0 0 0 0 0 0 0 0 0 2.9125 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 4.3375 -1.9292 0.0000 C 0 0 0 0 0 0 0 0 0 2.4667 -4.2750 0.0000 C 0 0 3 0 0 0 0 0 0 1.6417 -4.3042 0.0000 C 0 0 0 0 0 0 0 0 0 4.3375 -1.1042 0.0000 O 0 0 0 0 0 0 0 0 0 3.6250 -2.3417 0.0000 O 0 0 0 0 0 0 0 0 0 2.1917 0.1250 0.0000 O 0 0 0 0 0 0 0 0 0 1.2375 -5.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0.7625 0.1208 0.0000 N 0 0 0 0 0 0 0 0 0 4.3292 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 5.0417 -1.5167 0.0000 C 0 0 0 0 0 0 0 0 0 3.7042 -3.8167 0.0000 C 0 0 0 0 0 0 0 0 0 2.9042 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0.7667 -1.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0.9292 -3.8917 0.0000 O 0 0 0 0 0 0 0 0 0 1.4792 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 5.7542 -2.7417 0.0000 C 0 0 0 0 0 0 0 0 0 5.0417 -3.1542 0.0000 C 0 0 0 0 0 0 0 0 0 5.7542 -1.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0.7542 0.9458 0.0000 O 0 0 0 0 0 0 0 0 0 6.4667 -3.1542 0.0000 O 0 0 0 0 0 0 0 0 0 2.9667 -4.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0.7667 -2.3542 0.0000 C 0 0 0 0 0 0 0 0 0 3.7250 -4.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0.1292 -4.1042 0.0000 C 0 0 0 0 0 0 0 0 0 7.1792 -2.7375 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 2 0 0 0 5 8 1 0 0 0 6 3 1 0 0 0 7 4 1 0 0 0 8 6 1 0 0 0 9 1 1 0 0 0 10 5 1 0 0 0 11 10 1 0 0 0 12 1 2 0 0 0 13 1 2 0 0 0 14 7 2 0 0 0 15 11 2 0 0 0 16 7 1 0 0 0 17 9 2 0 0 0 18 9 1 0 0 0 19 5 1 0 0 0 20 2 1 0 0 0 21 4 1 0 0 0 22 11 1 0 0 0 23 6 2 0 0 0 24 26 1 0 0 0 25 17 1 0 0 0 26 18 2 0 0 0 27 16 1 0 0 0 28 24 1 0 0 0 29 10 1 0 0 0 30 23 1 0 0 0 31 19 1 0 0 0 32 22 1 0 0 0 33 28 1 0 0 0 24 25 2 0 0 0 30 21 2 0 0 0 31 29 1 0 0 0 M END > 8.22184874961636 > 6.28650945690606 $$$$ 11280715192D 1 1.00000 0.00000 0 27 29 0 1 0 999 V2000 7.4167 -3.9375 0.0000 S 0 0 3 0 0 0 0 0 0 2.8792 -1.7750 0.0000 N 0 0 0 0 0 0 0 0 0 4.1167 -2.4917 0.0000 C 0 0 0 0 0 0 0 0 0 2.4667 -2.4792 0.0000 C 0 0 0 0 0 0 0 0 0 4.9417 -2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 3.7042 -1.7750 0.0000 N 0 0 0 0 0 0 0 0 0 1.6417 -2.5292 0.0000 C 0 0 0 0 0 0 0 0 0 6.5917 -3.9375 0.0000 N 0 0 0 0 0 0 0 0 0 5.3542 -3.2125 0.0000 C 0 0 0 0 0 0 0 0 0 1.1250 -1.8917 0.0000 S 0 0 0 0 0 0 0 0 0 6.1792 -3.2167 0.0000 C 0 0 2 0 0 0 0 0 0 0.3542 -2.1792 0.0000 C 0 0 0 0 0 0 0 0 0 3.7042 -3.2042 0.0000 S 0 0 0 0 0 0 0 0 0 1.2000 -3.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0.4042 -3.0042 0.0000 C 0 0 0 0 0 0 0 0 0 7.4042 -3.1125 0.0000 O 0 0 0 0 0 0 0 0 0 8.2417 -3.9375 0.0000 O 0 0 0 0 0 0 0 0 0 7.8167 -4.6542 0.0000 C 0 0 0 0 0 0 0 0 0 2.8792 -3.2000 0.0000 C 0 0 0 0 0 0 0 0 0 4.9417 -3.9250 0.0000 O 0 0 0 0 0 0 0 0 0 -0.3333 -1.7417 0.0000 Cl 0 0 0 0 0 0 0 0 0 6.5917 -2.5042 0.0000 C 0 0 0 0 0 0 0 0 0 8.6417 -4.6542 0.0000 C 0 0 0 0 0 0 0 0 0 7.4042 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 7.8042 -6.0792 0.0000 C 0 0 0 0 0 0 0 0 0 9.0542 -5.3667 0.0000 C 0 0 0 0 0 0 0 0 0 8.6292 -6.0875 0.0000 C 0 0 0 0 0 0 0 0 0 2 6 1 0 0 0 3 5 1 0 0 0 4 19 1 0 0 0 5 9 1 0 0 0 6 3 2 0 0 0 7 4 1 0 0 0 8 1 1 0 0 0 9 11 1 0 0 0 10 7 1 0 0 0 11 8 1 0 0 0 12 10 1 0 0 0 13 3 1 0 0 0 14 7 2 0 0 0 15 14 1 0 0 0 16 1 2 0 0 0 17 1 2 0 0 0 18 1 1 0 0 0 19 13 1 0 0 0 20 9 2 0 0 0 21 12 1 0 0 0 11 22 1 6 0 0 23 18 1 0 0 0 24 18 2 0 0 0 25 24 1 0 0 0 26 23 2 0 0 0 27 25 2 0 0 0 26 27 1 0 0 0 2 4 2 0 0 0 12 15 2 0 0 0 M END > 6.32790214206428 > 6.34678748622466 $$$$ 11280715142D 1 1.00000 0.00000 0 22 22 0 0 0 999 V2000 3.0792 -0.7792 0.0000 S 0 0 3 0 0 0 0 0 0 2.3667 -2.0375 0.0000 C 0 0 3 0 0 0 0 0 0 2.3542 -1.2042 0.0000 N 0 0 0 0 0 0 0 0 0 1.6625 -2.4542 0.0000 C 0 0 0 0 0 0 0 0 0 3.8000 -0.3542 0.0000 C 0 0 0 0 0 0 0 0 0 6.6542 2.1333 0.0000 C 0 0 0 0 0 0 0 0 0 7.3792 2.5500 0.0000 C 0 0 0 0 0 0 0 0 0 3.5042 -1.5042 0.0000 O 0 0 0 0 0 0 0 0 0 2.6542 -0.0625 0.0000 O 0 0 0 0 0 0 0 0 0 1.6667 -3.2792 0.0000 O 0 0 0 0 0 0 0 0 0 0.9417 -2.0417 0.0000 N 0 0 0 0 0 0 0 0 0 3.8000 0.4708 0.0000 C 0 0 0 0 0 0 0 0 0 4.5125 -0.7667 0.0000 C 0 0 0 0 0 0 0 0 0 5.2292 0.4708 0.0000 C 0 0 0 0 0 0 0 0 0 3.0917 -2.4417 0.0000 C 0 0 0 0 0 0 0 0 0 1.6542 -1.6250 0.0000 C 0 0 0 0 0 0 0 0 0 5.2292 -0.3542 0.0000 C 0 0 0 0 0 0 0 0 0 4.5125 0.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0.2292 -2.4542 0.0000 O 0 0 0 0 0 0 0 0 0 5.9417 1.7208 0.0000 C 0 0 0 0 0 0 0 0 0 5.9500 0.8958 0.0000 O 0 0 0 0 0 0 0 0 0 8.1000 2.9708 0.0000 C 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 3 1 1 0 0 0 4 2 1 0 0 0 5 1 1 0 0 0 6 20 1 0 0 0 7 6 3 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 4 2 0 0 0 11 4 1 0 0 0 12 5 2 0 0 0 13 5 1 0 0 0 14 17 1 0 0 0 2 15 1 0 0 0 16 2 1 0 0 0 17 13 2 0 0 0 18 12 1 0 0 0 19 11 1 0 0 0 20 21 1 0 0 0 21 14 1 0 0 0 22 7 1 0 0 0 18 14 2 0 0 0 M END > 6.40230481407449 > 8 $$$$ 11280714592D 1 1.00000 0.00000 0 35 36 0 0 0 999 V2000 5.0417 -7.1792 0.0000 S 0 0 3 0 0 0 0 0 0 4.5167 -6.8792 0.0000 N 0 0 3 0 0 0 0 0 0 6.6042 -5.0667 0.0000 N 0 3 0 0 0 0 0 0 0 5.5625 -7.4792 0.0000 C 0 0 0 0 0 0 0 0 0 7.1167 -6.5625 0.0000 C 0 0 0 0 0 0 0 0 0 3.9917 -7.1792 0.0000 C 0 0 0 0 0 0 0 0 0 6.6042 -7.4667 0.0000 C 0 0 0 0 0 0 0 0 0 6.0750 -7.1750 0.0000 C 0 0 0 0 0 0 0 0 0 3.4667 -6.8792 0.0000 C 0 0 0 0 0 0 0 0 0 7.1292 -7.1667 0.0000 N 0 0 0 0 0 0 0 0 0 5.3417 -6.6542 0.0000 O 0 0 0 0 0 0 0 0 0 4.7375 -7.6917 0.0000 O 0 0 0 0 0 0 0 0 0 6.0875 -5.3667 0.0000 C 0 0 0 0 0 0 0 0 0 7.1292 -5.3667 0.0000 O 0 5 0 0 0 0 0 0 0 4.5167 -6.2750 0.0000 C 0 0 0 0 0 0 0 0 0 6.6042 -4.4625 0.0000 O 0 0 0 0 0 0 0 0 0 7.6500 -6.2625 0.0000 O 0 0 0 0 0 0 0 0 0 6.6042 -8.0792 0.0000 C 0 0 0 0 0 0 0 0 0 6.6000 -6.2625 0.0000 O 0 0 0 0 0 0 0 0 0 5.5625 -8.0792 0.0000 C 0 0 0 0 0 0 0 0 0 2.9500 -7.1792 0.0000 O 0 0 0 0 0 0 0 0 0 3.4667 -6.2750 0.0000 N 0 0 0 0 0 0 0 0 0 6.0792 -8.3792 0.0000 C 0 0 0 0 0 0 0 0 0 8.1667 -6.5625 0.0000 C 0 0 3 0 0 0 0 0 0 6.0875 -5.9667 0.0000 C 0 0 0 0 0 0 0 0 0 5.5625 -5.0667 0.0000 C 0 0 0 0 0 0 0 0 0 5.0417 -5.9667 0.0000 C 0 0 0 0 0 0 0 0 0 5.5625 -6.2750 0.0000 C 0 0 0 0 0 0 0 0 0 5.0417 -5.3667 0.0000 C 0 0 0 0 0 0 0 0 0 7.1292 -8.3792 0.0000 O 0 0 0 0 0 0 0 0 0 2.9500 -5.9667 0.0000 O 0 0 0 0 0 0 0 0 0 8.1750 -7.1667 0.0000 C 0 0 0 0 0 0 0 0 0 8.6917 -6.2542 0.0000 C 0 0 0 0 0 0 0 0 0 8.6917 -6.8667 0.0000 C 0 0 0 0 0 0 0 0 0 7.6500 -8.0792 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 13 1 0 0 0 4 1 1 0 0 0 5 10 1 0 0 0 6 2 1 0 0 0 7 8 2 0 0 0 8 4 1 0 0 0 9 6 1 0 0 0 10 7 1 0 0 0 11 1 2 0 0 0 12 1 2 0 0 0 13 26 1 0 0 0 14 3 1 0 0 0 15 2 1 0 0 0 16 3 2 0 0 0 17 5 1 0 0 0 18 23 2 0 0 0 19 5 2 0 0 0 20 4 2 0 0 0 21 9 2 0 0 0 22 9 1 0 0 0 23 20 1 0 0 0 24 17 1 0 0 0 25 28 1 0 0 0 26 29 2 0 0 0 27 15 1 0 0 0 28 27 2 0 0 0 29 27 1 0 0 0 30 18 1 0 0 0 31 22 1 0 0 0 32 24 1 0 0 0 33 24 1 0 0 0 34 24 1 0 0 0 35 30 1 0 0 0 7 18 1 0 0 0 25 13 2 0 0 0 M CHG 2 3 1 14 -1 M END > 8.22184874961636 > 8.22184874961636 $$$$ SciTegic11161115462D 33 37 0 0 0 0 999 V2000 -3.5804 -7.4253 0.0000 C 0 0 -4.2966 -7.8367 0.0000 C 0 0 -4.2983 -8.6581 0.0000 C 0 0 -3.5856 -9.0743 0.0000 N 0 0 -2.8694 -8.6629 0.0000 C 0 0 -2.8660 -7.8353 0.0000 C 0 0 -2.8660 -7.0126 0.0000 S 0 0 -2.4537 -6.2981 0.0000 O 0 0 -3.2787 -6.2983 0.0000 O 0 0 -2.1514 -7.4250 0.0000 C 0 0 -2.1526 -8.2523 0.0000 C 0 0 -1.4378 -8.6652 0.0000 C 0 0 -0.7213 -8.2519 0.0000 C 0 0 -0.7242 -7.4213 0.0000 C 0 0 -1.4396 -7.0122 0.0000 C 0 0 -0.0062 -8.6632 0.0000 O 0 0 -4.2949 -7.0130 0.0000 C 0 0 -4.2951 -6.1880 0.0000 O 0 0 -5.0093 -7.4256 0.0000 N 0 0 -5.7239 -7.0133 0.0000 O 0 0 0.7076 -8.2496 0.0000 C 0 0 1.4194 -8.6614 0.0000 C 0 0 1.4117 -7.0114 0.0000 C 0 0 0.7013 -7.4267 0.0000 C 0 0 -3.5885 -9.8993 0.0000 C 0 0 -3.9985 -10.6113 0.0000 C 0 0 -3.1735 -10.6142 0.0000 C 0 0 2.1289 -7.4207 0.0000 C 0 0 2.1356 -8.2446 0.0000 C 0 0 2.8484 -8.6485 0.0000 O 0 0 3.5592 -8.2331 0.0000 C 0 0 3.5526 -7.4092 0.0000 C 0 0 2.8351 -7.0007 0.0000 O 0 0 7 1 1 0 1 2 1 0 1 17 1 0 1 6 1 0 17 18 2 0 2 3 1 0 17 19 1 0 3 4 1 0 19 20 1 0 10 11 2 0 16 21 1 0 4 5 1 0 21 22 2 0 22 29 1 0 11 12 1 0 28 23 1 0 5 6 1 0 23 24 2 0 24 21 1 0 12 13 2 0 4 25 1 0 26 25 1 0 27 26 1 0 25 27 1 0 8 7 2 0 13 14 1 0 28 29 2 0 7 9 2 0 14 15 2 0 15 10 1 0 13 16 1 0 10 7 1 0 28 33 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 M END > 9.30102999566398 > 5.22184874961636 $$$$ 11280715232D 1 1.00000 0.00000 0 23 23 0 0 0 999 V2000 5.1167 -2.8792 0.0000 S 0 0 3 0 0 0 0 0 0 5.8292 -3.2667 0.0000 C 0 0 0 0 0 0 0 0 0 5.8417 -4.0792 0.0000 C 0 0 0 0 0 0 0 0 0 6.5250 -2.8417 0.0000 C 0 0 0 0 0 0 0 0 0 4.4167 -2.4750 0.0000 N 0 0 0 0 0 0 0 0 0 7.2375 -3.2375 0.0000 C 0 0 0 0 0 0 0 0 0 6.5542 -4.4750 0.0000 C 0 0 0 0 0 0 0 0 0 7.2542 -4.0500 0.0000 C 0 0 0 0 0 0 0 0 0 3.7125 -2.8792 0.0000 C 0 0 3 0 0 0 0 0 0 3.0000 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 5.8125 -2.1500 0.0000 O 0 0 0 0 0 0 0 0 0 4.3667 -3.5917 0.0000 O 0 0 0 0 0 0 0 0 0 2.3000 -2.8792 0.0000 O 0 0 0 0 0 0 0 0 0 6.5042 -2.0292 0.0000 F 0 0 0 0 0 0 0 0 0 5.1500 -4.5042 0.0000 F 0 0 0 0 0 0 0 0 0 3.0000 -1.6625 0.0000 N 0 0 0 0 0 0 0 0 0 6.5750 -5.2875 0.0000 F 0 0 0 0 0 0 0 0 0 7.9292 -2.8125 0.0000 F 0 0 0 0 0 0 0 0 0 7.9667 -4.4417 0.0000 F 0 0 0 0 0 0 0 0 0 3.7125 -3.6917 0.0000 C 0 0 3 0 0 0 0 0 0 2.3000 -1.2542 0.0000 O 0 0 0 0 0 0 0 0 0 3.0000 -4.1000 0.0000 C 0 0 0 0 0 0 0 0 0 3.9125 -4.4875 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 2 0 0 0 4 2 1 0 0 0 5 1 1 0 0 0 6 4 2 0 0 0 7 3 1 0 0 0 8 6 1 0 0 0 9 5 1 0 0 0 10 9 1 0 0 0 11 1 2 0 0 0 12 1 2 0 0 0 13 10 2 0 0 0 14 4 1 0 0 0 15 3 1 0 0 0 16 10 1 0 0 0 17 7 1 0 0 0 18 6 1 0 0 0 19 8 1 0 0 0 20 9 1 0 0 0 21 16 1 0 0 0 22 20 1 0 0 0 23 20 1 0 0 0 7 8 2 0 0 0 M END > 7.39794000867204 > 7.39794000867204 $$$$ 11280714532D 1 1.00000 0.00000 0 40 44 0 0 0 999 V2000 2.6625 0.8458 0.0000 S 0 0 3 0 0 0 0 0 0 1.9542 0.4208 0.0000 N 0 0 3 0 0 0 0 0 0 1.9542 -0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 1.2417 -0.8167 0.0000 C 0 0 0 0 0 0 0 0 0 2.6750 -0.8167 0.0000 C 0 0 0 0 0 0 0 0 0 2.6750 -1.6417 0.0000 C 0 0 0 0 0 0 0 0 0 1.9542 -2.0542 0.0000 N 0 0 0 0 0 0 0 0 0 0.5292 -0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 1.2417 -1.6417 0.0000 C 0 0 0 0 0 0 0 0 0 3.3792 1.2458 0.0000 C 0 0 0 0 0 0 0 0 0 3.3917 -2.0542 0.0000 C 0 0 0 0 0 0 0 0 0 3.0667 0.1333 0.0000 O 0 0 0 0 0 0 0 0 0 2.2417 1.5583 0.0000 O 0 0 0 0 0 0 0 0 0 1.2292 0.8333 0.0000 C 0 0 0 0 0 0 0 0 0 3.3917 -2.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0.5292 0.4208 0.0000 O 0 0 0 0 0 0 0 0 0 1.9292 2.8958 0.0000 N 0 0 0 0 0 0 0 0 0 -0.1833 -0.8167 0.0000 N 0 0 0 0 0 0 0 0 0 1.2292 1.6583 0.0000 C 0 0 0 0 0 0 0 0 0 4.0875 0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 3.3875 2.0708 0.0000 C 0 0 0 0 0 0 0 0 0 3.3792 -0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 4.8167 2.0500 0.0000 C 0 0 0 0 0 0 0 0 0 4.1042 -3.2875 0.0000 C 0 0 0 0 0 0 0 0 0 4.8042 1.2250 0.0000 C 0 0 0 0 0 0 0 0 0 4.1042 2.4708 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8958 -0.4042 0.0000 O 0 0 0 0 0 0 0 0 0 1.9417 2.0708 0.0000 C 0 0 0 0 0 0 0 0 0 4.1042 -1.6375 0.0000 C 0 0 0 0 0 0 0 0 0 5.5375 2.4583 0.0000 O 0 0 0 0 0 0 0 0 0 4.1000 -0.8042 0.0000 C 0 0 0 0 0 0 0 0 0 1.2125 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0.5125 2.0583 0.0000 C 0 0 0 0 0 0 0 0 0 4.1042 -4.1125 0.0000 C 0 0 0 0 0 0 0 0 0 4.8167 -2.8667 0.0000 C 0 0 0 0 0 0 0 0 0 6.2417 2.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0.5042 2.8833 0.0000 C 0 0 0 0 0 0 0 0 0 5.5292 -3.2792 0.0000 C 0 0 0 0 0 0 0 0 0 4.8167 -4.5167 0.0000 C 0 0 0 0 0 0 0 0 0 5.5292 -4.1042 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 3 2 0 0 0 6 5 1 0 0 0 7 6 2 0 0 0 8 4 1 0 0 0 9 4 2 0 0 0 10 1 1 0 0 0 11 6 1 0 0 0 12 1 2 0 0 0 13 1 2 0 0 0 14 2 1 0 0 0 15 11 1 0 0 0 16 8 2 0 0 0 17 28 2 0 0 0 18 8 1 0 0 0 19 14 1 0 0 0 20 10 2 0 0 0 21 10 1 0 0 0 22 5 1 0 0 0 23 26 1 0 0 0 24 15 1 0 0 0 25 20 1 0 0 0 26 21 2 0 0 0 27 18 1 0 0 0 28 19 1 0 0 0 29 31 1 0 0 0 30 23 1 0 0 0 31 22 2 0 0 0 32 37 2 0 0 0 33 19 2 0 0 0 34 24 2 0 0 0 35 24 1 0 0 0 36 30 1 0 0 0 37 33 1 0 0 0 38 35 2 0 0 0 39 34 1 0 0 0 40 38 1 0 0 0 23 25 2 0 0 0 7 9 1 0 0 0 32 17 1 0 0 0 29 11 2 0 0 0 40 39 2 0 0 0 M END > 8.52287874528034 > 7 $$$$ 11280715002D 1 1.00000 0.00000 0 26 27 0 0 0 999 V2000 7.2667 -4.8042 0.0000 N 0 3 0 0 0 0 0 0 0 5.7042 -6.9250 0.0000 C 0 0 0 0 0 0 0 0 0 5.1792 -6.6167 0.0000 N 0 0 3 0 0 0 0 0 0 5.7042 -7.5292 0.0000 N 0 0 0 0 0 0 0 0 0 4.1292 -6.6167 0.0000 C 0 0 0 0 0 0 0 0 0 6.7500 -5.1125 0.0000 C 0 0 0 0 0 0 0 0 0 4.6542 -6.9250 0.0000 C 0 0 0 0 0 0 0 0 0 7.7917 -5.1125 0.0000 O 0 5 0 0 0 0 0 0 0 7.2667 -4.2042 0.0000 O 0 0 0 0 0 0 0 0 0 6.2292 -6.6167 0.0000 O 0 0 0 0 0 0 0 0 0 5.1792 -6.0167 0.0000 C 0 0 0 0 0 0 0 0 0 6.2292 -7.8292 0.0000 C 0 0 0 0 0 0 0 0 0 3.6125 -6.9250 0.0000 O 0 0 0 0 0 0 0 0 0 6.7417 -7.5292 0.0000 C 0 0 0 0 0 0 0 0 0 4.1292 -6.0167 0.0000 N 0 0 0 0 0 0 0 0 0 6.7500 -5.7167 0.0000 C 0 0 0 0 0 0 0 0 0 6.2167 -4.8042 0.0000 C 0 0 0 0 0 0 0 0 0 5.7042 -5.7167 0.0000 C 0 0 0 0 0 0 0 0 0 7.2625 -7.8292 0.0000 C 0 0 0 0 0 0 0 0 0 5.7042 -5.1125 0.0000 C 0 0 0 0 0 0 0 0 0 6.2292 -6.0167 0.0000 C 0 0 0 0 0 0 0 0 0 7.7917 -7.5250 0.0000 Cl 0 0 0 0 0 0 0 0 0 3.6125 -5.7167 0.0000 O 0 0 0 0 0 0 0 0 0 6.7500 -8.7375 0.0000 C 0 0 0 0 0 0 0 0 0 6.2167 -8.4292 0.0000 C 0 0 0 0 0 0 0 0 0 7.2667 -8.4292 0.0000 C 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 3 11 1 0 0 0 4 2 1 0 0 0 5 7 1 0 0 0 6 1 1 0 0 0 7 3 1 0 0 0 8 1 1 0 0 0 9 1 2 0 0 0 10 2 2 0 0 0 11 18 1 0 0 0 12 4 1 0 0 0 13 5 2 0 0 0 14 12 1 0 0 0 15 5 1 0 0 0 16 6 2 0 0 0 17 6 1 0 0 0 18 20 1 0 0 0 19 14 2 0 0 0 20 17 2 0 0 0 21 16 1 0 0 0 22 19 1 0 0 0 23 15 1 0 0 0 24 25 1 0 0 0 25 12 2 0 0 0 26 24 2 0 0 0 18 21 2 0 0 0 19 26 1 0 0 0 M CHG 2 1 1 8 -1 M END > 7.79588001734407 > 7.79588001734407 $$$$ CDK 9/16/09,10:8 34 36 0 0 0 0 0 0 0 0999 V2000 9.3293 -21.0259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3379 -21.8503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0537 -22.2572 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7653 -21.8398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7567 -21.0153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0408 -20.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0581 -23.0816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3470 -23.5011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7777 -23.4905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0364 -19.7756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3168 -19.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3124 -18.5380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4642 -19.7640 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.8755 -19.0457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0528 -20.4823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1825 -20.1753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6951 -18.9546 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.8644 -18.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1460 -17.7331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5330 -18.2892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5939 -17.7639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2883 -18.2103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3592 -16.5629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6303 -16.9436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0584 -17.0076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0226 -17.8314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4889 -23.0735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7895 -16.6265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4850 -17.0691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2161 -16.6881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2056 -23.4808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9168 -23.0637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7469 -19.3563 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6016 -19.7821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13 16 2 0 0 0 0 14 17 1 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 14 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 21 22 2 0 0 0 0 22 26 1 0 0 0 0 5 6 1 0 0 0 0 25 23 1 0 0 0 0 3 7 1 0 0 0 0 23 24 2 0 0 0 0 24 21 1 0 0 0 0 18 21 1 0 0 0 0 25 26 2 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 6 1 6 0 0 0 9 27 1 0 0 0 0 25 28 1 0 0 0 0 10 11 1 0 0 0 0 28 29 1 0 0 0 0 11 12 2 0 0 0 0 29 30 1 0 0 0 0 27 31 1 0 0 0 0 31 32 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 10 33 1 0 0 0 0 33 13 1 0 0 0 0 11 34 1 0 0 0 0 M END > 9 > 5.0301183562535 $$$$ CDK 9/16/09,10:8 33 35 0 0 0 0 0 0 0 0999 V2000 3.0227 -21.5821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0312 -22.4060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7466 -22.8126 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4577 -22.3954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4492 -21.5716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7338 -21.1565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7510 -23.6364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0404 -24.0558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4702 -24.0451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7294 -20.3327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0102 -19.9240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0059 -19.0960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1572 -20.3210 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.5681 -19.6032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7461 -21.0388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8749 -20.7320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5564 -18.7025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8385 -18.2914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2259 -18.8472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2854 -18.3223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9794 -18.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0501 -17.1220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3218 -17.5025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7490 -17.5664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7132 -18.3898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1808 -23.6284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8971 -24.0354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1752 -22.8045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4796 -17.1856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1746 -17.6280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4399 -19.9134 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2954 -20.3391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3873 -19.5122 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13 15 2 0 0 0 0 13 16 2 0 0 0 0 14 33 1 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 33 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 14 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 20 21 2 0 0 0 0 21 25 1 0 0 0 0 5 6 1 0 0 0 0 24 22 1 0 0 0 0 3 7 1 0 0 0 0 22 23 2 0 0 0 0 23 20 1 0 0 0 0 17 20 1 0 0 0 0 24 25 2 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 6 1 6 0 0 0 9 26 1 0 0 0 0 26 27 1 0 0 0 0 10 11 1 0 0 0 0 26 28 1 0 0 0 0 11 12 2 0 0 0 0 24 29 1 0 0 0 0 29 30 1 0 0 0 0 13 14 1 0 0 0 0 10 31 1 0 0 0 0 31 13 1 0 0 0 0 11 32 1 0 0 0 0 M END > 9.22184874961636 > 6.02227639471115 $$$$ 11280715212D 1 1.00000 0.00000 0 21 22 0 0 0 999 V2000 1.6500 1.2375 0.0000 S 0 0 3 0 0 0 0 0 0 0.2167 1.2458 0.0000 C 0 0 3 0 0 0 0 0 0 0.9292 1.6625 0.0000 N 0 0 0 0 0 0 0 0 0 -0.5000 1.6625 0.0000 C 0 0 0 0 0 0 0 0 0 2.3667 0.8125 0.0000 C 0 0 0 0 0 0 0 0 0 2.0667 1.9583 0.0000 O 0 0 0 0 0 0 0 0 0 1.2250 0.5208 0.0000 O 0 0 0 0 0 0 0 0 0 -0.5000 2.4958 0.0000 O 0 0 0 0 0 0 0 0 0 -1.2125 1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 3.0792 1.2250 0.0000 C 0 0 0 0 0 0 0 0 0 2.3667 -0.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0.8875 0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 -0.4458 0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 3.8000 -0.0167 0.0000 C 0 0 0 0 0 0 0 0 0 3.0792 -0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 3.8000 0.8125 0.0000 C 0 0 0 0 0 0 0 0 0 -1.2125 0.4208 0.0000 O 0 0 0 0 0 0 0 0 0 4.5167 -0.4375 0.0000 O 0 0 0 0 0 0 0 0 0 4.5167 -1.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0.6292 -0.0250 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1958 -0.0250 0.0000 C 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 3 1 1 0 0 0 4 2 1 0 0 0 5 1 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 4 2 0 0 0 9 4 1 0 0 0 10 5 1 0 0 0 11 5 2 0 0 0 12 2 1 0 0 0 13 2 1 0 0 0 14 15 2 0 0 0 15 11 1 0 0 0 16 10 2 0 0 0 17 9 1 0 0 0 18 14 1 0 0 0 19 18 1 0 0 0 20 12 1 0 0 0 21 13 1 0 0 0 14 16 1 0 0 0 20 21 1 0 0 0 M END > 7.30102999566398 > 6.04575749056067 $$$$ 11280715002D 1 1.00000 0.00000 0 39 41 0 0 0 999 V2000 3.9042 -7.2292 0.0000 S 0 0 3 0 0 0 0 0 0 7.5792 -7.2417 0.0000 S 0 0 3 0 0 0 0 0 0 3.3917 -6.9292 0.0000 N 0 0 3 0 0 0 0 0 0 7.0125 -7.0417 0.0000 N 0 0 0 0 0 0 0 0 0 5.4792 -5.1167 0.0000 N 0 3 0 0 0 0 0 0 0 6.5500 -7.4292 0.0000 C 0 0 0 0 0 0 0 0 0 4.4292 -7.5292 0.0000 C 0 0 0 0 0 0 0 0 0 2.8625 -7.2292 0.0000 C 0 0 0 0 0 0 0 0 0 2.3417 -6.9292 0.0000 C 0 0 0 0 0 0 0 0 0 8.1375 -7.4625 0.0000 C 0 0 0 0 0 0 0 0 0 3.6042 -7.7500 0.0000 O 0 0 0 0 0 0 0 0 0 4.2167 -6.7125 0.0000 O 0 0 0 0 0 0 0 0 0 4.9417 -7.2292 0.0000 C 0 0 0 0 0 0 0 0 0 4.9625 -5.4167 0.0000 C 0 0 0 0 0 0 0 0 0 7.7792 -6.6792 0.0000 O 0 0 0 0 0 0 0 0 0 7.3667 -7.8125 0.0000 O 0 0 0 0 0 0 0 0 0 5.9792 -7.2167 0.0000 N 0 0 0 0 0 0 0 0 0 6.0042 -5.4167 0.0000 O 0 5 0 0 0 0 0 0 0 3.3917 -6.3250 0.0000 C 0 0 0 0 0 0 0 0 0 5.4792 -4.5167 0.0000 O 0 0 0 0 0 0 0 0 0 5.4542 -7.5250 0.0000 C 0 0 0 0 0 0 0 0 0 6.5542 -7.9667 0.0000 O 0 0 0 0 0 0 0 0 0 1.8167 -7.2292 0.0000 O 0 0 0 0 0 0 0 0 0 2.3417 -6.3250 0.0000 N 0 0 0 0 0 0 0 0 0 8.2375 -8.0542 0.0000 C 0 0 0 0 0 0 0 0 0 8.6042 -7.0792 0.0000 C 0 0 0 0 0 0 0 0 0 4.9625 -6.0250 0.0000 C 0 0 0 0 0 0 0 0 0 4.4292 -5.1167 0.0000 C 0 0 0 0 0 0 0 0 0 3.9042 -6.0167 0.0000 C 0 0 0 0 0 0 0 0 0 4.4375 -6.3292 0.0000 C 0 0 0 0 0 0 0 0 0 3.9042 -5.4167 0.0000 C 0 0 0 0 0 0 0 0 0 8.8000 -8.2667 0.0000 C 0 0 0 0 0 0 0 0 0 9.1667 -7.2792 0.0000 C 0 0 0 0 0 0 0 0 0 9.2542 -7.8792 0.0000 C 0 0 0 0 0 0 0 0 0 1.8167 -6.0167 0.0000 O 0 0 0 0 0 0 0 0 0 4.4250 -8.1292 0.0000 C 0 0 0 0 0 0 0 0 0 4.9417 -8.4250 0.0000 C 0 0 0 0 0 0 0 0 0 5.4542 -8.1292 0.0000 C 0 0 0 0 0 0 0 0 0 9.8292 -8.0917 0.0000 C 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 3 1 1 0 0 0 4 6 1 0 0 0 5 14 1 0 0 0 6 17 1 0 0 0 7 1 1 0 0 0 8 3 1 0 0 0 9 8 1 0 0 0 10 2 1 0 0 0 11 1 2 0 0 0 12 1 2 0 0 0 13 7 1 0 0 0 14 28 1 0 0 0 15 2 2 0 0 0 16 2 2 0 0 0 17 21 1 0 0 0 18 5 1 0 0 0 19 3 1 0 0 0 20 5 2 0 0 0 21 13 2 0 0 0 22 6 2 0 0 0 23 9 2 0 0 0 24 9 1 0 0 0 25 10 2 0 0 0 26 10 1 0 0 0 27 30 1 0 0 0 28 31 2 0 0 0 29 19 1 0 0 0 30 29 2 0 0 0 31 29 1 0 0 0 32 25 1 0 0 0 33 26 2 0 0 0 34 33 1 0 0 0 35 24 1 0 0 0 36 7 2 0 0 0 37 36 1 0 0 0 38 37 2 0 0 0 39 34 1 0 0 0 21 38 1 0 0 0 27 14 2 0 0 0 32 34 2 0 0 0 M CHG 2 5 1 18 -1 M END > 7.69897000433602 > 7.69897000433602 $$$$ 11280715232D 1 1.00000 0.00000 0 16 16 0 0 0 999 V2000 4.9167 -2.8500 0.0000 C 0 0 0 0 0 0 0 0 0 5.6792 -2.8167 0.0000 S 0 0 3 0 0 0 0 0 0 4.5042 -2.1792 0.0000 C 0 0 0 0 0 0 0 0 0 4.5542 -3.5167 0.0000 C 0 0 0 0 0 0 0 0 0 3.7875 -3.5417 0.0000 C 0 0 0 0 0 0 0 0 0 3.7375 -2.2125 0.0000 C 0 0 0 0 0 0 0 0 0 3.3792 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 6.4750 -2.8167 0.0000 N 0 0 0 0 0 0 0 0 0 5.6667 -2.0292 0.0000 O 0 0 0 0 0 0 0 0 0 5.6667 -3.6917 0.0000 O 0 0 0 0 0 0 0 0 0 4.8875 -1.4917 0.0000 F 0 0 0 0 0 0 0 0 0 4.9667 -4.1792 0.0000 F 0 0 0 0 0 0 0 0 0 3.3292 -1.5417 0.0000 F 0 0 0 0 0 0 0 0 0 3.4125 -4.2292 0.0000 F 0 0 0 0 0 0 0 0 0 2.5917 -2.9042 0.0000 F 0 0 0 0 0 0 0 0 0 6.6875 -3.8167 0.0000 O 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 2 0 0 0 4 1 1 0 0 0 5 4 2 0 0 0 6 3 1 0 0 0 7 5 1 0 0 0 8 2 1 0 0 0 9 2 2 0 0 0 10 2 2 0 0 0 11 3 1 0 0 0 12 4 1 0 0 0 13 6 1 0 0 0 14 5 1 0 0 0 15 7 1 0 0 0 16 8 1 0 0 0 6 7 2 0 0 0 M END > 6.30102999566398 > 6.39794000867204 $$$$ CDK 9/16/09,9:58 38 39 0 0 0 0 0 0 0 0999 V2000 11.3162 -6.0409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0307 -6.4534 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.7451 -6.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4597 -6.4534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7451 -5.2159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1742 -6.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1742 -5.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8886 -4.8034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8886 -3.9784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8886 -6.4534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6031 -6.0409 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.8886 -7.2784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6031 -5.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3175 -6.4534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0321 -6.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3175 -7.2784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0321 -5.2159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7465 -6.4534 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.4610 -6.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4597 -7.2784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7451 -7.6909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0307 -7.2784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3162 -7.6909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6022 -7.2754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8882 -7.6872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8878 -8.5131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6073 -8.9254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3183 -8.5112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0321 -7.6909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0289 -8.5169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7426 -8.9294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4580 -8.5168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4554 -7.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7411 -7.2788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1730 -8.9284 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.8869 -8.5149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6020 -8.9264 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.8858 -7.6899 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3 5 2 0 0 0 0 4 20 1 6 0 0 0 6 10 1 0 0 0 0 20 21 1 0 0 0 0 2 3 1 0 0 0 0 21 22 1 0 0 0 0 10 11 1 0 0 0 0 22 23 1 0 0 0 0 4 6 1 0 0 0 0 23 24 2 0 0 0 0 10 12 2 0 0 0 0 24 25 1 0 0 0 0 1 2 1 0 0 0 0 25 26 2 0 0 0 0 6 7 1 1 0 0 0 26 27 1 0 0 0 0 11 14 1 0 0 0 0 27 28 2 0 0 0 0 28 23 1 0 0 0 0 3 4 1 0 0 0 0 16 29 1 0 0 0 0 14 15 1 0 0 0 0 29 30 2 0 0 0 0 7 8 1 0 0 0 0 30 31 1 0 0 0 0 14 16 1 6 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 15 17 2 0 0 0 0 33 34 2 0 0 0 0 34 29 1 0 0 0 0 8 9 1 0 0 0 0 32 35 1 0 0 0 0 15 18 1 0 0 0 0 35 36 1 0 0 0 0 8 13 1 0 0 0 0 36 37 1 0 0 0 0 18 19 1 0 0 0 0 36 38 2 0 0 0 0 M END > 10 > 8.22184874961636 $$$$ 11280714482D 1 1.00000 0.00000 0 28 31 0 1 0 999 V2000 4.8542 0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 5.2667 -0.6500 0.0000 N 0 0 3 0 0 0 0 0 0 4.0417 -0.0917 0.0000 N 0 0 0 0 0 0 0 0 0 3.9542 -0.9292 0.0000 C 0 0 1 0 0 0 0 0 0 3.2375 -1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 4.7042 -1.2667 0.0000 C 0 0 0 0 0 0 0 0 0 6.9542 -4.4292 0.0000 C 0 0 0 0 0 0 0 0 0 6.0875 -0.7292 0.0000 C 0 0 0 0 0 0 0 0 0 7.4417 -3.7625 0.0000 O 0 0 0 0 0 0 0 0 0 7.2917 -5.1875 0.0000 C 0 0 0 0 0 0 0 0 0 5.1792 0.8333 0.0000 O 0 0 0 0 0 0 0 0 0 3.2375 -2.1667 0.0000 O 0 0 0 0 0 0 0 0 0 2.5167 -0.9292 0.0000 N 0 0 0 0 0 0 0 0 0 7.1000 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 6.8042 -5.8542 0.0000 C 0 0 0 0 0 0 0 0 0 6.4292 -1.4917 0.0000 C 0 0 0 0 0 0 0 0 0 1.8042 -1.3417 0.0000 O 0 0 0 0 0 0 0 0 0 7.5917 -2.3292 0.0000 C 0 0 0 0 0 0 0 0 0 6.2750 -2.9125 0.0000 C 0 0 0 0 0 0 0 0 0 5.9375 -2.1542 0.0000 C 0 0 0 0 0 0 0 0 0 7.2542 -1.5750 0.0000 C 0 0 0 0 0 0 0 0 0 6.1250 -4.3417 0.0000 C 0 0 0 0 0 0 0 0 0 5.6417 -5.0125 0.0000 C 0 0 0 0 0 0 0 0 0 8.1125 -5.2667 0.0000 C 0 0 0 0 0 0 0 0 0 5.9792 -5.7667 0.0000 C 0 0 0 0 0 0 0 0 0 7.1417 -6.6042 0.0000 C 0 0 0 0 0 0 0 0 0 8.4500 -6.0167 0.0000 C 0 0 0 0 0 0 0 0 0 7.9667 -6.6917 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 3 1 0 0 0 4 5 1 6 0 0 6 2 1 0 0 0 7 9 1 0 0 0 8 2 1 0 0 0 9 14 1 0 0 0 10 7 1 0 0 0 11 1 2 0 0 0 12 5 2 0 0 0 13 5 1 0 0 0 14 18 1 0 0 0 15 10 1 0 0 0 16 8 1 0 0 0 17 13 1 0 0 0 18 21 2 0 0 0 19 20 1 0 0 0 20 16 2 0 0 0 21 16 1 0 0 0 22 7 2 0 0 0 23 22 1 0 0 0 24 10 2 0 0 0 25 23 2 0 0 0 26 15 2 0 0 0 27 24 1 0 0 0 28 27 2 0 0 0 4 6 1 0 0 0 14 19 2 0 0 0 15 25 1 0 0 0 26 28 1 0 0 0 M END > 6.08354605145008 > 5.09582563171584 $$$$ 11280715052D 1 1.00000 0.00000 0 36 39 0 0 0 999 V2000 5.3500 -5.9167 0.0000 S 0 0 3 0 0 0 0 0 0 3.2542 -6.5542 0.0000 C 0 0 0 0 0 0 0 0 0 4.5250 -5.8875 0.0000 N 0 0 3 0 0 0 0 0 0 4.0875 -6.5875 0.0000 C 0 0 0 0 0 0 0 0 0 4.4667 -7.3167 0.0000 C 0 0 0 0 0 0 0 0 0 2.8667 -5.8250 0.0000 C 0 0 0 0 0 0 0 0 0 6.1750 -5.9167 0.0000 C 0 0 0 0 0 0 0 0 0 12.3542 -6.6042 0.0000 C 0 0 0 0 0 0 0 0 0 5.7292 -6.6500 0.0000 O 0 0 0 0 0 0 0 0 0 5.7875 -5.2167 0.0000 O 0 0 0 0 0 0 0 0 0 2.8167 -7.2542 0.0000 C 0 0 0 0 0 0 0 0 0 13.6250 -6.1792 0.0000 S 0 0 0 0 0 0 0 0 0 4.0292 -8.0167 0.0000 C 0 0 0 0 0 0 0 0 0 12.8417 -5.9292 0.0000 C 0 0 0 0 0 0 0 0 0 3.2042 -7.9792 0.0000 C 0 0 0 0 0 0 0 0 0 7.8167 -5.9167 0.0000 C 0 0 0 0 0 0 0 0 0 8.6417 -5.9125 0.0000 C 0 0 0 0 0 0 0 0 0 12.8375 -7.2625 0.0000 C 0 0 0 0 0 0 0 0 0 13.6167 -7.0042 0.0000 C 0 0 0 0 0 0 0 0 0 3.3167 -5.1250 0.0000 O 0 0 0 0 0 0 0 0 0 2.0417 -5.7917 0.0000 N 0 0 0 0 0 0 0 0 0 6.5792 -6.6292 0.0000 C 0 0 0 0 0 0 0 0 0 6.5792 -5.2042 0.0000 C 0 0 0 0 0 0 0 0 0 7.4000 -5.2042 0.0000 C 0 0 0 0 0 0 0 0 0 7.4042 -6.6292 0.0000 C 0 0 0 0 0 0 0 0 0 9.0417 -5.2000 0.0000 C 0 0 0 0 0 0 0 0 0 9.0500 -6.6250 0.0000 C 0 0 0 0 0 0 0 0 0 11.5292 -6.6125 0.0000 C 0 0 0 0 0 0 0 0 0 11.1125 -5.9000 0.0000 O 0 0 0 0 0 0 0 0 0 10.2875 -5.9042 0.0000 C 0 0 0 0 0 0 0 0 0 4.1417 -5.1542 0.0000 C 0 0 0 0 0 0 0 0 0 2.7625 -8.6792 0.0000 Br 0 0 0 0 0 0 0 0 0 9.8667 -5.1917 0.0000 C 0 0 0 0 0 0 0 0 0 9.8750 -6.6250 0.0000 C 0 0 0 0 0 0 0 0 0 1.6042 -6.4917 0.0000 O 0 0 0 0 0 0 0 0 0 5.2667 -7.5292 0.0000 C 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 3 1 1 0 0 0 4 3 1 0 0 0 5 4 2 0 0 0 6 2 1 0 0 0 7 1 1 0 0 0 8 28 1 0 0 0 9 1 2 0 0 0 10 1 2 0 0 0 11 2 2 0 0 0 12 14 1 0 0 0 13 5 1 0 0 0 14 8 2 0 0 0 15 13 2 0 0 0 16 24 1 0 0 0 17 16 1 0 0 0 18 8 1 0 0 0 19 18 2 0 0 0 20 6 2 0 0 0 21 6 1 0 0 0 22 7 2 0 0 0 23 7 1 0 0 0 24 23 2 0 0 0 25 22 1 0 0 0 26 17 1 0 0 0 27 17 2 0 0 0 28 29 1 0 0 0 29 30 1 0 0 0 30 34 2 0 0 0 31 3 1 0 0 0 32 15 1 0 0 0 33 26 2 0 0 0 34 27 1 0 0 0 35 21 1 0 0 0 36 5 1 0 0 0 25 16 2 0 0 0 11 15 1 0 0 0 33 30 1 0 0 0 19 12 1 0 0 0 M END > 6.84771165561694 > 5.33348201944512 $$$$ 11280715142D 1 1.00000 0.00000 0 40 44 0 0 0 999 V2000 6.6750 -3.7917 0.0000 S 0 0 3 0 0 0 0 0 0 6.3792 -4.5750 0.0000 N 0 0 3 0 0 0 0 0 0 5.3417 -6.1042 0.0000 N 0 0 3 0 0 0 0 0 0 5.5667 -4.6375 0.0000 C 0 0 3 0 0 0 0 0 0 4.7292 -6.6542 0.0000 C 0 0 0 0 0 0 0 0 0 5.1042 -5.3167 0.0000 C 0 0 0 0 0 0 0 0 0 6.9500 -5.1750 0.0000 C 0 0 0 0 0 0 0 0 0 6.1167 -6.4042 0.0000 C 0 0 0 0 0 0 0 0 0 5.1542 -3.9125 0.0000 C 0 0 0 0 0 0 0 0 0 6.8292 -5.9917 0.0000 C 0 0 0 0 0 0 0 0 0 6.9625 -3.0125 0.0000 C 0 0 0 0 0 0 0 0 0 7.6375 -3.8042 0.0000 O 0 0 0 0 0 0 0 0 0 6.0792 -3.0875 0.0000 O 0 0 0 0 0 0 0 0 0 4.9042 -7.4625 0.0000 C 0 0 0 0 0 0 0 0 0 3.9500 -6.4042 0.0000 O 0 0 0 0 0 0 0 0 0 5.5792 -3.1917 0.0000 O 0 0 0 0 0 0 0 0 0 5.2542 -9.0750 0.0000 C 0 0 0 0 0 0 0 0 0 4.3292 -3.9042 0.0000 N 0 0 0 0 0 0 0 0 0 4.3000 -8.0167 0.0000 C 0 0 0 0 0 0 0 0 0 5.6917 -7.7167 0.0000 C 0 0 0 0 0 0 0 0 0 5.8667 -8.5167 0.0000 C 0 0 0 0 0 0 0 0 0 4.4750 -8.8167 0.0000 C 0 0 0 0 0 0 0 0 0 7.7667 -2.8750 0.0000 C 0 0 0 0 0 0 0 0 0 6.4292 -2.3792 0.0000 C 0 0 0 0 0 0 0 0 0 5.4292 -9.8792 0.0000 C 0 0 0 0 0 0 0 0 0 7.5292 -1.4667 0.0000 C 0 0 0 0 0 0 0 0 0 8.0542 -2.1042 0.0000 C 0 0 0 0 0 0 0 0 0 6.7167 -1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 3.9167 -3.1917 0.0000 O 0 0 0 0 0 0 0 0 0 7.5417 -6.4042 0.0000 C 0 0 0 0 0 0 0 0 0 6.1167 -7.2375 0.0000 C 0 0 0 0 0 0 0 0 0 7.8125 -0.6792 0.0000 O 0 0 0 0 0 0 0 0 0 4.8167 -10.4292 0.0000 C 0 0 0 0 0 0 0 0 0 6.2125 -10.1417 0.0000 C 0 0 0 0 0 0 0 0 0 7.2792 -0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 7.5417 -7.2375 0.0000 C 0 0 0 0 0 0 0 0 0 6.8292 -7.6500 0.0000 C 0 0 0 0 0 0 0 0 0 6.3792 -10.9500 0.0000 C 0 0 0 0 0 0 0 0 0 4.9875 -11.2375 0.0000 C 0 0 0 0 0 0 0 0 0 5.7667 -11.5000 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 6 1 0 0 0 4 2 1 0 0 0 5 3 1 0 0 0 6 4 1 0 0 0 7 2 1 0 0 0 8 10 1 0 0 0 9 4 1 0 0 0 10 7 1 0 0 0 11 1 1 0 0 0 12 1 2 0 0 0 13 1 2 0 0 0 14 5 1 0 0 0 15 5 2 0 0 0 16 9 2 0 0 0 17 21 1 0 0 0 18 9 1 0 0 0 19 14 2 0 0 0 20 14 1 0 0 0 21 20 2 0 0 0 22 19 1 0 0 0 23 11 2 0 0 0 24 11 1 0 0 0 25 17 1 0 0 0 26 28 1 0 0 0 27 23 1 0 0 0 28 24 2 0 0 0 29 18 1 0 0 0 30 10 2 0 0 0 31 8 2 0 0 0 32 26 1 0 0 0 33 25 2 0 0 0 34 25 1 0 0 0 35 32 1 0 0 0 36 30 1 0 0 0 37 36 2 0 0 0 38 34 2 0 0 0 39 33 1 0 0 0 40 38 1 0 0 0 26 27 2 0 0 0 3 8 1 0 0 0 37 31 1 0 0 0 17 22 2 0 0 0 40 39 2 0 0 0 M END > 9.39794000867204 > 7.27572413039921 $$$$ 11280715442D 1 1.00000 0.00000 0 39 42 0 0 0 999 V2000 -0.2875 0.8708 0.0000 S 0 0 3 0 0 0 0 0 0 -0.3083 0.1833 0.0000 N 0 0 3 0 0 0 0 0 0 -0.8708 -0.1917 0.0000 C 0 0 3 0 0 0 0 0 0 -0.4250 -1.3292 0.0000 N 0 0 3 0 0 0 0 0 0 0.2417 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 -0.9250 -0.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0.3417 -0.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0.5792 -0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 -1.4583 0.1583 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6333 -1.9792 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2708 1.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0.3875 0.8583 0.0000 O 0 0 0 0 0 0 0 0 0 -0.9708 0.8958 0.0000 O 0 0 0 0 0 0 0 0 0 0.4167 4.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0.4375 5.2667 0.0000 C 0 0 0 0 0 0 0 0 0 1.2542 -3.0042 0.0000 N 0 0 3 0 0 0 0 0 0 0.5792 -1.8167 0.0000 C 0 0 0 0 0 0 0 0 0 -1.4583 0.8333 0.0000 O 0 0 0 0 0 0 0 0 0 0.5625 -4.1750 0.0000 N 0 0 0 0 0 0 0 0 0 1.2625 -0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1833 -2.4792 0.0000 O 0 0 0 0 0 0 0 0 0 1.2542 -1.8292 0.0000 C 0 0 0 0 0 0 0 0 0 -2.0500 -0.1792 0.0000 N 0 0 0 0 0 0 0 0 0 1.5917 -2.4167 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8458 1.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0.3375 1.8708 0.0000 C 0 0 0 0 0 0 0 0 0 1.6000 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2208 2.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0.3542 2.5583 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8250 2.5875 0.0000 C 0 0 0 0 0 0 0 0 0 -2.6333 0.1625 0.0000 O 0 0 0 0 0 0 0 0 0 0.4000 3.9083 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2000 3.5833 0.0000 O 0 0 0 0 0 0 0 0 0 -1.2958 -2.1292 0.0000 C 0 0 0 0 0 0 0 0 0 1.5917 -3.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0.5750 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0.4542 5.9417 0.0000 C 0 0 0 0 0 0 0 0 0 1.2500 -4.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0.2375 -3.5792 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 6 1 0 0 0 5 8 2 0 0 0 6 3 1 0 0 0 7 2 1 0 0 0 8 7 1 0 0 0 9 3 1 0 0 0 10 4 1 0 0 0 11 1 1 0 0 0 12 1 2 0 0 0 13 1 2 0 0 0 14 32 1 0 0 0 15 14 3 0 0 0 16 24 1 0 0 0 17 5 1 0 0 0 18 9 2 0 0 0 19 39 1 0 0 0 20 8 1 0 0 0 21 10 2 0 0 0 22 27 1 0 0 0 23 9 1 0 0 0 24 22 1 0 0 0 25 11 1 0 0 0 26 11 2 0 0 0 27 20 2 0 0 0 28 29 2 0 0 0 29 26 1 0 0 0 30 25 2 0 0 0 31 23 1 0 0 0 32 33 1 0 0 0 33 28 1 0 0 0 34 10 1 0 0 0 35 16 1 0 0 0 36 16 1 0 0 0 37 15 1 0 0 0 38 35 1 0 0 0 39 36 1 0 0 0 30 28 1 0 0 0 5 4 1 0 0 0 17 22 2 0 0 0 38 19 1 0 0 0 M END > 7.76955107862173 > 6.31605286924849 $$$$ SciTegic06011109532D 35 37 0 0 0 0 999 V2000 11.0155 0.1301 0.0000 C 0 0 11.4241 -0.5900 0.0000 C 0 0 12.2455 -0.5934 0.0000 C 0 0 12.6631 0.1185 0.0000 N 0 0 12.2531 0.8355 0.0000 C 0 0 11.4254 0.8406 0.0000 C 0 0 13.4881 0.1139 0.0000 S 0 0 13.8966 -0.6028 0.0000 C 0 0 13.2702 0.9145 0.0000 O 0 0 14.1964 0.5331 0.0000 O 0 0 14.7217 -0.6074 0.0000 C 0 0 1 0 0 0 15.1302 -1.3241 0.0000 N 0 0 15.1380 0.1049 0.0000 C 0 0 15.9631 0.1003 0.0000 C 0 0 1 0 0 0 16.3795 0.8125 0.0000 C 0 0 16.3716 -0.6164 0.0000 C 0 0 17.2047 0.8053 0.0000 N 0 0 17.6210 1.5166 0.0000 C 0 0 17.2124 2.2343 0.0000 C 0 0 16.3831 2.2362 0.0000 C 0 0 15.9705 1.5242 0.0000 N 0 0 14.7137 -2.0363 0.0000 C 0 0 15.9552 -1.3286 0.0000 O 0 0 13.8888 -2.0318 0.0000 O 0 0 17.6279 2.9471 0.0000 F 0 0 10.1905 0.1331 0.0000 O 0 0 9.7806 0.8491 0.0000 C 0 0 8.9556 0.8521 0.0000 C 0 0 8.5487 1.5708 0.0000 C 0 0 7.7244 1.5741 0.0000 C 0 0 7.3085 0.8606 0.0000 C 0 0 7.7228 0.1422 0.0000 C 0 0 8.5458 0.1424 0.0000 C 0 0 8.9656 2.2826 0.0000 Cl 0 0 6.4836 0.8624 0.0000 Cl 0 0 1 6 1 0 17 18 1 0 7 9 2 0 18 19 2 0 2 3 1 0 19 20 1 0 7 10 2 0 20 21 2 0 21 15 1 0 3 4 1 0 12 22 1 0 8 11 1 0 12 23 1 0 4 5 1 0 22 24 2 0 11 12 1 6 19 25 1 0 5 6 1 0 1 26 1 0 11 13 1 0 26 27 1 0 1 2 1 0 27 28 1 0 13 14 1 0 28 29 2 0 4 7 1 0 29 30 1 0 14 15 1 0 30 31 2 0 31 32 1 0 14 16 1 1 32 33 2 0 33 28 1 0 7 8 1 0 29 34 1 0 15 17 2 0 31 35 1 0 M END > 6.74472749489669 > 5.01322826573375 $$$$ 11280714532D 1 1.00000 0.00000 0 34 37 0 0 0 999 V2000 3.2417 -0.8917 0.0000 S 0 0 3 0 0 0 0 0 0 2.5292 -1.3125 0.0000 N 0 0 3 0 0 0 0 0 0 2.5375 -2.1375 0.0000 C 0 0 0 0 0 0 0 0 0 1.8250 -2.5500 0.0000 C 0 0 0 0 0 0 0 0 0 3.2542 -2.5500 0.0000 C 0 0 0 0 0 0 0 0 0 2.5375 -3.7917 0.0000 N 0 0 0 0 0 0 0 0 0 3.2542 -3.3750 0.0000 C 0 0 0 0 0 0 0 0 0 1.1125 -2.1417 0.0000 C 0 0 0 0 0 0 0 0 0 1.8250 -3.3792 0.0000 C 0 0 0 0 0 0 0 0 0 3.9542 -0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 3.6500 -1.6042 0.0000 O 0 0 0 0 0 0 0 0 0 2.8250 -0.1750 0.0000 O 0 0 0 0 0 0 0 0 0 1.8125 -0.9042 0.0000 C 0 0 0 0 0 0 0 0 0 3.9667 -3.7875 0.0000 C 0 0 0 0 0 0 0 0 0 1.1125 -1.3167 0.0000 O 0 0 0 0 0 0 0 0 0 2.5042 1.1583 0.0000 N 0 0 0 0 0 0 0 0 0 0.3917 -2.5542 0.0000 N 0 0 0 0 0 0 0 0 0 1.8042 -0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 3.9667 0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 4.6667 -0.9125 0.0000 C 0 0 0 0 0 0 0 0 0 3.9625 -2.1292 0.0000 C 0 0 0 0 0 0 0 0 0 3.9667 -4.6125 0.0000 Br 0 0 0 0 0 0 0 0 0 5.3917 0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 4.6792 0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 5.3875 -0.5042 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3208 -2.1417 0.0000 O 0 0 0 0 0 0 0 0 0 2.5250 0.3375 0.0000 C 0 0 0 0 0 0 0 0 0 6.1167 0.7208 0.0000 O 0 0 0 0 0 0 0 0 0 4.6792 -2.5417 0.0000 C 0 0 0 0 0 0 0 0 0 4.6792 -3.3667 0.0000 C 0 0 0 0 0 0 0 0 0 1.7917 1.5708 0.0000 C 0 0 0 0 0 0 0 0 0 1.0917 0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 6.8250 0.3083 0.0000 C 0 0 0 0 0 0 0 0 0 1.0875 1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 3 2 0 0 0 6 7 2 0 0 0 7 5 1 0 0 0 8 4 1 0 0 0 9 4 2 0 0 0 10 1 1 0 0 0 11 1 2 0 0 0 12 1 2 0 0 0 13 2 1 0 0 0 14 7 1 0 0 0 15 8 2 0 0 0 16 27 2 0 0 0 17 8 1 0 0 0 18 13 1 0 0 0 19 10 1 0 0 0 20 10 2 0 0 0 21 5 1 0 0 0 22 14 1 0 0 0 23 25 2 0 0 0 24 19 2 0 0 0 25 20 1 0 0 0 26 17 1 0 0 0 27 18 1 0 0 0 28 23 1 0 0 0 29 21 2 0 0 0 30 29 1 0 0 0 31 34 2 0 0 0 32 18 2 0 0 0 33 28 1 0 0 0 34 32 1 0 0 0 23 24 1 0 0 0 6 9 1 0 0 0 31 16 1 0 0 0 30 14 2 0 0 0 M END > 9 > 7.18708664335714 $$$$ 11280715242D 1 1.00000 0.00000 0 28 29 0 0 0 999 V2000 5.1042 -3.1500 0.0000 S 0 0 3 0 0 0 0 0 0 4.4042 -2.7500 0.0000 N 0 0 3 0 0 0 0 0 0 3.7000 -3.1500 0.0000 C 0 0 3 0 0 0 0 0 0 2.9875 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 5.8125 -3.5417 0.0000 C 0 0 0 0 0 0 0 0 0 4.3667 -3.8667 0.0000 O 0 0 0 0 0 0 0 0 0 5.7917 -2.4292 0.0000 O 0 0 0 0 0 0 0 0 0 4.4042 -1.9292 0.0000 C 0 0 0 0 0 0 0 0 0 3.7000 -3.9667 0.0000 C 0 0 0 0 0 0 0 0 0 2.2792 -3.1500 0.0000 O 0 0 0 0 0 0 0 0 0 2.9875 -1.9292 0.0000 N 0 0 0 0 0 0 0 0 0 5.8292 -4.3667 0.0000 C 0 0 0 0 0 0 0 0 0 6.5125 -3.1292 0.0000 C 0 0 0 0 0 0 0 0 0 7.2417 -4.3292 0.0000 C 0 0 0 0 0 0 0 0 0 5.1042 -1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 7.2250 -3.5125 0.0000 C 0 0 0 0 0 0 0 0 0 6.5542 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 2.2792 -1.5292 0.0000 O 0 0 0 0 0 0 0 0 0 7.9542 -4.7125 0.0000 O 0 0 0 0 0 0 0 0 0 2.9875 -4.3667 0.0000 C 0 0 3 0 0 0 0 0 0 5.1042 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 5.8042 -1.9292 0.0000 C 0 0 0 0 0 0 0 0 0 7.9792 -5.5292 0.0000 C 0 0 0 0 0 0 0 0 0 2.2917 -3.9667 0.0000 C 0 0 0 0 0 0 0 0 0 2.9875 -5.1917 0.0000 C 0 0 0 0 0 0 0 0 0 5.7917 -0.3042 0.0000 C 0 0 0 0 0 0 0 0 0 6.5167 -1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 6.5167 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 1 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 2 1 0 0 0 9 3 1 0 0 0 10 4 2 0 0 0 11 4 1 0 0 0 12 5 2 0 0 0 13 5 1 0 0 0 14 16 1 0 0 0 15 8 1 0 0 0 16 13 2 0 0 0 17 12 1 0 0 0 18 11 1 0 0 0 19 14 1 0 0 0 20 9 1 0 0 0 21 15 1 0 0 0 22 15 2 0 0 0 23 19 1 0 0 0 24 20 1 0 0 0 25 20 1 0 0 0 26 21 2 0 0 0 27 22 1 0 0 0 28 27 2 0 0 0 17 14 2 0 0 0 26 28 1 0 0 0 M END > 7.88605664769316 > 7.88605664769316 $$$$ 11280715242D 1 1.00000 0.00000 0 35 38 0 0 0 999 V2000 4.8750 -1.1917 0.0000 S 0 0 3 0 0 0 0 0 0 4.8750 -1.7917 0.0000 N 0 0 3 0 0 0 0 0 0 5.3917 -3.8917 0.0000 C 0 0 0 0 0 0 0 0 0 4.3625 -2.0917 0.0000 C 0 0 3 0 0 0 0 0 0 4.8750 -3.5917 0.0000 C 0 0 0 0 0 0 0 0 0 4.8750 -2.9917 0.0000 N 0 0 3 0 0 0 0 0 0 6.0417 -4.6167 0.0000 N 0 0 0 0 0 0 0 0 0 5.4542 -4.4917 0.0000 C 0 0 0 0 0 0 0 0 0 4.3625 -2.6917 0.0000 C 0 0 0 0 0 0 0 0 0 3.8417 -1.7917 0.0000 C 0 0 0 0 0 0 0 0 0 6.3417 -4.0917 0.0000 O 0 0 0 0 0 0 0 0 0 5.9417 -3.6500 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -2.0917 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 4.3250 -0.8125 0.0000 O 0 0 0 0 0 0 0 0 0 5.5875 -1.6042 0.0000 O 0 0 0 0 0 0 0 0 0 5.3917 -2.6917 0.0000 C 0 0 0 0 0 0 0 0 0 4.3542 -3.8917 0.0000 O 0 0 0 0 0 0 0 0 0 5.0125 -4.8917 0.0000 C 0 0 0 0 0 0 0 0 0 3.8375 -1.1917 0.0000 O 0 0 0 0 0 0 0 0 0 3.3167 -2.0917 0.0000 N 0 0 0 0 0 0 0 0 0 5.3917 -0.2917 0.0000 C 0 0 0 0 0 0 0 0 0 5.9125 -1.1917 0.0000 C 0 0 0 0 0 0 0 0 0 6.4292 -0.2917 0.0000 C 0 0 0 0 0 0 0 0 0 6.4292 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 5.9042 0.0083 0.0000 C 0 0 0 0 0 0 0 0 0 2.8000 -1.7917 0.0000 O 0 0 0 0 0 0 0 0 0 6.9500 0.0083 0.0000 O 0 0 0 0 0 0 0 0 0 6.0667 -3.0625 0.0000 C 0 0 0 0 0 0 0 0 0 5.1375 -5.4750 0.0000 C 0 0 0 0 0 0 0 0 0 4.4417 -4.7042 0.0000 C 0 0 0 0 0 0 0 0 0 7.4667 -0.2875 0.0000 C 0 0 0 0 0 0 0 0 0 3.9917 -5.1042 0.0000 C 0 0 0 0 0 0 0 0 0 4.6917 -5.8750 0.0000 C 0 0 0 0 0 0 0 0 0 4.1167 -5.6917 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 5 1 0 0 0 4 2 1 0 0 0 5 6 1 0 0 0 6 17 1 0 0 0 7 8 2 0 0 0 8 3 1 0 0 0 9 4 1 0 0 0 10 4 1 0 0 0 11 12 1 0 0 0 12 3 2 0 0 0 13 2 1 0 0 0 14 1 1 0 0 0 15 1 2 0 0 0 16 1 2 0 0 0 17 13 1 0 0 0 18 5 2 0 0 0 19 8 1 0 0 0 20 10 2 0 0 0 21 10 1 0 0 0 22 14 1 0 0 0 23 14 2 0 0 0 24 25 2 0 0 0 25 23 1 0 0 0 26 22 2 0 0 0 27 21 1 0 0 0 28 24 1 0 0 0 29 12 1 0 0 0 30 19 1 0 0 0 31 19 2 0 0 0 32 28 1 0 0 0 33 31 1 0 0 0 34 30 2 0 0 0 35 33 2 0 0 0 24 26 1 0 0 0 6 9 1 0 0 0 11 7 1 0 0 0 35 34 1 0 0 0 M END > 7.56863623584101 > 5.87942606879415 $$$$ CDK 9/16/09,10:8 34 36 0 0 0 0 0 0 0 0999 V2000 2.4483 -19.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4568 -20.5405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1722 -20.9471 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8832 -20.5300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8747 -19.7062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1593 -19.2912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1766 -21.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4660 -22.1902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8956 -22.1796 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1549 -18.4674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4358 -18.0587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4314 -17.2308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5827 -18.4557 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.9936 -17.7379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1716 -19.1735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3003 -18.8666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8127 -17.6469 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.9818 -16.8372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2640 -16.4262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6514 -16.9819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7107 -16.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4047 -16.9031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4754 -15.2570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7472 -15.6374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1742 -15.7013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1385 -16.5246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9048 -15.3206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5998 -15.7629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6062 -21.7628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3174 -21.3446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0234 -22.4732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1880 -21.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8654 -18.0481 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7210 -18.4739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13 16 2 0 0 0 0 14 17 1 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 14 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 21 22 2 0 0 0 0 22 26 1 0 0 0 0 5 6 1 0 0 0 0 25 23 1 0 0 0 0 3 7 1 0 0 0 0 23 24 2 0 0 0 0 24 21 1 0 0 0 0 18 21 1 0 0 0 0 25 26 2 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 6 1 6 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 10 11 1 0 0 0 0 9 29 1 0 0 0 0 11 12 2 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 32 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 10 33 1 0 0 0 0 33 13 1 0 0 0 0 11 34 1 0 0 0 0 M END > 8.85387196432176 > 5.88941028970075 $$$$ 11280715052D 1 1.00000 0.00000 0 36 39 0 0 0 999 V2000 4.6875 -6.2542 0.0000 S 0 0 3 0 0 0 0 0 0 3.8625 -6.2250 0.0000 N 0 0 3 0 0 0 0 0 0 2.5917 -6.8917 0.0000 C 0 0 0 0 0 0 0 0 0 3.4250 -6.9250 0.0000 C 0 0 0 0 0 0 0 0 0 3.8042 -7.6542 0.0000 C 0 0 0 0 0 0 0 0 0 2.2042 -6.1625 0.0000 C 0 0 0 0 0 0 0 0 0 5.5125 -6.2542 0.0000 C 0 0 0 0 0 0 0 0 0 5.1250 -5.5542 0.0000 O 0 0 0 0 0 0 0 0 0 5.0667 -6.9875 0.0000 O 0 0 0 0 0 0 0 0 0 2.1542 -7.5917 0.0000 C 0 0 0 0 0 0 0 0 0 3.4792 -5.4917 0.0000 C 0 0 0 0 0 0 0 0 0 3.3667 -8.3542 0.0000 C 0 0 0 0 0 0 0 0 0 2.6542 -5.4625 0.0000 O 0 0 0 0 0 0 0 0 0 2.5417 -8.3167 0.0000 C 0 0 0 0 0 0 0 0 0 1.3792 -6.1292 0.0000 N 0 0 0 0 0 0 0 0 0 5.9167 -6.9667 0.0000 C 0 0 0 0 0 0 0 0 0 5.9167 -5.5417 0.0000 C 0 0 0 0 0 0 0 0 0 7.9792 -6.2500 0.0000 O 0 0 0 0 0 0 0 0 0 7.1542 -6.2542 0.0000 C 0 0 0 0 0 0 0 0 0 3.9167 -4.8000 0.0000 C 0 0 0 0 0 0 0 0 0 6.7375 -5.5417 0.0000 C 0 0 0 0 0 0 0 0 0 6.7417 -6.9667 0.0000 C 0 0 0 0 0 0 0 0 0 8.3917 -6.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0.9417 -6.8292 0.0000 O 0 0 0 0 0 0 0 0 0 4.6292 -7.6917 0.0000 C 0 0 0 0 0 0 0 0 0 2.1000 -9.0167 0.0000 C 0 0 0 0 0 0 0 0 0 4.7417 -4.8292 0.0000 C 0 0 0 0 0 0 0 0 0 3.5292 -4.0667 0.0000 C 0 0 0 0 0 0 0 0 0 7.9792 -7.6792 0.0000 C 0 0 0 0 0 0 0 0 0 9.2125 -6.9542 0.0000 C 0 0 0 0 0 0 0 0 0 3.9667 -3.3750 0.0000 C 0 0 0 0 0 0 0 0 0 8.3917 -8.3917 0.0000 C 0 0 0 0 0 0 0 0 0 9.6292 -7.6667 0.0000 C 0 0 0 0 0 0 0 0 0 5.1792 -4.1292 0.0000 C 0 0 0 0 0 0 0 0 0 4.8000 -3.4042 0.0000 C 0 0 0 0 0 0 0 0 0 9.2167 -8.3917 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 4 1 0 0 0 4 2 1 0 0 0 5 4 2 0 0 0 6 3 1 0 0 0 7 1 1 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 3 2 0 0 0 11 2 1 0 0 0 12 5 1 0 0 0 13 6 2 0 0 0 14 12 2 0 0 0 15 6 1 0 0 0 16 7 2 0 0 0 17 7 1 0 0 0 18 19 1 0 0 0 19 21 1 0 0 0 20 11 1 0 0 0 21 17 2 0 0 0 22 16 1 0 0 0 23 18 1 0 0 0 24 15 1 0 0 0 25 5 1 0 0 0 26 14 1 0 0 0 27 20 2 0 0 0 28 20 1 0 0 0 29 23 2 0 0 0 30 23 1 0 0 0 31 28 2 0 0 0 32 29 1 0 0 0 33 30 2 0 0 0 34 27 1 0 0 0 35 31 1 0 0 0 36 33 1 0 0 0 22 19 2 0 0 0 10 14 1 0 0 0 34 35 2 0 0 0 32 36 2 0 0 0 M END > 8.22184874961636 > 6.42481215507234 $$$$ SciTegic01161211252D 29 31 0 0 0 0 999 V2000 4.3340 -4.5242 0.0000 C 0 0 3.6124 -4.9300 0.0000 C 0 0 3.6097 -5.7532 0.0000 C 0 0 4.3165 -6.1716 0.0000 N 0 0 5.0328 -5.7659 0.0000 C 0 0 5.0382 -4.9353 0.0000 C 0 0 5.7604 -4.5241 0.0000 C 0 0 5.7588 -5.3540 0.0000 C 0 0 6.4735 -5.7685 0.0000 C 0 0 7.1905 -5.3532 0.0000 C 0 0 7.1903 -4.5229 0.0000 C 0 0 6.4708 -4.1095 0.0000 C 0 0 7.9021 -5.7712 0.0000 S 0 0 5.0462 -4.1101 0.0000 S 0 0 3.6201 -4.1107 0.0000 C 0 0 3.6198 -3.2844 0.0000 O 0 0 4.4615 -3.5264 0.0000 O 0 0 5.6287 -3.5264 0.0000 O 0 0 4.3165 -6.9978 0.0000 C 0 0 8.6176 -5.3611 0.0000 C 0 0 9.3254 -5.7793 0.0000 C 0 0 10.0359 -5.3742 0.0000 C 0 0 10.0435 -4.5529 0.0000 C 0 0 9.3274 -4.1391 0.0000 C 0 0 8.6213 -4.5478 0.0000 C 0 0 5.0303 -7.4067 0.0000 C 0 0 5.7437 -7.8219 0.0000 C 0 0 2.9066 -4.5249 0.0000 N 0 0 2.1928 -4.1113 0.0000 O 0 0 1 2 1 0 1 15 1 0 7 8 2 0 1 6 1 0 15 16 2 0 8 9 1 0 2 3 1 0 14 17 2 0 9 10 2 0 14 18 2 0 3 4 1 0 4 19 1 0 10 11 1 0 13 20 1 0 4 5 1 0 20 21 2 0 11 12 2 0 21 22 1 0 12 7 1 0 22 23 2 0 5 6 1 0 23 24 1 0 10 13 1 0 24 25 2 0 25 20 1 0 19 26 1 0 7 14 1 0 26 27 3 0 14 1 1 0 15 28 1 0 28 29 1 0 M END > 9.39794000867204 > 5.06248210798265 $$$$ 11280714452D 1 1.00000 0.00000 0 32 34 0 0 0 999 V2000 3.7167 -4.1542 0.0000 S 0 0 3 0 0 0 0 0 0 3.7167 -4.9792 0.0000 N 0 0 0 0 0 0 0 0 0 3.0042 -5.3917 0.0000 C 0 0 3 0 0 0 0 0 0 2.2917 -4.9792 0.0000 C 0 0 0 0 0 0 0 0 0 4.4292 -3.7417 0.0000 C 0 0 0 0 0 0 0 0 0 3.7167 -6.6292 0.0000 C 0 0 0 0 0 0 0 0 0 4.4292 -7.0375 0.0000 C 0 0 0 0 0 0 0 0 0 3.5042 -3.3500 0.0000 O 0 0 0 0 0 0 0 0 0 2.9167 -4.3625 0.0000 O 0 0 0 0 0 0 0 0 0 5.8625 -2.9167 0.0000 C 0 0 0 0 0 0 0 0 0 6.5792 -2.5042 0.0000 C 0 0 0 0 0 0 0 0 0 2.2917 -4.1542 0.0000 O 0 0 0 0 0 0 0 0 0 4.4292 -2.9167 0.0000 C 0 0 0 0 0 0 0 0 0 5.1500 -4.1542 0.0000 C 0 0 0 0 0 0 0 0 0 5.8625 -3.7417 0.0000 C 0 0 0 0 0 0 0 0 0 5.1417 -2.5042 0.0000 C 0 0 0 0 0 0 0 0 0 7.2917 -2.9167 0.0000 C 0 0 0 0 0 0 0 0 0 6.5750 -1.6792 0.0000 C 0 0 0 0 0 0 0 0 0 3.0042 -6.2167 0.0000 C 0 0 0 0 0 0 0 0 0 1.5792 -5.3917 0.0000 O 0 0 0 0 0 0 0 0 0 8.0042 -1.6792 0.0000 C 0 0 0 0 0 0 0 0 0 7.2792 -1.2667 0.0000 C 0 0 0 0 0 0 0 0 0 8.0042 -2.5042 0.0000 C 0 0 0 0 0 0 0 0 0 5.1417 -7.4500 0.0000 C 0 0 0 0 0 0 0 0 0 8.7167 -1.2667 0.0000 O 0 0 0 0 0 0 0 0 0 5.8542 -7.0375 0.0000 C 0 0 0 0 0 0 0 0 0 9.4292 -1.6750 0.0000 C 0 0 0 0 0 0 0 0 0 6.5542 -7.4500 0.0000 C 0 0 0 0 0 0 0 0 0 5.8417 -6.2167 0.0000 C 0 0 0 0 0 0 0 0 0 6.5542 -5.8125 0.0000 C 0 0 0 0 0 0 0 0 0 7.2667 -7.0375 0.0000 C 0 0 0 0 0 0 0 0 0 7.2667 -6.2167 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 1 1 0 0 0 6 19 1 0 0 0 7 6 3 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 15 2 0 0 0 11 10 1 0 0 0 12 4 2 0 0 0 13 5 1 0 0 0 14 5 2 0 0 0 15 14 1 0 0 0 16 13 2 0 0 0 17 11 2 0 0 0 18 11 1 0 0 0 19 3 1 0 0 0 20 4 1 0 0 0 21 22 1 0 0 0 22 18 2 0 0 0 23 17 1 0 0 0 24 7 1 0 0 0 25 21 1 0 0 0 26 24 1 0 0 0 27 25 1 0 0 0 28 26 2 0 0 0 29 26 1 0 0 0 30 29 2 0 0 0 31 28 1 0 0 0 32 30 1 0 0 0 10 16 1 0 0 0 23 21 2 0 0 0 31 32 2 0 0 0 M END > 7.66 > 5.47625353318844 $$$$ 11280715142D 1 1.00000 0.00000 0 23 23 0 1 0 999 V2000 4.6125 -0.2542 0.0000 S 0 0 3 0 0 0 0 0 0 3.8917 -0.6792 0.0000 N 0 0 0 0 0 0 0 0 0 3.9042 -1.5042 0.0000 C 0 0 1 0 0 0 0 0 0 3.1917 -1.9250 0.0000 C 0 0 0 0 0 0 0 0 0 5.3292 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 8.1917 2.6625 0.0000 C 0 0 0 0 0 0 0 0 0 8.9125 3.0833 0.0000 C 0 0 0 0 0 0 0 0 0 5.0375 -0.9750 0.0000 O 0 0 0 0 0 0 0 0 0 4.1875 0.4708 0.0000 O 0 0 0 0 0 0 0 0 0 3.2042 -2.7542 0.0000 O 0 0 0 0 0 0 0 0 0 2.4750 -1.5167 0.0000 N 0 0 0 0 0 0 0 0 0 4.6250 -1.9167 0.0000 C 0 0 3 0 0 0 0 0 0 6.0417 -0.2417 0.0000 C 0 0 0 0 0 0 0 0 0 5.3292 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 6.7625 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 6.0417 1.4125 0.0000 C 0 0 0 0 0 0 0 0 0 6.7625 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 1.7625 -1.9292 0.0000 O 0 0 0 0 0 0 0 0 0 7.4792 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 7.4792 1.4208 0.0000 O 0 0 0 0 0 0 0 0 0 9.6292 3.4958 0.0000 C 0 0 0 0 0 0 0 0 0 4.6250 -2.7417 0.0000 C 0 0 0 0 0 0 0 0 0 5.3375 -1.5042 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 1 1 0 0 0 6 19 1 0 0 0 7 6 3 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 4 2 0 0 0 11 4 1 0 0 0 3 12 1 6 0 0 13 5 1 0 0 0 14 5 2 0 0 0 15 16 2 0 0 0 16 14 1 0 0 0 17 13 2 0 0 0 18 11 1 0 0 0 19 20 1 0 0 0 20 15 1 0 0 0 21 7 1 0 0 0 22 12 1 0 0 0 23 12 1 0 0 0 15 17 1 0 0 0 M END > 7.74472749489669 > 5.52797530229972 $$$$ 11280715072D 1 1.00000 0.00000 0 40 42 0 1 0 999 V2000 5.3792 -2.5917 0.0000 N 0 0 0 0 0 0 0 0 0 4.6667 -3.0125 0.0000 C 0 0 0 0 0 0 0 0 0 2.5250 -2.6125 0.0000 P 0 0 3 0 0 0 0 0 0 3.9500 -2.6042 0.0000 C 0 0 3 0 0 0 0 0 0 6.0917 -3.0042 0.0000 C 0 0 2 0 0 0 0 0 0 6.8042 -2.5875 0.0000 C 0 0 0 0 0 0 0 0 0 3.2375 -3.0167 0.0000 C 0 0 0 0 0 0 0 0 0 6.1000 -3.8292 0.0000 C 0 0 3 0 0 0 0 0 0 -1.7625 -1.8042 0.0000 C 0 0 0 0 0 0 0 0 0 2.5167 -1.7875 0.0000 O 0 0 0 0 0 0 0 0 0 4.6667 -3.8375 0.0000 O 0 0 0 0 0 0 0 0 0 -1.0500 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 3.9417 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 6.8042 -1.7625 0.0000 O 0 0 0 0 0 0 0 0 0 1.8125 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4833 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 7.5250 -3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 2.5167 -3.4375 0.0000 O 0 0 0 0 0 0 0 0 0 -0.3333 -1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 1.0917 -2.6167 0.0000 C 0 0 0 0 0 0 0 0 0 4.6542 -1.3625 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3333 -2.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0.3667 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 1.0875 -1.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0.3792 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 4.6542 -0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 5.2750 -3.8250 0.0000 C 0 0 0 0 0 0 0 0 0 6.9250 -3.8292 0.0000 C 0 0 0 0 0 0 0 0 0 6.1125 -4.6542 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7625 -2.6375 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4833 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 -3.1958 -1.8125 0.0000 C 0 0 0 0 0 0 0 0 0 8.2375 -2.5792 0.0000 C 0 0 0 0 0 0 0 0 0 3.9417 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 5.3667 -0.1250 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4833 -3.0500 0.0000 C 0 0 0 0 0 0 0 0 0 -3.1958 -2.6375 0.0000 C 0 0 0 0 0 0 0 0 0 5.3625 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 3.9292 0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 4.6417 1.1083 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 7 1 0 0 0 4 2 1 0 0 0 5 1 1 0 0 0 6 5 1 0 0 0 7 4 1 0 0 0 5 8 1 6 0 0 9 12 1 0 0 0 10 3 2 0 0 0 11 2 2 0 0 0 12 19 1 0 0 0 4 13 1 0 0 0 14 6 2 0 0 0 15 3 1 0 0 0 16 9 2 0 0 0 17 6 1 0 0 0 18 3 1 0 0 0 19 22 2 0 0 0 20 15 1 0 0 0 21 13 1 0 0 0 22 25 1 0 0 0 23 24 2 0 0 0 24 20 1 0 0 0 25 20 2 0 0 0 26 21 1 0 0 0 27 8 1 0 0 0 28 8 1 0 0 0 29 8 1 0 0 0 30 9 1 0 0 0 31 16 1 0 0 0 32 16 1 0 0 0 33 17 1 0 0 0 34 26 1 0 0 0 35 26 2 0 0 0 36 30 2 0 0 0 37 36 1 0 0 0 38 35 1 0 0 0 39 34 2 0 0 0 40 38 2 0 0 0 40 39 1 0 0 0 19 23 1 0 0 0 37 32 2 0 0 0 M END > 7.61978875828839 > 5.95860731484178 $$$$ SciTegic04151115542D 19 19 0 0 0 0 999 V2000 13.5152 -10.4458 0.0000 C 0 0 13.5141 -11.2732 0.0000 C 0 0 14.2289 -11.6860 0.0000 C 0 0 14.9453 -11.2727 0.0000 C 0 0 14.9425 -10.4422 0.0000 C 0 0 14.2271 -10.0330 0.0000 C 0 0 14.2246 -9.2080 0.0000 S 0 0 13.5089 -8.7977 0.0000 N 0 0 14.7583 -8.6000 0.0000 O 0 0 14.9333 -9.6167 0.0000 O 0 0 13.5065 -7.9727 0.0000 C 0 0 12.7957 -9.2123 0.0000 C 0 0 14.2197 -7.5580 0.0000 C 0 0 12.0800 -8.8019 0.0000 C 0 0 11.3668 -9.2166 0.0000 N 0 0 12.0775 -7.9769 0.0000 O 0 0 10.6511 -8.8062 0.0000 O 0 0 14.2172 -6.7330 0.0000 O 0 0 14.2287 -12.5110 0.0000 F 0 0 4 5 1 0 7 10 2 0 2 3 1 0 8 11 1 0 5 6 2 0 8 12 1 0 6 1 1 0 11 13 1 0 1 2 2 0 12 14 1 0 6 7 1 0 14 15 1 0 3 4 2 0 14 16 2 0 7 8 1 0 15 17 1 0 13 18 1 0 7 9 2 0 3 19 1 0 M END > 7.33724216831843 > 6.82102305270683 $$$$ 11280715442D 1 1.00000 0.00000 0 28 30 0 1 0 999 V2000 -0.7458 1.0208 0.0000 S 0 0 3 0 0 0 0 0 0 -0.7333 1.8375 0.0000 C 0 0 1 0 0 0 0 0 0 -0.0208 2.2458 0.0000 C 0 0 2 0 0 0 0 0 0 0.6917 1.8250 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7458 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5708 1.0208 0.0000 O 0 0 0 0 0 0 0 0 0 0.0792 1.0208 0.0000 O 0 0 0 0 0 0 0 0 0 0.6792 1.0083 0.0000 O 0 0 0 0 0 0 0 0 0 1.4042 2.2250 0.0000 N 0 0 0 0 0 0 0 0 0 0.5667 2.8333 0.0000 O 0 0 0 0 0 0 0 0 0 -1.4458 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0083 3.0625 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7208 3.4875 0.0000 O 0 0 0 0 0 0 0 0 0 -0.7458 -2.2792 0.0000 O 0 0 0 0 0 0 0 0 0 -0.0208 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 -1.4583 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7458 -1.4542 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0208 -2.6917 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0333 -1.0542 0.0000 C 0 0 0 0 0 0 0 0 0 -1.4583 -1.0417 0.0000 C 0 0 0 0 0 0 0 0 0 1.4042 -3.5167 0.0000 C 0 0 0 0 0 0 0 0 0 2.1167 1.8125 0.0000 O 0 0 0 0 0 0 0 0 0 0.6792 -2.2792 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0333 -3.5167 0.0000 C 0 0 0 0 0 0 0 0 0 1.3917 -2.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0.6792 -3.9292 0.0000 C 0 0 0 0 0 0 0 0 0 -1.4458 3.0833 0.0000 C 0 0 0 0 0 0 0 0 0 2.1167 -3.9292 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 6 0 0 3 2 1 0 0 0 3 4 1 6 0 0 5 1 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 4 2 0 0 0 9 4 1 0 0 0 3 10 1 1 0 0 11 2 1 0 0 0 12 3 1 0 0 0 13 27 1 0 0 0 14 17 1 0 0 0 15 5 2 0 0 0 16 5 1 0 0 0 17 20 1 0 0 0 18 14 1 0 0 0 19 15 1 0 0 0 20 16 2 0 0 0 21 26 2 0 0 0 22 9 1 0 0 0 23 18 1 0 0 0 24 18 2 0 0 0 25 23 2 0 0 0 26 24 1 0 0 0 27 11 1 0 0 0 28 21 1 0 0 0 19 17 2 0 0 0 12 13 1 0 0 0 25 21 1 0 0 0 M END > 9 > 6.92081875395237 $$$$ 11280714502D 1 1.00000 0.00000 0 38 40 0 1 0 999 V2000 3.6750 -3.1500 0.0000 C 0 0 0 0 0 0 0 0 0 4.4042 -2.7667 0.0000 N 0 0 0 0 0 0 0 0 0 1.5292 -2.7500 0.0000 P 0 0 3 0 0 0 0 0 0 2.9542 -2.7500 0.0000 C 0 0 3 0 0 0 0 0 0 5.1250 -3.2167 0.0000 C 0 0 1 0 0 0 0 0 0 4.9542 -4.0167 0.0000 C 0 0 0 0 0 0 0 0 0 2.2500 -3.1625 0.0000 C 0 0 0 0 0 0 0 0 0 5.9167 -2.9625 0.0000 C 0 0 3 0 0 0 0 0 0 2.9542 -1.9250 0.0000 C 0 0 0 0 0 0 0 0 0 1.5250 -1.9250 0.0000 O 0 0 0 0 0 0 0 0 0 3.6750 -3.9750 0.0000 O 0 0 0 0 0 0 0 0 0 4.1625 -4.2667 0.0000 O 0 0 0 0 0 0 0 0 0 0.8042 -3.1667 0.0000 C 0 0 0 0 0 0 0 0 0 5.5542 -4.5792 0.0000 N 0 0 0 0 0 0 0 0 0 1.5250 -3.5625 0.0000 O 0 0 0 0 0 0 0 0 0 0.1000 -2.7542 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3250 -1.9250 0.0000 C 0 0 0 0 0 0 0 0 0 -2.0458 -1.5167 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6208 -1.5125 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6208 -3.1667 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3250 -2.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0.1000 -1.9250 0.0000 C 0 0 0 0 0 0 0 0 0 -2.0458 -0.6917 0.0000 C 0 0 0 0 0 0 0 0 0 2.5417 -1.2042 0.0000 C 0 0 3 0 0 0 0 0 0 5.9417 -2.1375 0.0000 C 0 0 0 0 0 0 0 0 0 6.5667 -3.4542 0.0000 C 0 0 0 0 0 0 0 0 0 6.6167 -2.5500 0.0000 C 0 0 0 0 0 0 0 0 0 6.3417 -4.3167 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3208 -0.2750 0.0000 C 0 0 0 0 0 0 0 0 0 -2.7583 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 2.9542 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 1.7042 -1.2042 0.0000 C 0 0 0 0 0 0 0 0 0 -2.7458 0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3208 0.5458 0.0000 C 0 0 0 0 0 0 0 0 0 1.2917 -0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 2.5292 0.2375 0.0000 C 0 0 0 0 0 0 0 0 0 -2.0333 0.9625 0.0000 C 0 0 0 0 0 0 0 0 0 1.7042 0.2375 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 7 1 0 0 0 4 1 1 0 0 0 5 2 1 0 0 0 6 5 1 0 0 0 7 4 1 0 0 0 5 8 1 6 0 0 4 9 1 0 0 0 10 3 2 0 0 0 11 1 2 0 0 0 12 6 2 0 0 0 13 3 1 0 0 0 14 6 1 0 0 0 15 3 1 0 0 0 16 13 1 0 0 0 17 19 1 0 0 0 18 17 1 0 0 0 19 22 2 0 0 0 20 16 2 0 0 0 21 20 1 0 0 0 22 16 1 0 0 0 23 18 1 0 0 0 24 9 1 0 0 0 25 8 1 0 0 0 26 8 1 0 0 0 27 8 1 0 0 0 28 14 1 0 0 0 29 23 1 0 0 0 30 23 2 0 0 0 31 24 1 0 0 0 32 24 1 0 0 0 33 30 1 0 0 0 34 29 2 0 0 0 35 32 1 0 0 0 36 31 1 0 0 0 37 33 2 0 0 0 38 35 1 0 0 0 36 38 1 0 0 0 17 21 2 0 0 0 34 37 1 0 0 0 M END > 5.79588001734407 > 5.74472749489669 $$$$ 11280715152D 1 1.00000 0.00000 0 30 32 0 0 0 999 V2000 6.6750 -5.7167 0.0000 S 0 0 3 0 0 0 0 0 0 6.3792 -6.5000 0.0000 N 0 0 3 0 0 0 0 0 0 5.3417 -8.0292 0.0000 N 0 0 3 0 0 0 0 0 0 5.5667 -6.5625 0.0000 C 0 0 3 0 0 0 0 0 0 4.7292 -8.5792 0.0000 S 0 0 3 0 0 0 0 0 0 5.1042 -7.2417 0.0000 C 0 0 0 0 0 0 0 0 0 6.9500 -7.1000 0.0000 C 0 0 0 0 0 0 0 0 0 6.1167 -8.3292 0.0000 C 0 0 0 0 0 0 0 0 0 5.1542 -5.8375 0.0000 C 0 0 0 0 0 0 0 0 0 6.8292 -7.9167 0.0000 C 0 0 0 0 0 0 0 0 0 6.9625 -4.9375 0.0000 C 0 0 0 0 0 0 0 0 0 6.1417 -4.9917 0.0000 O 0 0 0 0 0 0 0 0 0 7.5125 -5.6167 0.0000 O 0 0 0 0 0 0 0 0 0 4.1792 -7.9667 0.0000 O 0 0 0 0 0 0 0 0 0 4.1167 -9.1375 0.0000 O 0 0 0 0 0 0 0 0 0 5.5792 -5.1167 0.0000 O 0 0 0 0 0 0 0 0 0 4.3292 -5.8292 0.0000 N 0 0 0 0 0 0 0 0 0 7.7667 -4.8000 0.0000 C 0 0 0 0 0 0 0 0 0 6.4292 -4.3042 0.0000 C 0 0 0 0 0 0 0 0 0 5.2875 -9.1917 0.0000 C 0 0 0 0 0 0 0 0 0 7.5292 -3.3917 0.0000 C 0 0 0 0 0 0 0 0 0 8.0542 -4.0292 0.0000 C 0 0 0 0 0 0 0 0 0 6.7167 -3.5292 0.0000 C 0 0 0 0 0 0 0 0 0 3.9167 -5.1167 0.0000 O 0 0 0 0 0 0 0 0 0 7.5417 -8.3292 0.0000 C 0 0 0 0 0 0 0 0 0 6.1167 -9.1625 0.0000 C 0 0 0 0 0 0 0 0 0 7.8125 -2.6042 0.0000 O 0 0 0 0 0 0 0 0 0 7.2792 -1.9750 0.0000 C 0 0 0 0 0 0 0 0 0 7.5417 -9.1625 0.0000 C 0 0 0 0 0 0 0 0 0 6.8292 -9.5750 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 6 1 0 0 0 4 2 1 0 0 0 5 3 1 0 0 0 6 4 1 0 0 0 7 2 1 0 0 0 8 10 1 0 0 0 9 4 1 0 0 0 10 7 1 0 0 0 11 1 1 0 0 0 12 1 2 0 0 0 13 1 2 0 0 0 14 5 2 0 0 0 15 5 2 0 0 0 16 9 2 0 0 0 17 9 1 0 0 0 18 11 2 0 0 0 19 11 1 0 0 0 20 5 1 0 0 0 21 23 1 0 0 0 22 18 1 0 0 0 23 19 2 0 0 0 24 17 1 0 0 0 25 10 2 0 0 0 26 8 2 0 0 0 27 21 1 0 0 0 28 27 1 0 0 0 29 25 1 0 0 0 30 29 2 0 0 0 21 22 2 0 0 0 3 8 1 0 0 0 30 26 1 0 0 0 M END > 8.52287874528034 > 6.80410034759077 $$$$ 11280715202D 1 1.00000 0.00000 0 33 35 0 1 0 999 V2000 1.7542 -1.2625 0.0000 S 0 0 3 0 0 0 0 0 0 1.7542 -0.4375 0.0000 N 0 0 3 0 0 0 0 0 0 2.4667 -0.0167 0.0000 C 0 0 2 0 0 0 0 0 0 1.7417 1.2208 0.0000 N 0 0 3 0 0 0 0 0 0 2.4625 0.8083 0.0000 C 0 0 1 0 0 0 0 0 0 3.1792 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 1.0292 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 1.7375 2.0458 0.0000 C 0 0 0 0 0 0 0 0 0 1.0250 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 1.7625 -2.0875 0.0000 C 0 0 0 0 0 0 0 0 0 2.4750 -0.8500 0.0000 O 0 0 0 0 0 0 0 0 0 1.0417 -0.8542 0.0000 O 0 0 0 0 0 0 0 0 0 3.1917 -4.5625 0.0000 C 0 0 0 0 0 0 0 0 0 3.1917 -1.2417 0.0000 O 0 0 0 0 0 0 0 0 0 3.9000 -4.9792 0.0000 C 0 0 0 0 0 0 0 0 0 2.4417 2.4625 0.0000 O 0 0 0 0 0 0 0 0 0 3.1875 -3.7417 0.0000 C 0 0 0 0 0 0 0 0 0 3.9000 -0.0042 0.0000 N 0 0 0 0 0 0 0 0 0 2.4750 -4.9750 0.0000 C 0 0 0 0 0 0 0 0 0 2.4792 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 1.0500 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 4.6167 -4.5667 0.0000 C 0 0 0 0 0 0 0 0 0 1.7625 -4.5625 0.0000 O 0 0 0 0 0 0 0 0 0 3.8917 -3.3292 0.0000 C 0 0 0 0 0 0 0 0 0 1.7625 -3.7417 0.0000 C 0 0 0 0 0 0 0 0 0 3.1750 1.2250 0.0000 C 0 0 0 0 0 0 0 0 0 4.6167 -3.7417 0.0000 C 0 0 0 0 0 0 0 0 0 2.4792 -3.3292 0.0000 C 0 0 0 0 0 0 0 0 0 1.0500 -3.3292 0.0000 C 0 0 0 0 0 0 0 0 0 3.8917 -2.5042 0.0000 F 0 0 0 0 0 0 0 0 0 4.6167 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 1.0167 2.4583 0.0000 C 0 0 0 0 0 0 0 0 0 3.9000 -5.8042 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 9 1 0 0 0 5 3 1 0 0 0 3 6 1 6 0 0 7 2 1 0 0 0 8 4 1 0 0 0 9 7 1 0 0 0 10 1 1 0 0 0 11 1 2 0 0 0 12 1 2 0 0 0 13 19 1 0 0 0 14 6 2 0 0 0 15 13 2 0 0 0 16 8 2 0 0 0 17 13 1 0 0 0 18 6 1 0 0 0 19 23 1 0 0 0 20 10 2 0 0 0 21 10 1 0 0 0 22 15 1 0 0 0 23 25 1 0 0 0 24 17 2 0 0 0 25 29 1 0 0 0 5 26 1 1 0 0 27 24 1 0 0 0 28 20 1 0 0 0 29 21 2 0 0 0 30 24 1 0 0 0 31 18 1 0 0 0 32 8 1 0 0 0 33 15 1 0 0 0 25 28 2 0 0 0 5 4 1 0 0 0 22 27 2 0 0 0 M END > 8.15490195998574 > 5.72124639904717 $$$$ 11280715212D 1 1.00000 0.00000 0 31 34 0 0 0 999 V2000 -1.5625 1.5625 0.0000 S 0 0 3 0 0 0 0 0 0 -2.9958 1.5750 0.0000 C 0 0 3 0 0 0 0 0 0 -2.2833 1.9875 0.0000 N 0 0 0 0 0 0 0 0 0 -3.7125 1.9875 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8458 1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 1.3000 -0.9292 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1375 2.2833 0.0000 O 0 0 0 0 0 0 0 0 0 -1.9875 0.8458 0.0000 O 0 0 0 0 0 0 0 0 0 1.3042 -0.1042 0.0000 O 0 0 0 0 0 0 0 0 0 2.0167 -1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 -3.7125 2.8208 0.0000 O 0 0 0 0 0 0 0 0 0 -4.4250 1.5750 0.0000 N 0 0 0 0 0 0 0 0 0 -2.2833 1.1583 0.0000 C 0 0 0 0 0 0 0 0 0 -3.7208 1.1583 0.0000 C 0 0 0 0 0 0 0 0 0 -3.0000 -0.0875 0.0000 O 0 0 0 0 0 0 0 0 0 -0.8458 0.3083 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1333 1.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0.5875 0.3083 0.0000 C 0 0 0 0 0 0 0 0 0 2.0167 -2.1667 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1333 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0.5875 1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 -4.4250 0.7458 0.0000 O 0 0 0 0 0 0 0 0 0 0.5792 -1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 -3.7208 0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 -2.2833 0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0.5792 -2.1667 0.0000 C 0 0 0 0 0 0 0 0 0 2.7250 -0.9292 0.0000 C 0 0 0 0 0 0 0 0 0 1.2917 -2.5875 0.0000 C 0 0 0 0 0 0 0 0 0 2.7292 -2.5792 0.0000 C 0 0 0 0 0 0 0 0 0 3.4417 -1.3375 0.0000 C 0 0 0 0 0 0 0 0 0 3.4417 -2.1667 0.0000 C 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 3 1 1 0 0 0 4 2 1 0 0 0 5 1 1 0 0 0 6 9 1 0 0 0 7 1 2 0 0 0 8 1 2 0 0 0 9 18 1 0 0 0 10 6 1 0 0 0 11 4 2 0 0 0 12 4 1 0 0 0 13 2 1 0 0 0 14 2 1 0 0 0 15 24 1 0 0 0 16 5 2 0 0 0 17 5 1 0 0 0 18 21 1 0 0 0 19 10 1 0 0 0 20 16 1 0 0 0 21 17 2 0 0 0 22 12 1 0 0 0 23 6 2 0 0 0 24 14 1 0 0 0 25 13 1 0 0 0 26 23 1 0 0 0 27 10 2 0 0 0 28 26 2 0 0 0 29 19 2 0 0 0 30 27 1 0 0 0 31 30 2 0 0 0 18 20 2 0 0 0 15 25 1 0 0 0 28 19 1 0 0 0 31 29 1 0 0 0 M END > 6.67778070526608 > 5.30980391997149 $$$$ CDK 9/16/09,10:8 31 33 0 0 0 0 0 0 0 0999 V2000 10.7918 -13.0359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8004 -13.8597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5157 -14.2663 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.2269 -13.8492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2184 -13.0253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5028 -12.6102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5201 -15.0903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8095 -15.5095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2392 -15.4989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4984 -11.7863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7793 -11.3777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7749 -10.5496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9262 -11.7747 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.3372 -11.0569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5151 -12.4926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6440 -12.1858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3255 -10.1562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6076 -9.7451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9950 -10.3009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0546 -9.7759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7486 -10.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8194 -8.5757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0910 -8.9562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5182 -9.0201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4824 -9.8434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9500 -15.0822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6663 -15.4892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9444 -14.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2089 -11.3671 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0645 -11.7928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1565 -10.9659 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 13 16 2 0 0 0 0 14 31 1 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 31 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 14 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 20 21 2 0 0 0 0 21 25 1 0 0 0 0 5 6 1 0 0 0 0 24 22 1 0 0 0 0 3 7 1 0 0 0 0 22 23 2 0 0 0 0 23 20 1 0 0 0 0 17 20 1 0 0 0 0 24 25 2 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 6 1 6 0 0 0 9 26 1 0 0 0 0 26 27 1 0 0 0 0 10 11 1 0 0 0 0 26 28 1 0 0 0 0 11 12 2 0 0 0 0 29 13 1 0 0 0 0 10 29 1 0 0 0 0 11 30 1 0 0 0 0 M END > 7.91721462968355 > 5.4907974776689 $$$$ 11280715202D 1 1.00000 0.00000 0 29 31 0 0 0 999 V2000 -1.5625 1.5625 0.0000 S 0 0 3 0 0 0 0 0 0 -2.9958 1.5750 0.0000 C 0 0 3 0 0 0 0 0 0 -2.2833 1.9875 0.0000 N 0 0 0 0 0 0 0 0 0 -3.7125 1.9875 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8458 1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1375 2.2833 0.0000 O 0 0 0 0 0 0 0 0 0 -1.9875 0.8458 0.0000 O 0 0 0 0 0 0 0 0 0 0.5792 -1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 -3.7125 2.8208 0.0000 O 0 0 0 0 0 0 0 0 0 -4.4250 1.5750 0.0000 N 0 0 0 0 0 0 0 0 0 0.5792 -2.1667 0.0000 C 0 0 0 0 0 0 0 0 0 1.3000 -0.9292 0.0000 C 0 0 0 0 0 0 0 0 0 -2.2833 1.1583 0.0000 C 0 0 0 0 0 0 0 0 0 -3.7208 1.1583 0.0000 C 0 0 0 0 0 0 0 0 0 -3.0000 -0.0875 0.0000 O 0 0 0 0 0 0 0 0 0 -0.1333 1.5500 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8458 0.3083 0.0000 C 0 0 0 0 0 0 0 0 0 1.3042 -0.1042 0.0000 O 0 0 0 0 0 0 0 0 0 0.5875 0.3083 0.0000 C 0 0 0 0 0 0 0 0 0 1.2917 -2.5792 0.0000 F 0 0 0 0 0 0 0 0 0 0.5875 1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1333 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 -4.4250 0.7458 0.0000 O 0 0 0 0 0 0 0 0 0 -3.7208 0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 -2.2833 0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1333 -0.9167 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1375 -2.5792 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8583 -1.3292 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8583 -2.1625 0.0000 C 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 3 1 1 0 0 0 4 2 1 0 0 0 5 1 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 12 1 0 0 0 9 4 2 0 0 0 10 4 1 0 0 0 11 8 1 0 0 0 12 18 1 0 0 0 13 2 1 0 0 0 14 2 1 0 0 0 15 24 1 0 0 0 16 5 1 0 0 0 17 5 2 0 0 0 18 19 1 0 0 0 19 22 2 0 0 0 20 11 1 0 0 0 21 16 2 0 0 0 22 17 1 0 0 0 23 10 1 0 0 0 24 14 1 0 0 0 25 13 1 0 0 0 26 8 2 0 0 0 27 11 2 0 0 0 28 26 1 0 0 0 29 28 2 0 0 0 19 21 1 0 0 0 25 15 1 0 0 0 29 27 1 0 0 0 M END > 7.72124639904717 > 5.01772876696043 $$$$ 11280715002D 1 1.00000 0.00000 0 29 31 0 0 0 999 V2000 5.5667 -7.2250 0.0000 S 0 0 3 0 0 0 0 0 0 5.0417 -6.9250 0.0000 N 0 0 3 0 0 0 0 0 0 7.1292 -5.1125 0.0000 N 0 3 0 0 0 0 0 0 0 6.0792 -7.5250 0.0000 C 0 0 0 0 0 0 0 0 0 4.5167 -7.2250 0.0000 C 0 0 0 0 0 0 0 0 0 3.9917 -6.9250 0.0000 C 0 0 0 0 0 0 0 0 0 5.8667 -6.7042 0.0000 O 0 0 0 0 0 0 0 0 0 5.2625 -7.7417 0.0000 O 0 0 0 0 0 0 0 0 0 6.6125 -5.4125 0.0000 C 0 0 0 0 0 0 0 0 0 6.6000 -7.2167 0.0000 C 0 0 0 0 0 0 0 0 0 7.6542 -5.4125 0.0000 O 0 5 0 0 0 0 0 0 0 5.0417 -6.3167 0.0000 C 0 0 0 0 0 0 0 0 0 7.1292 -4.5042 0.0000 O 0 0 0 0 0 0 0 0 0 7.1292 -7.5167 0.0000 C 0 0 0 0 0 0 0 0 0 6.0792 -8.1292 0.0000 C 0 0 0 0 0 0 0 0 0 3.4750 -7.2250 0.0000 O 0 0 0 0 0 0 0 0 0 3.9917 -6.3167 0.0000 N 0 0 0 0 0 0 0 0 0 7.1292 -8.1167 0.0000 C 0 0 0 0 0 0 0 0 0 6.6042 -8.4292 0.0000 C 0 0 0 0 0 0 0 0 0 6.0792 -5.1125 0.0000 C 0 0 0 0 0 0 0 0 0 6.6125 -6.0167 0.0000 C 0 0 0 0 0 0 0 0 0 5.5667 -6.0167 0.0000 C 0 0 0 0 0 0 0 0 0 5.5667 -5.4125 0.0000 C 0 0 0 0 0 0 0 0 0 6.0792 -6.3167 0.0000 C 0 0 0 0 0 0 0 0 0 3.4750 -6.0167 0.0000 O 0 0 0 0 0 0 0 0 0 7.6417 -7.2125 0.0000 C 0 0 0 0 0 0 0 0 0 7.6542 -8.4167 0.0000 C 0 0 0 0 0 0 0 0 0 8.1750 -7.5167 0.0000 C 0 0 0 0 0 0 0 0 0 8.1750 -8.1167 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 9 1 0 0 0 4 1 1 0 0 0 5 2 1 0 0 0 6 5 1 0 0 0 7 1 2 0 0 0 8 1 2 0 0 0 9 21 2 0 0 0 10 4 1 0 0 0 11 3 1 0 0 0 12 2 1 0 0 0 13 3 2 0 0 0 14 10 2 0 0 0 15 4 2 0 0 0 16 6 2 0 0 0 17 6 1 0 0 0 18 19 2 0 0 0 19 15 1 0 0 0 20 23 2 0 0 0 21 24 1 0 0 0 22 12 1 0 0 0 23 22 1 0 0 0 24 22 2 0 0 0 25 17 1 0 0 0 26 14 1 0 0 0 27 18 1 0 0 0 28 26 2 0 0 0 29 27 2 0 0 0 14 18 1 0 0 0 9 20 1 0 0 0 28 29 1 0 0 0 M CHG 2 3 1 11 -1 M END > 8 > 8 $$$$ CDK 9/16/09,9:57 23 23 0 0 0 0 0 0 0 0999 V2000 -1.8348 -17.8666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8359 -18.6940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1211 -19.1069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4047 -18.6935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4075 -17.8630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1229 -17.4539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3105 -19.1049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0243 -18.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0167 -17.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0125 -17.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0083 -16.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5493 -17.4543 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.2667 -17.0417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1375 -16.7395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9590 -18.1704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2680 -16.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9831 -15.8053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5542 -15.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9844 -14.9803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6969 -16.2189 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4120 -15.8076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5555 -14.9780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8390 -16.2144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5 6 2 0 0 0 0 1 12 1 0 0 0 0 6 1 1 0 0 0 0 12 13 1 0 0 0 0 1 2 2 0 0 0 0 12 14 2 0 0 0 0 4 7 1 0 0 0 0 12 15 2 0 0 0 0 3 4 2 0 0 0 0 13 16 1 0 0 0 0 7 8 1 0 0 0 0 16 17 1 1 0 0 0 16 18 1 0 0 0 0 8 9 1 0 0 0 0 17 19 2 0 0 0 0 4 5 1 0 0 0 0 17 20 1 0 0 0 0 9 10 3 0 0 0 0 20 21 1 0 0 0 0 2 3 1 0 0 0 0 18 22 1 0 0 0 0 10 11 1 0 0 0 0 18 23 1 6 0 0 0 M END > 7.01772876696043 > 5.60712725459792 $$$$ 11280715242D 1 1.00000 0.00000 0 29 31 0 0 0 999 V2000 4.8750 -1.7542 0.0000 S 0 0 3 0 0 0 0 0 0 4.8750 -2.3542 0.0000 N 0 0 3 0 0 0 0 0 0 5.3917 -4.4542 0.0000 C 0 0 0 0 0 0 0 0 0 4.3625 -2.6542 0.0000 C 0 0 3 0 0 0 0 0 0 4.8750 -4.1542 0.0000 C 0 0 0 0 0 0 0 0 0 4.8750 -3.5542 0.0000 N 0 0 3 0 0 0 0 0 0 6.0417 -5.1792 0.0000 N 0 0 0 0 0 0 0 0 0 5.9417 -4.2125 0.0000 C 0 0 0 0 0 0 0 0 0 4.3625 -3.2542 0.0000 C 0 0 0 0 0 0 0 0 0 3.8417 -2.3542 0.0000 C 0 0 0 0 0 0 0 0 0 6.3417 -4.6542 0.0000 N 0 0 0 0 0 0 0 0 0 5.4542 -5.0542 0.0000 S 0 0 0 0 0 0 0 0 0 5.3917 -2.6542 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -1.4542 0.0000 C 0 0 0 0 0 0 0 0 0 4.3250 -1.3750 0.0000 O 0 0 0 0 0 0 0 0 0 5.5875 -2.1667 0.0000 O 0 0 0 0 0 0 0 0 0 5.3917 -3.2542 0.0000 C 0 0 0 0 0 0 0 0 0 4.3542 -4.4542 0.0000 O 0 0 0 0 0 0 0 0 0 3.8375 -1.7542 0.0000 O 0 0 0 0 0 0 0 0 0 3.3167 -2.6542 0.0000 N 0 0 0 0 0 0 0 0 0 5.9125 -1.7542 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -0.8542 0.0000 C 0 0 0 0 0 0 0 0 0 6.4292 -0.8542 0.0000 C 0 0 0 0 0 0 0 0 0 5.9042 -0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 6.4292 -1.4542 0.0000 C 0 0 0 0 0 0 0 0 0 2.8000 -2.3542 0.0000 O 0 0 0 0 0 0 0 0 0 6.0667 -3.6250 0.0000 C 0 0 0 0 0 0 0 0 0 6.9500 -0.5542 0.0000 O 0 0 0 0 0 0 0 0 0 7.4667 -0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 5 1 0 0 0 4 2 1 0 0 0 5 6 1 0 0 0 6 17 1 0 0 0 7 12 1 0 0 0 8 3 2 0 0 0 9 4 1 0 0 0 10 4 1 0 0 0 11 8 1 0 0 0 12 3 1 0 0 0 13 2 1 0 0 0 14 1 1 0 0 0 15 1 2 0 0 0 16 1 2 0 0 0 17 13 1 0 0 0 18 5 2 0 0 0 19 10 2 0 0 0 20 10 1 0 0 0 21 14 2 0 0 0 22 14 1 0 0 0 23 24 1 0 0 0 24 22 2 0 0 0 25 21 1 0 0 0 26 20 1 0 0 0 27 8 1 0 0 0 28 23 1 0 0 0 29 28 1 0 0 0 23 25 2 0 0 0 6 9 1 0 0 0 11 7 2 0 0 0 M END > 7.67778070526608 > 5.97510403989252 $$$$ 11280715002D 1 1.00000 0.00000 0 28 29 0 0 0 999 V2000 5.3000 -7.2250 0.0000 S 0 0 3 0 0 0 0 0 0 4.7750 -6.9250 0.0000 N 0 0 3 0 0 0 0 0 0 6.8667 -5.1125 0.0000 N 0 3 0 0 0 0 0 0 0 5.8167 -7.5250 0.0000 C 0 0 0 0 0 0 0 0 0 4.2542 -7.2250 0.0000 C 0 0 0 0 0 0 0 0 0 3.7292 -6.9250 0.0000 C 0 0 0 0 0 0 0 0 0 7.3917 -7.2125 0.0000 C 0 0 0 0 0 0 0 0 0 5.0000 -7.7417 0.0000 O 0 0 0 0 0 0 0 0 0 5.6042 -6.7042 0.0000 O 0 0 0 0 0 0 0 0 0 6.3375 -7.2167 0.0000 C 0 0 0 0 0 0 0 0 0 6.3500 -5.4125 0.0000 C 0 0 0 0 0 0 0 0 0 6.8667 -7.5167 0.0000 C 0 0 0 0 0 0 0 0 0 7.3917 -5.4125 0.0000 O 0 5 0 0 0 0 0 0 0 4.7750 -6.3167 0.0000 C 0 0 0 0 0 0 0 0 0 6.8667 -4.5042 0.0000 O 0 0 0 0 0 0 0 0 0 3.2125 -7.2250 0.0000 O 0 0 0 0 0 0 0 0 0 7.3792 -6.6042 0.0000 O 0 0 0 0 0 0 0 0 0 3.7292 -6.3167 0.0000 N 0 0 0 0 0 0 0 0 0 6.3500 -6.0167 0.0000 C 0 0 0 0 0 0 0 0 0 5.8167 -5.1125 0.0000 C 0 0 0 0 0 0 0 0 0 5.3000 -6.0167 0.0000 C 0 0 0 0 0 0 0 0 0 7.9042 -7.5167 0.0000 O 0 0 0 0 0 0 0 0 0 5.3000 -5.4125 0.0000 C 0 0 0 0 0 0 0 0 0 5.8167 -6.3167 0.0000 C 0 0 0 0 0 0 0 0 0 3.2125 -6.0167 0.0000 O 0 0 0 0 0 0 0 0 0 5.8167 -8.1292 0.0000 C 0 0 0 0 0 0 0 0 0 6.8667 -8.1292 0.0000 C 0 0 0 0 0 0 0 0 0 6.3417 -8.4292 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 11 1 0 0 0 4 1 1 0 0 0 5 2 1 0 0 0 6 5 1 0 0 0 7 12 1 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 4 1 0 0 0 11 19 2 0 0 0 12 10 2 0 0 0 13 3 1 0 0 0 14 2 1 0 0 0 15 3 2 0 0 0 16 6 2 0 0 0 17 7 2 0 0 0 18 6 1 0 0 0 19 24 1 0 0 0 20 23 2 0 0 0 21 14 1 0 0 0 22 7 1 0 0 0 23 21 1 0 0 0 24 21 2 0 0 0 25 18 1 0 0 0 26 4 2 0 0 0 27 28 2 0 0 0 28 26 1 0 0 0 12 27 1 0 0 0 11 20 1 0 0 0 M CHG 2 3 1 13 -1 M END > 8 > 8 $$$$ 11280715332D 1 1.00000 0.00000 0 24 25 0 1 0 999 V2000 5.9542 -3.1167 0.0000 S 0 0 3 0 0 0 0 0 0 6.2417 -3.9000 0.0000 N 0 0 3 0 0 0 0 0 0 5.7167 -4.5292 0.0000 C 0 0 1 0 0 0 0 0 0 4.8917 -4.4875 0.0000 C 0 0 0 0 0 0 0 0 0 7.0042 -4.2042 0.0000 C 0 0 0 0 0 0 0 0 0 6.9500 -5.0292 0.0000 C 0 0 0 0 0 0 0 0 0 6.1542 -5.2250 0.0000 C 0 0 0 0 0 0 0 0 0 6.7375 -2.8292 0.0000 C 0 0 0 0 0 0 0 0 0 5.6667 -2.3417 0.0000 O 0 0 0 0 0 0 0 0 0 5.1792 -3.4042 0.0000 O 0 0 0 0 0 0 0 0 0 7.5750 -5.5667 0.0000 N 0 0 0 0 0 0 0 0 0 4.5167 -3.7542 0.0000 O 0 0 0 0 0 0 0 0 0 4.4375 -5.1792 0.0000 N 0 0 0 0 0 0 0 0 0 7.3667 -3.3542 0.0000 C 0 0 0 0 0 0 0 0 0 6.8792 -2.0167 0.0000 C 0 0 0 0 0 0 0 0 0 8.2792 -2.2667 0.0000 C 0 0 0 0 0 0 0 0 0 7.6500 -1.7375 0.0000 C 0 0 0 0 0 0 0 0 0 8.1375 -3.0750 0.0000 C 0 0 0 0 0 0 0 0 0 8.3500 -5.3000 0.0000 O 0 0 0 0 0 0 0 0 0 3.6125 -5.1375 0.0000 O 0 0 0 0 0 0 0 0 0 9.0667 -1.9792 0.0000 O 0 0 0 0 0 0 0 0 0 9.7000 -2.5167 0.0000 C 0 0 0 0 0 0 0 0 0 8.9792 -5.8375 0.0000 C 0 0 0 0 0 0 0 0 0 10.4750 -2.2375 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 2 1 0 0 0 6 5 1 0 0 0 3 7 1 6 0 0 8 1 1 0 0 0 9 1 2 0 0 0 10 1 2 0 0 0 11 6 2 0 0 0 12 4 2 0 0 0 13 4 1 0 0 0 14 8 2 0 0 0 15 8 1 0 0 0 16 17 1 0 0 0 17 15 2 0 0 0 18 14 1 0 0 0 19 11 1 0 0 0 20 13 1 0 0 0 21 16 1 0 0 0 22 21 1 0 0 0 23 19 1 0 0 0 24 22 1 0 0 0 16 18 2 0 0 0 6 7 1 0 0 0 M END > 9.15490195998574 > 7.65757731917779 $$$$ 11280715232D 1 1.00000 0.00000 0 30 31 0 0 0 999 V2000 5.1167 -3.6167 0.0000 S 0 0 3 0 0 0 0 0 0 5.8292 -4.0042 0.0000 C 0 0 0 0 0 0 0 0 0 5.8417 -4.8167 0.0000 C 0 0 0 0 0 0 0 0 0 6.5250 -3.5792 0.0000 C 0 0 0 0 0 0 0 0 0 4.4167 -3.2125 0.0000 N 0 0 3 0 0 0 0 0 0 7.2375 -3.9667 0.0000 C 0 0 0 0 0 0 0 0 0 6.5542 -5.2125 0.0000 C 0 0 0 0 0 0 0 0 0 7.2542 -4.7875 0.0000 C 0 0 0 0 0 0 0 0 0 4.4042 -0.7667 0.0000 N 0 3 0 0 0 0 0 0 0 3.7125 -3.6167 0.0000 C 0 0 0 0 0 0 0 0 0 5.1167 -1.9917 0.0000 C 0 0 0 0 0 0 0 0 0 5.1167 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 3.0000 -3.2125 0.0000 C 0 0 0 0 0 0 0 0 0 4.4167 -2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 5.8125 -2.8917 0.0000 O 0 0 0 0 0 0 0 0 0 4.3667 -4.3292 0.0000 O 0 0 0 0 0 0 0 0 0 4.4042 0.0458 0.0000 O 0 5 0 0 0 0 0 0 0 3.6042 -0.9292 0.0000 O 0 0 0 0 0 0 0 0 0 6.5042 -2.7667 0.0000 F 0 0 0 0 0 0 0 0 0 5.1500 -5.2417 0.0000 F 0 0 0 0 0 0 0 0 0 2.3000 -3.6167 0.0000 O 0 0 0 0 0 0 0 0 0 6.5750 -6.0250 0.0000 F 0 0 0 0 0 0 0 0 0 7.9292 -3.5417 0.0000 F 0 0 0 0 0 0 0 0 0 7.9667 -5.1792 0.0000 F 0 0 0 0 0 0 0 0 0 3.0000 -2.4000 0.0000 N 0 0 0 0 0 0 0 0 0 2.3000 -1.9917 0.0000 O 0 0 0 0 0 0 0 0 0 5.8250 -2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 5.8125 -0.7667 0.0000 C 0 0 0 0 0 0 0 0 0 6.5250 -1.9917 0.0000 C 0 0 0 0 0 0 0 0 0 6.5250 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 2 0 0 0 4 2 1 0 0 0 5 1 1 0 0 0 6 4 2 0 0 0 7 3 1 0 0 0 8 6 1 0 0 0 9 12 1 0 0 0 10 5 1 0 0 0 11 14 1 0 0 0 12 11 1 0 0 0 13 10 1 0 0 0 14 5 1 0 0 0 15 1 2 0 0 0 16 1 2 0 0 0 17 9 1 0 0 0 18 9 2 0 0 0 19 4 1 0 0 0 20 3 1 0 0 0 21 13 2 0 0 0 22 7 1 0 0 0 23 6 1 0 0 0 24 8 1 0 0 0 25 13 1 0 0 0 26 25 1 0 0 0 27 11 2 0 0 0 28 12 2 0 0 0 29 27 1 0 0 0 30 29 2 0 0 0 7 8 2 0 0 0 30 28 1 0 0 0 M CHG 2 9 1 17 -1 M END > 8.22184874961636 > 8.22184874961636 $$$$ 11280715442D 1 1.00000 0.00000 0 27 29 0 1 0 999 V2000 -0.4000 0.9333 0.0000 S 0 0 3 0 0 0 0 0 0 -0.3958 1.7583 0.0000 C 0 0 1 0 0 0 0 0 0 0.3250 2.1625 0.0000 C 0 0 2 0 0 0 0 0 0 1.0375 1.7458 0.0000 C 0 0 0 0 0 0 0 0 0 -0.4000 0.1083 0.0000 C 0 0 0 0 0 0 0 0 0 -1.2250 0.9375 0.0000 O 0 0 0 0 0 0 0 0 0 0.4250 0.9333 0.0000 O 0 0 0 0 0 0 0 0 0 -0.3958 -2.3667 0.0000 C 0 0 0 0 0 0 0 0 0 -0.4000 -1.5417 0.0000 C 0 0 0 0 0 0 0 0 0 1.0250 0.9208 0.0000 O 0 0 0 0 0 0 0 0 0 1.7500 2.1458 0.0000 N 0 0 0 0 0 0 0 0 0 0.3167 -2.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0.9042 2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 -1.1083 2.1625 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1125 -0.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0.3167 -0.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0.3292 2.9833 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3750 3.4000 0.0000 O 0 0 0 0 0 0 0 0 0 -1.1125 -1.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0.3125 -1.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0.3167 -3.6042 0.0000 C 0 0 0 0 0 0 0 0 0 2.4625 1.7333 0.0000 O 0 0 0 0 0 0 0 0 0 -1.1000 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1125 -2.7792 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1125 -3.6042 0.0000 C 0 0 0 0 0 0 0 0 0 -0.4000 -4.0167 0.0000 C 0 0 0 0 0 0 0 0 0 1.0375 -4.0042 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 6 0 0 3 2 1 0 0 0 3 4 1 6 0 0 5 1 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 9 1 0 0 0 9 20 2 0 0 0 10 4 2 0 0 0 11 4 1 0 0 0 12 8 1 0 0 0 3 13 1 1 0 0 14 2 1 0 0 0 15 5 1 0 0 0 16 5 2 0 0 0 17 3 1 0 0 0 18 23 1 0 0 0 19 15 2 0 0 0 20 16 1 0 0 0 21 12 2 0 0 0 22 11 1 0 0 0 23 14 1 0 0 0 24 8 2 0 0 0 25 24 1 0 0 0 26 25 2 0 0 0 27 21 1 0 0 0 19 9 1 0 0 0 17 18 1 0 0 0 21 26 1 0 0 0 M END > 9.36653154442041 > 7.52287874528034 $$$$ 11280715512D 1 1.00000 0.00000 0 34 35 0 1 0 999 V2000 -0.7469 -16.1611 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7480 -16.9881 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0336 -17.4006 0.0000 C 0 0 0 0 0 0 0 0 0 0.6824 -16.9876 0.0000 C 0 0 0 0 0 0 0 0 0 0.6796 -16.1576 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0354 -15.7486 0.0000 C 0 0 0 0 0 0 0 0 0 -1.4665 -17.4122 0.0000 S 0 0 3 0 0 0 0 0 0 -2.1904 -17.8351 0.0000 N 0 0 3 0 0 0 0 0 0 -1.0413 -18.1326 0.0000 O 0 0 0 0 0 0 0 0 0 -1.8942 -16.6908 0.0000 O 0 0 0 0 0 0 0 0 0 -2.9144 -17.4295 0.0000 C 0 0 2 0 0 0 0 0 0 -3.6236 -17.8490 0.0000 C 0 0 3 0 0 0 0 0 0 -3.6150 -18.6799 0.0000 S 0 0 0 0 0 0 0 0 0 -2.8826 -19.0814 0.0000 C 0 0 0 0 0 0 0 0 0 -2.1755 -18.6645 0.0000 C 0 0 0 0 0 0 0 0 0 -2.9295 -16.6051 0.0000 C 0 0 0 0 0 0 0 0 0 -2.2272 -16.1806 0.0000 O 0 0 0 0 0 0 0 0 0 -3.6552 -16.2009 0.0000 N 0 0 0 0 0 0 0 0 0 -3.6661 -15.3765 0.0000 O 0 0 0 0 0 0 0 0 0 1.3969 -15.7365 0.0000 O 0 0 0 0 0 0 0 0 0 2.1108 -16.1542 0.0000 C 0 0 0 0 0 0 0 0 0 2.1008 -16.9796 0.0000 C 0 0 0 0 0 0 0 0 0 2.0965 -17.8103 0.0000 C 0 0 0 0 0 0 0 0 0 2.0874 -18.6423 0.0000 C 0 0 0 0 0 0 0 0 0 -3.8394 -17.0523 0.0000 C 0 0 0 0 0 0 0 0 0 -4.4473 -17.8019 0.0000 C 0 0 0 0 0 0 0 0 0 2.7968 -19.0623 0.0000 N 0 0 0 0 0 0 0 0 0 3.5154 -18.6580 0.0000 C 0 0 0 0 0 0 0 0 0 4.2249 -19.0780 0.0000 O 0 0 0 0 0 0 0 0 0 3.5244 -17.8334 0.0000 O 0 0 0 0 0 0 0 0 0 4.2430 -17.4291 0.0000 C 0 0 3 0 0 0 0 0 0 4.9512 -17.0106 0.0000 C 0 0 0 0 0 0 0 0 0 4.6549 -18.1434 0.0000 C 0 0 0 0 0 0 0 0 0 3.8327 -16.7139 0.0000 C 0 0 0 0 0 0 0 0 0 7 8 1 0 0 0 16 17 2 0 0 0 16 18 1 0 0 0 7 9 2 0 0 0 18 19 1 0 0 0 4 5 1 0 0 0 5 20 1 0 0 0 7 10 2 0 0 0 20 21 1 0 0 0 8 11 1 0 0 0 21 22 1 0 0 0 2 3 1 0 0 0 22 23 3 0 0 0 5 6 2 0 0 0 23 24 1 0 0 0 6 1 1 0 0 0 12 25 1 0 0 0 1 2 2 0 0 0 12 26 1 0 0 0 2 7 1 0 0 0 24 27 1 0 0 0 8 15 1 0 0 0 27 28 1 0 0 0 11 12 1 6 0 0 28 29 2 0 0 0 12 13 1 0 0 0 28 30 1 0 0 0 13 14 1 0 0 0 30 31 1 0 0 0 14 15 1 0 0 0 31 32 1 0 0 0 3 4 2 0 0 0 31 33 1 0 0 0 11 16 1 0 0 0 31 34 1 0 0 0 M END > 8.39794000867204 > 7.58502665202918 $$$$ 11280715432D 1 1.00000 0.00000 0 34 36 0 0 0 999 V2000 0.0292 0.3750 0.0000 S 0 0 3 0 0 0 0 0 0 0.0042 -0.4000 0.0000 N 0 0 3 0 0 0 0 0 0 -0.6375 -0.8292 0.0000 C 0 0 3 0 0 0 0 0 0 -0.1333 -2.1375 0.0000 N 0 0 3 0 0 0 0 0 0 -0.6958 -1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0.7500 -0.6375 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3000 -0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0.6375 -2.0167 0.0000 C 0 0 0 0 0 0 0 0 0 1.0292 -1.3542 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3708 -2.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0.0542 1.1583 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7458 0.4083 0.0000 O 0 0 0 0 0 0 0 0 0 0.8042 0.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0.8417 4.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0.8625 5.4000 0.0000 C 0 0 0 0 0 0 0 0 0 -1.2958 0.3375 0.0000 O 0 0 0 0 0 0 0 0 0 0.1625 -3.4417 0.0000 O 0 0 0 0 0 0 0 0 0 -1.9750 -0.8167 0.0000 N 0 0 0 0 0 0 0 0 0 -0.6000 1.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0.7500 1.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0.1042 2.7083 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5833 2.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0.7750 2.3000 0.0000 C 0 0 0 0 0 0 0 0 0 -2.6458 -0.4250 0.0000 O 0 0 0 0 0 0 0 0 0 -1.1208 -3.0417 0.0000 C 0 0 0 0 0 0 0 0 0 1.8000 -1.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0.8167 3.8583 0.0000 C 0 0 0 0 0 0 0 0 0 1.0167 -2.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0.1375 3.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0.8875 6.1750 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3500 -3.7792 0.0000 O 0 0 0 0 0 0 0 0 0 -2.1083 -3.9500 0.0000 C 0 0 0 0 0 0 0 0 0 2.1792 -2.0167 0.0000 C 0 0 0 0 0 0 0 0 0 1.7917 -2.7000 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 5 1 0 0 0 5 3 1 0 0 0 6 2 1 0 0 0 7 3 1 0 0 0 8 9 2 0 0 0 9 6 1 0 0 0 10 4 1 0 0 0 11 1 1 0 0 0 12 1 2 0 0 0 13 1 2 0 0 0 14 27 1 0 0 0 15 14 3 0 0 0 16 7 2 0 0 0 17 10 2 0 0 0 18 7 1 0 0 0 19 11 1 0 0 0 20 11 2 0 0 0 21 23 2 0 0 0 22 19 2 0 0 0 23 20 1 0 0 0 24 18 1 0 0 0 25 10 1 0 0 0 26 9 1 0 0 0 27 29 1 0 0 0 28 8 1 0 0 0 29 21 1 0 0 0 30 15 1 0 0 0 31 25 1 0 0 0 32 31 1 0 0 0 33 26 2 0 0 0 34 33 1 0 0 0 22 21 1 0 0 0 4 8 1 0 0 0 28 34 2 0 0 0 M END > 7.01322826573375 > 6.06905096883248 $$$$ 11280715072D 1 1.00000 0.00000 0 41 43 0 1 0 999 V2000 5.3792 -2.5917 0.0000 N 0 0 0 0 0 0 0 0 0 4.6667 -3.0125 0.0000 C 0 0 0 0 0 0 0 0 0 2.5250 -2.6125 0.0000 P 0 0 3 0 0 0 0 0 0 3.9500 -2.6042 0.0000 C 0 0 3 0 0 0 0 0 0 6.0917 -3.0042 0.0000 C 0 0 2 0 0 0 0 0 0 6.8042 -2.5875 0.0000 C 0 0 0 0 0 0 0 0 0 3.2375 -3.0167 0.0000 C 0 0 0 0 0 0 0 0 0 6.1000 -3.8292 0.0000 C 0 0 3 0 0 0 0 0 0 2.5167 -1.7875 0.0000 O 0 0 0 0 0 0 0 0 0 4.6667 -3.8375 0.0000 O 0 0 0 0 0 0 0 0 0 3.9417 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 6.8042 -1.7625 0.0000 O 0 0 0 0 0 0 0 0 0 1.8125 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 7.5250 -3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 -1.7625 -1.8042 0.0000 C 0 0 0 0 0 0 0 0 0 2.5167 -3.4375 0.0000 O 0 0 0 0 0 0 0 0 0 -1.0500 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4833 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 1.0917 -2.6167 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3333 -1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 4.6542 -1.3625 0.0000 C 0 0 0 0 0 0 0 0 0 -3.1958 -1.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0.3792 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3333 -2.6250 0.0000 C 0 0 0 0 0 0 0 0 0 1.0875 -1.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0.3667 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 4.6542 -0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 -3.9083 -1.4000 0.0000 O 0 0 0 0 0 0 0 0 0 -2.4833 -3.0500 0.0000 C 0 0 0 0 0 0 0 0 0 6.9250 -3.8292 0.0000 C 0 0 0 0 0 0 0 0 0 6.1125 -4.6542 0.0000 C 0 0 0 0 0 0 0 0 0 5.2750 -3.8250 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7625 -2.6375 0.0000 C 0 0 0 0 0 0 0 0 0 -3.1958 -2.6375 0.0000 C 0 0 0 0 0 0 0 0 0 8.2375 -2.5792 0.0000 C 0 0 0 0 0 0 0 0 0 3.9417 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 5.3667 -0.1250 0.0000 C 0 0 0 0 0 0 0 0 0 -4.6250 -1.8125 0.0000 C 0 0 0 0 0 0 0 0 0 3.9292 0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 5.3625 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 4.6417 1.1083 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 7 1 0 0 0 4 2 1 0 0 0 5 1 1 0 0 0 6 5 1 0 0 0 7 4 1 0 0 0 5 8 1 6 0 0 9 3 2 0 0 0 10 2 2 0 0 0 4 11 1 0 0 0 12 6 2 0 0 0 13 3 1 0 0 0 14 6 1 0 0 0 15 17 1 0 0 0 16 3 1 0 0 0 17 20 1 0 0 0 18 15 2 0 0 0 19 13 1 0 0 0 20 26 1 0 0 0 21 11 1 0 0 0 22 18 1 0 0 0 23 19 2 0 0 0 24 23 1 0 0 0 25 19 1 0 0 0 26 25 2 0 0 0 27 21 1 0 0 0 28 22 1 0 0 0 29 33 2 0 0 0 30 8 1 0 0 0 31 8 1 0 0 0 32 8 1 0 0 0 33 15 1 0 0 0 34 29 1 0 0 0 35 14 1 0 0 0 36 27 1 0 0 0 37 27 2 0 0 0 38 28 1 0 0 0 39 36 2 0 0 0 40 37 1 0 0 0 41 40 2 0 0 0 41 39 1 0 0 0 24 20 2 0 0 0 34 22 2 0 0 0 M END > 7.36653154442041 > 5.52287874528034 $$$$ 11280714562D 1 1.00000 0.00000 0 27 28 0 1 0 999 V2000 2.7125 -1.1250 0.0000 S 0 0 3 0 0 0 0 0 0 3.3125 -1.1250 0.0000 N 0 0 0 0 0 0 0 0 0 3.6042 -0.6042 0.0000 C 0 0 2 0 0 0 0 0 0 -1.4833 -1.1792 0.0000 C 0 0 3 0 0 0 0 0 0 4.2042 -0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 2.1125 -1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 2.7042 -1.7250 0.0000 O 0 0 0 0 0 0 0 0 0 2.7042 -0.5250 0.0000 O 0 0 0 0 0 0 0 0 0 -0.8833 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0.3167 -1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0.9167 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 4.5125 -1.1167 0.0000 O 0 0 0 0 0 0 0 0 0 1.8167 -1.6625 0.0000 C 0 0 0 0 0 0 0 0 0 1.8000 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5750 -1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5958 -0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7833 -0.6542 0.0000 F 0 0 0 0 0 0 0 0 0 -1.7875 -1.6917 0.0000 F 0 0 0 0 0 0 0 0 0 -2.0708 -1.0167 0.0000 F 0 0 0 0 0 0 0 0 0 3.3042 -0.0792 0.0000 C 0 0 3 0 0 0 0 0 0 0.0250 -1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0.0042 -0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 1.2167 -1.6667 0.0000 C 0 0 0 0 0 0 0 0 0 1.2042 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 4.5042 -0.0792 0.0000 O 0 0 0 0 0 0 0 0 0 3.6042 0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 2.7875 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 9 1 0 0 0 5 3 1 0 0 0 6 1 1 0 0 0 7 1 2 0 0 0 8 1 2 0 0 0 9 16 1 0 0 0 10 11 1 0 0 0 11 24 1 0 0 0 12 5 2 0 0 0 13 6 2 0 0 0 14 6 1 0 0 0 15 21 1 0 0 0 16 22 2 0 0 0 17 4 1 0 0 0 18 4 1 0 0 0 19 4 1 0 0 0 3 20 1 1 0 0 21 10 2 0 0 0 22 10 1 0 0 0 23 13 1 0 0 0 24 14 2 0 0 0 25 5 1 0 0 0 26 20 1 0 0 0 27 20 1 0 0 0 23 11 2 0 0 0 15 9 2 0 0 0 M END > 7.63827216398241 > 5.3767507096021 $$$$ 11280715212D 1 1.00000 0.00000 0 28 30 0 0 0 999 V2000 -1.5625 1.5625 0.0000 S 0 0 3 0 0 0 0 0 0 -2.9958 1.5750 0.0000 C 0 0 3 0 0 0 0 0 0 -2.2833 1.9875 0.0000 N 0 0 0 0 0 0 0 0 0 -3.7125 1.9875 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8458 1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 1.3042 -0.9292 0.0000 C 0 0 0 0 0 0 0 0 0 -1.9875 0.8458 0.0000 O 0 0 0 0 0 0 0 0 0 -1.1375 2.2833 0.0000 O 0 0 0 0 0 0 0 0 0 0.5917 -1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 2.0167 -1.3375 0.0000 N 0 0 0 0 0 0 0 0 0 -3.7125 2.8208 0.0000 O 0 0 0 0 0 0 0 0 0 1.3042 -0.1042 0.0000 O 0 0 0 0 0 0 0 0 0 -4.4250 1.5750 0.0000 N 0 0 0 0 0 0 0 0 0 -3.7208 1.1583 0.0000 C 0 0 0 0 0 0 0 0 0 -2.2833 1.1583 0.0000 C 0 0 0 0 0 0 0 0 0 -3.0000 -0.0875 0.0000 O 0 0 0 0 0 0 0 0 0 -0.8458 0.3083 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1333 1.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0.5917 -2.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0.5875 0.3083 0.0000 C 0 0 0 0 0 0 0 0 0 2.0250 -2.1542 0.0000 C 0 0 0 0 0 0 0 0 0 1.3042 -2.5750 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1333 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0.5875 1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1250 -2.5667 0.0000 F 0 0 0 0 0 0 0 0 0 -4.4250 0.7458 0.0000 O 0 0 0 0 0 0 0 0 0 -2.2833 0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 -3.7208 0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 3 1 1 0 0 0 4 2 1 0 0 0 5 1 1 0 0 0 6 12 1 0 0 0 7 1 2 0 0 0 8 1 2 0 0 0 9 6 2 0 0 0 10 6 1 0 0 0 11 4 2 0 0 0 12 20 1 0 0 0 13 4 1 0 0 0 14 2 1 0 0 0 15 2 1 0 0 0 16 27 1 0 0 0 17 5 2 0 0 0 18 5 1 0 0 0 19 9 1 0 0 0 20 24 1 0 0 0 21 10 2 0 0 0 22 21 1 0 0 0 23 17 1 0 0 0 24 18 2 0 0 0 25 19 1 0 0 0 26 13 1 0 0 0 27 15 1 0 0 0 28 14 1 0 0 0 20 23 2 0 0 0 16 28 1 0 0 0 22 19 2 0 0 0 M END > 7.85387196432176 > 5.42021640338319 $$$$ 11280715502D 1 1.00000 0.00000 0 28 29 0 1 0 999 V2000 11.0821 -25.3468 0.0000 C 0 0 0 0 0 0 0 0 0 11.0809 -26.1732 0.0000 C 0 0 0 0 0 0 0 0 0 11.7950 -26.5856 0.0000 C 0 0 0 0 0 0 0 0 0 12.5106 -26.1728 0.0000 C 0 0 0 0 0 0 0 0 0 12.5077 -25.3431 0.0000 C 0 0 0 0 0 0 0 0 0 11.7932 -24.9345 0.0000 C 0 0 0 0 0 0 0 0 0 10.3628 -26.5972 0.0000 S 0 0 3 0 0 0 0 0 0 9.6393 -27.0199 0.0000 N 0 0 3 0 0 0 0 0 0 10.7877 -27.3171 0.0000 O 0 0 0 0 0 0 0 0 0 9.9353 -25.8762 0.0000 O 0 0 0 0 0 0 0 0 0 8.9156 -26.6145 0.0000 C 0 0 2 0 0 0 0 0 0 8.2068 -27.0338 0.0000 C 0 0 3 0 0 0 0 0 0 8.2154 -27.8642 0.0000 S 0 0 0 0 0 0 0 0 0 8.9473 -28.2655 0.0000 C 0 0 0 0 0 0 0 0 0 9.6542 -27.8488 0.0000 C 0 0 0 0 0 0 0 0 0 8.9005 -25.7905 0.0000 C 0 0 0 0 0 0 0 0 0 9.6025 -25.3663 0.0000 O 0 0 0 0 0 0 0 0 0 8.1752 -25.3865 0.0000 N 0 0 0 0 0 0 0 0 0 8.1643 -24.5625 0.0000 O 0 0 0 0 0 0 0 0 0 13.2246 -24.9223 0.0000 O 0 0 0 0 0 0 0 0 0 13.9383 -25.3398 0.0000 C 0 0 0 0 0 0 0 0 0 13.9282 -26.1648 0.0000 C 0 0 0 0 0 0 0 0 0 13.9239 -26.9950 0.0000 C 0 0 0 0 0 0 0 0 0 13.9148 -27.8266 0.0000 C 0 0 0 0 0 0 0 0 0 7.9911 -26.2375 0.0000 C 0 0 0 0 0 0 0 0 0 7.3835 -26.9867 0.0000 C 0 0 0 0 0 0 0 0 0 14.6239 -28.2465 0.0000 C 0 0 0 0 0 0 0 0 0 15.3421 -27.8423 0.0000 N 0 0 0 0 0 0 0 0 0 11 12 1 6 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 3 4 2 0 0 0 11 16 1 0 0 0 7 8 1 0 0 0 16 17 2 0 0 0 16 18 1 0 0 0 7 9 2 0 0 0 18 19 1 0 0 0 4 5 1 0 0 0 5 20 1 0 0 0 7 10 2 0 0 0 20 21 1 0 0 0 8 11 1 0 0 0 21 22 1 0 0 0 2 3 1 0 0 0 22 23 3 0 0 0 5 6 2 0 0 0 23 24 1 0 0 0 6 1 1 0 0 0 12 25 1 0 0 0 1 2 2 0 0 0 12 26 1 0 0 0 2 7 1 0 0 0 24 27 1 0 0 0 8 15 1 0 0 0 27 28 1 0 0 0 M END > 7.56863623584101 > 5.97798426018228 $$$$ 11280715132D 1 1.00000 0.00000 0 34 37 0 0 0 999 V2000 5.4125 -3.0167 0.0000 S 0 0 3 0 0 0 0 0 0 3.9792 -3.0292 0.0000 C 0 0 3 0 0 0 0 0 0 4.6875 -2.6125 0.0000 C 0 0 0 0 0 0 0 0 0 3.2542 -2.6250 0.0000 C 0 0 0 0 0 0 0 0 0 3.9875 -3.8500 0.0000 N 0 0 0 0 0 0 0 0 0 6.2042 -2.7917 0.0000 C 0 0 0 0 0 0 0 0 0 2.5292 -6.3042 0.0000 C 0 0 0 0 0 0 0 0 0 5.2042 -3.8167 0.0000 O 0 0 0 0 0 0 0 0 0 5.6042 -2.2167 0.0000 O 0 0 0 0 0 0 0 0 0 3.2417 -6.7292 0.0000 C 0 0 0 0 0 0 0 0 0 1.9042 -6.8542 0.0000 O 0 0 0 0 0 0 0 0 0 3.0625 -7.5375 0.0000 O 0 0 0 0 0 0 0 0 0 2.2375 -7.6125 0.0000 C 0 0 0 0 0 0 0 0 0 3.2500 -1.8000 0.0000 O 0 0 0 0 0 0 0 0 0 2.5417 -5.4792 0.0000 C 0 0 0 0 0 0 0 0 0 2.5500 -3.0417 0.0000 N 0 0 0 0 0 0 0 0 0 6.8000 -3.3667 0.0000 C 0 0 0 0 0 0 0 0 0 6.4125 -1.9917 0.0000 C 0 0 0 0 0 0 0 0 0 8.5917 -2.1125 0.0000 O 0 0 0 0 0 0 0 0 0 3.9667 -6.3167 0.0000 C 0 0 0 0 0 0 0 0 0 3.2542 -5.0792 0.0000 C 0 0 0 0 0 0 0 0 0 3.2667 -4.2542 0.0000 C 0 0 0 0 0 0 0 0 0 7.7917 -2.3417 0.0000 C 0 0 0 0 0 0 0 0 0 3.2625 -3.4500 0.0000 C 0 0 0 0 0 0 0 0 0 3.9667 -5.4917 0.0000 C 0 0 0 0 0 0 0 0 0 7.2042 -1.7667 0.0000 C 0 0 0 0 0 0 0 0 0 7.5917 -3.1417 0.0000 C 0 0 0 0 0 0 0 0 0 9.1792 -2.6792 0.0000 C 0 0 0 0 0 0 0 0 0 1.8292 -2.6417 0.0000 O 0 0 0 0 0 0 0 0 0 9.9667 -2.4542 0.0000 C 0 0 0 0 0 0 0 0 0 8.9792 -3.4792 0.0000 C 0 0 0 0 0 0 0 0 0 9.5750 -4.0542 0.0000 C 0 0 0 0 0 0 0 0 0 10.5667 -3.0167 0.0000 C 0 0 0 0 0 0 0 0 0 10.3667 -3.8292 0.0000 C 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 3 1 1 0 0 0 4 2 1 0 0 0 5 2 1 0 0 0 6 1 1 0 0 0 7 15 1 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 20 1 0 0 0 11 7 1 0 0 0 12 10 1 0 0 0 13 11 1 0 0 0 14 4 2 0 0 0 15 21 2 0 0 0 16 4 1 0 0 0 17 6 1 0 0 0 18 6 2 0 0 0 19 23 1 0 0 0 20 25 2 0 0 0 21 22 1 0 0 0 22 5 1 0 0 0 23 26 2 0 0 0 24 2 1 0 0 0 25 21 1 0 0 0 26 18 1 0 0 0 27 17 2 0 0 0 28 19 1 0 0 0 29 16 1 0 0 0 30 28 1 0 0 0 31 28 2 0 0 0 32 31 1 0 0 0 33 30 2 0 0 0 34 32 2 0 0 0 27 23 1 0 0 0 10 7 2 0 0 0 33 34 1 0 0 0 13 12 1 0 0 0 M END > 8.95860731484177 > 5.62893213772826 $$$$ 11280715312D 1 1.00000 0.00000 0 28 29 0 1 0 999 V2000 1.7625 -3.2375 0.0000 S 0 0 3 0 0 0 0 0 0 1.7625 -3.8375 0.0000 N 0 0 3 0 0 0 0 0 0 1.2792 -4.1875 0.0000 C 0 0 1 0 0 0 0 0 0 0.7042 -4.0042 0.0000 C 0 0 0 0 0 0 0 0 0 2.2500 -4.1875 0.0000 C 0 0 0 0 0 0 0 0 0 3.0125 -5.1792 0.0000 C 0 0 0 0 0 0 0 0 0 1.4625 -4.7625 0.0000 C 0 0 0 0 0 0 0 0 0 2.2792 -2.9375 0.0000 C 0 0 0 0 0 0 0 0 0 2.4167 -5.2417 0.0000 N 0 0 0 0 0 0 0 0 0 2.0625 -4.7625 0.0000 C 0 0 2 0 0 0 0 0 0 1.1792 -3.0792 0.0000 O 0 0 0 0 0 0 0 0 0 1.7542 -2.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0.5792 -3.4167 0.0000 O 0 0 0 0 0 0 0 0 0 3.2750 -4.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0.2625 -4.4042 0.0000 N 0 0 0 0 0 0 0 0 0 3.3667 -5.6667 0.0000 C 0 0 1 0 0 0 0 0 0 2.8042 -3.2375 0.0000 C 0 0 0 0 0 0 0 0 0 2.2792 -2.3375 0.0000 C 0 0 0 0 0 0 0 0 0 3.3250 -2.3375 0.0000 C 0 0 0 0 0 0 0 0 0 2.8000 -2.0375 0.0000 C 0 0 0 0 0 0 0 0 0 3.3250 -2.9375 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3083 -4.2167 0.0000 O 0 0 0 0 0 0 0 0 0 3.1167 -6.2167 0.0000 O 0 0 0 0 0 0 0 0 0 3.8417 -2.0375 0.0000 O 0 0 0 0 0 0 0 0 0 3.9625 -5.6042 0.0000 C 0 0 0 0 0 0 0 0 0 4.3625 -2.3292 0.0000 C 0 0 0 0 0 0 0 0 0 4.8792 -2.0292 0.0000 C 0 0 0 0 0 0 0 0 0 5.4000 -2.3292 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 2 1 0 0 0 6 9 1 0 0 0 3 7 1 6 0 0 8 1 1 0 0 0 10 9 1 1 0 0 10 5 1 0 0 0 11 1 2 0 0 0 12 1 2 0 0 0 13 4 2 0 0 0 14 6 2 0 0 0 15 4 1 0 0 0 16 6 1 0 0 0 17 8 2 0 0 0 18 8 1 0 0 0 19 20 1 0 0 0 20 18 2 0 0 0 21 17 1 0 0 0 22 15 1 0 0 0 16 23 1 6 0 0 24 19 1 0 0 0 25 16 1 0 0 0 26 24 1 0 0 0 27 26 1 0 0 0 28 27 1 0 0 0 19 21 2 0 0 0 10 7 1 0 0 0 M END > 9 > 6.85387196432176 $$$$ 11280715022D 1 1.00000 0.00000 0 28 30 0 1 0 999 V2000 2.9292 -1.2750 0.0000 S 0 0 3 0 0 0 0 0 0 2.2125 -0.8625 0.0000 N 0 0 0 0 0 0 0 0 0 1.4917 -1.2750 0.0000 C 0 0 1 0 0 0 0 0 0 0.7792 -0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 3.6417 -0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 3.5125 -1.8625 0.0000 O 0 0 0 0 0 0 0 0 0 2.3417 -1.8625 0.0000 O 0 0 0 0 0 0 0 0 0 5.0750 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 5.7875 0.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0.7792 -0.0292 0.0000 O 0 0 0 0 0 0 0 0 0 1.5000 -2.1000 0.0000 C 0 0 3 0 0 0 0 0 0 3.6417 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 4.3542 -1.2750 0.0000 C 0 0 0 0 0 0 0 0 0 4.3542 0.3750 0.0000 C 0 0 0 0 0 0 0 0 0 5.0750 -0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 6.5000 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 5.7792 1.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0.0667 -1.2750 0.0000 O 0 0 0 0 0 0 0 0 0 7.2042 1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 7.2125 0.3833 0.0000 C 0 0 0 0 0 0 0 0 0 6.4875 1.6208 0.0000 C 0 0 0 0 0 0 0 0 0 7.9167 1.6250 0.0000 O 0 0 0 0 0 0 0 0 0 2.2125 -2.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0.7792 -2.5125 0.0000 C 0 0 0 0 0 0 0 0 0 8.6375 1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 2.2042 -3.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0.7792 -3.3292 0.0000 C 0 0 0 0 0 0 0 0 0 1.4917 -3.7417 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 6 0 0 4 3 1 0 0 0 5 1 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 15 1 0 0 0 9 8 1 0 0 0 10 4 2 0 0 0 11 3 1 0 0 0 12 5 2 0 0 0 13 5 1 0 0 0 14 12 1 0 0 0 15 13 2 0 0 0 16 9 2 0 0 0 17 9 1 0 0 0 18 4 1 0 0 0 19 21 1 0 0 0 20 16 1 0 0 0 21 17 2 0 0 0 22 19 1 0 0 0 23 11 1 0 0 0 24 11 1 0 0 0 25 22 1 0 0 0 26 23 1 0 0 0 27 24 1 0 0 0 28 27 1 0 0 0 14 8 2 0 0 0 26 28 1 0 0 0 20 19 2 0 0 0 M END > 7.36653154442041 > 5.36151074304536 $$$$ 11280715232D 1 1.00000 0.00000 0 28 29 0 0 0 999 V2000 5.1125 -3.0667 0.0000 S 0 0 3 0 0 0 0 0 0 5.8292 -3.4542 0.0000 C 0 0 0 0 0 0 0 0 0 4.4167 -2.6625 0.0000 N 0 0 3 0 0 0 0 0 0 5.8417 -4.2750 0.0000 C 0 0 0 0 0 0 0 0 0 6.5167 -3.0375 0.0000 C 0 0 0 0 0 0 0 0 0 7.2292 -3.4167 0.0000 C 0 0 0 0 0 0 0 0 0 6.5625 -4.6625 0.0000 C 0 0 0 0 0 0 0 0 0 7.2542 -4.2417 0.0000 C 0 0 0 0 0 0 0 0 0 3.7042 -3.0667 0.0000 C 0 0 3 0 0 0 0 0 0 3.0042 -2.6625 0.0000 C 0 0 0 0 0 0 0 0 0 5.8167 -2.3417 0.0000 O 0 0 0 0 0 0 0 0 0 4.3750 -3.7792 0.0000 O 0 0 0 0 0 0 0 0 0 4.4167 -1.8500 0.0000 C 0 0 0 0 0 0 0 0 0 2.2917 -3.0667 0.0000 O 0 0 0 0 0 0 0 0 0 6.5000 -2.2167 0.0000 F 0 0 0 0 0 0 0 0 0 5.1417 -4.6875 0.0000 F 0 0 0 0 0 0 0 0 0 3.0042 -1.8500 0.0000 N 0 0 0 0 0 0 0 0 0 6.5792 -5.4792 0.0000 F 0 0 0 0 0 0 0 0 0 7.9250 -2.9917 0.0000 F 0 0 0 0 0 0 0 0 0 7.9667 -4.6292 0.0000 F 0 0 0 0 0 0 0 0 0 5.1125 -1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 3.7042 -3.8792 0.0000 C 0 0 0 0 0 0 0 0 0 2.2917 -1.4417 0.0000 O 0 0 0 0 0 0 0 0 0 5.1125 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 5.8250 -1.8500 0.0000 C 0 0 0 0 0 0 0 0 0 6.5292 -1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 5.8167 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 6.5292 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 2 2 0 0 0 5 2 1 0 0 0 6 5 2 0 0 0 7 4 1 0 0 0 8 6 1 0 0 0 9 3 1 0 0 0 10 9 1 0 0 0 11 1 2 0 0 0 12 1 2 0 0 0 13 3 1 0 0 0 14 10 2 0 0 0 15 5 1 0 0 0 16 4 1 0 0 0 17 10 1 0 0 0 18 7 1 0 0 0 19 6 1 0 0 0 20 8 1 0 0 0 21 13 1 0 0 0 22 9 1 0 0 0 23 17 1 0 0 0 24 21 1 0 0 0 25 21 2 0 0 0 26 25 1 0 0 0 27 24 2 0 0 0 28 26 2 0 0 0 7 8 2 0 0 0 28 27 1 0 0 0 M END > 8.22184874961636 > 8.22184874961636 $$$$ 11280715012D 1 1.00000 0.00000 0 43 46 0 0 0 999 V2000 2.7125 -4.2292 0.0000 S 0 0 3 0 0 0 0 0 0 1.9917 -3.8167 0.0000 N 0 0 0 0 0 0 0 0 0 1.2792 -4.2292 0.0000 C 0 0 3 0 0 0 0 0 0 -0.1500 -6.6917 0.0000 N 0 0 3 0 0 0 0 0 0 -0.8708 -6.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0.5667 -3.8167 0.0000 C 0 0 0 0 0 0 0 0 0 1.2792 -5.0542 0.0000 C 0 0 3 0 0 0 0 0 0 0.5625 -6.2792 0.0000 C 0 0 3 0 0 0 0 0 0 3.4292 -3.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0.5625 -5.4625 0.0000 C 0 0 0 0 0 0 0 0 0 2.1250 -4.8125 0.0000 O 0 0 0 0 0 0 0 0 0 3.2917 -4.8125 0.0000 O 0 0 0 0 0 0 0 0 0 -0.1583 -7.5167 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8625 -5.4542 0.0000 O 0 0 0 0 0 0 0 0 0 4.8542 -2.9875 0.0000 C 0 0 0 0 0 0 0 0 0 5.5667 -2.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0.5625 -2.9917 0.0000 O 0 0 0 0 0 0 0 0 0 3.4292 -2.9875 0.0000 C 0 0 0 0 0 0 0 0 0 4.1417 -4.2292 0.0000 C 0 0 0 0 0 0 0 0 0 4.1417 -2.5750 0.0000 C 0 0 0 0 0 0 0 0 0 4.8542 -3.8167 0.0000 C 0 0 0 0 0 0 0 0 0 6.2792 -2.9792 0.0000 C 0 0 0 0 0 0 0 0 0 5.5625 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5833 -6.6917 0.0000 O 0 0 0 0 0 0 0 0 0 -0.1500 -4.2292 0.0000 O 0 0 0 0 0 0 0 0 0 6.9917 -1.7417 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8708 -7.9292 0.0000 C 0 0 0 0 0 0 0 0 0 6.9917 -2.5667 0.0000 C 0 0 0 0 0 0 0 0 0 6.2667 -1.3292 0.0000 C 0 0 0 0 0 0 0 0 0 1.9917 -5.4542 0.0000 C 0 0 0 0 0 0 0 0 0 1.2750 -6.6917 0.0000 C 0 0 0 0 0 0 0 0 0 7.7042 -1.3250 0.0000 O 0 0 0 0 0 0 0 0 0 1.9917 -6.2792 0.0000 C 0 0 0 0 0 0 0 0 0 -3.0125 -5.0417 0.0000 O 0 0 0 0 0 0 0 0 0 -2.2958 -6.2792 0.0000 C 0 0 0 0 0 0 0 0 0 -2.3000 -5.4542 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5833 -7.5125 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8708 -8.7500 0.0000 C 0 0 0 0 0 0 0 0 0 8.4167 -1.7375 0.0000 C 0 0 0 0 0 0 0 0 0 -3.0125 -4.2167 0.0000 C 0 0 0 0 0 0 0 0 0 -2.2958 -7.9250 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5833 -9.1625 0.0000 C 0 0 0 0 0 0 0 0 0 -2.2958 -8.7500 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 8 1 0 0 0 5 4 1 0 0 0 6 3 1 0 0 0 7 3 1 0 0 0 8 10 1 0 0 0 9 1 1 0 0 0 10 7 1 0 0 0 11 1 2 0 0 0 12 1 2 0 0 0 13 4 1 0 0 0 14 5 2 0 0 0 15 21 1 0 0 0 16 15 1 0 0 0 17 6 2 0 0 0 18 9 2 0 0 0 19 9 1 0 0 0 20 18 1 0 0 0 21 19 2 0 0 0 22 16 2 0 0 0 23 16 1 0 0 0 24 5 1 0 0 0 25 6 1 0 0 0 26 29 1 0 0 0 27 13 1 0 0 0 28 22 1 0 0 0 29 23 2 0 0 0 30 7 1 0 0 0 31 33 1 0 0 0 32 26 1 0 0 0 33 30 1 0 0 0 34 36 1 0 0 0 35 24 1 0 0 0 36 35 1 0 0 0 37 27 2 0 0 0 38 27 1 0 0 0 39 32 1 0 0 0 40 34 1 0 0 0 41 37 1 0 0 0 42 38 2 0 0 0 43 42 1 0 0 0 15 20 2 0 0 0 8 31 1 0 0 0 28 26 2 0 0 0 41 43 2 0 0 0 M END > 7.79588001734407 > 5.27164621797877 $$$$ 11280715532D 1 1.00000 0.00000 0 34 36 0 0 0 999 V2000 14.0825 -16.4090 0.0000 C 0 0 0 0 0 0 0 0 0 14.0825 -17.2378 0.0000 C 0 0 0 0 0 0 0 0 0 14.7963 -17.6500 0.0000 N 0 0 3 0 0 0 0 0 0 15.5148 -17.2378 0.0000 C 0 0 0 0 0 0 0 0 0 15.5148 -16.4090 0.0000 C 0 0 0 0 0 0 0 0 0 14.7963 -15.9922 0.0000 C 0 0 3 0 0 0 0 0 0 14.0778 -15.5800 0.0000 C 0 0 0 0 0 0 0 0 0 15.5062 -15.5732 0.0000 C 0 0 0 0 0 0 0 0 0 15.4983 -14.7488 0.0000 S 0 0 3 0 0 0 0 0 0 15.4930 -13.9222 0.0000 C 0 0 0 0 0 0 0 0 0 14.6741 -14.7556 0.0000 O 0 0 0 0 0 0 0 0 0 16.3227 -14.7447 0.0000 O 0 0 0 0 0 0 0 0 0 14.0756 -14.7557 0.0000 O 0 0 0 0 0 0 0 0 0 13.3652 -15.9941 0.0000 N 0 0 0 0 0 0 0 0 0 12.6501 -15.5840 0.0000 O 0 0 0 0 0 0 0 0 0 16.2086 -13.5060 0.0000 C 0 0 0 0 0 0 0 0 0 16.2035 -12.6800 0.0000 C 0 0 0 0 0 0 0 0 0 15.4844 -12.2706 0.0000 C 0 0 0 0 0 0 0 0 0 14.7687 -12.6931 0.0000 C 0 0 0 0 0 0 0 0 0 14.7773 -13.5176 0.0000 C 0 0 0 0 0 0 0 0 0 15.4779 -11.4462 0.0000 O 0 0 0 0 0 0 0 0 0 16.1885 -11.0284 0.0000 C 0 0 0 0 0 0 0 0 0 16.1820 -10.2041 0.0000 C 0 0 0 0 0 0 0 0 0 16.1754 -9.3791 0.0000 C 0 0 0 0 0 0 0 0 0 16.1687 -8.5549 0.0000 C 0 0 0 0 0 0 0 0 0 14.7952 -18.4743 0.0000 C 0 0 0 0 0 0 0 0 0 14.0807 -18.8855 0.0000 C 0 0 0 0 0 0 0 0 0 15.5086 -18.8875 0.0000 O 0 0 0 0 0 0 0 0 0 14.0861 -19.7078 0.0000 N 0 0 3 0 0 0 0 0 0 13.3743 -20.1186 0.0000 C 0 0 0 0 0 0 0 0 0 13.3777 -20.9373 0.0000 C 0 0 0 0 0 0 0 0 0 14.0908 -21.3477 0.0000 O 0 0 0 0 0 0 0 0 0 14.8022 -20.9331 0.0000 C 0 0 0 0 0 0 0 0 0 14.8004 -20.1081 0.0000 C 0 0 0 0 0 0 0 0 0 16 17 1 0 0 0 1 6 1 0 0 0 17 18 2 0 0 0 8 9 1 0 0 0 18 19 1 0 0 0 2 3 1 0 0 0 19 20 2 0 0 0 20 10 1 0 0 0 9 10 1 0 0 0 18 21 1 0 0 0 3 4 1 0 0 0 21 22 1 0 0 0 9 11 2 0 0 0 22 23 1 0 0 0 4 5 1 0 0 0 23 24 3 0 0 0 9 12 2 0 0 0 24 25 1 0 0 0 5 6 1 0 0 0 3 26 1 0 0 0 7 13 2 0 0 0 26 27 1 0 0 0 26 28 2 0 0 0 7 14 1 0 0 0 27 29 1 0 0 0 29 30 1 0 0 0 6 7 1 0 0 0 14 15 1 0 0 0 1 2 1 0 0 0 10 16 2 0 0 0 6 8 1 0 0 0 29 34 1 0 0 0 30 31 1 0 0 0 31 32 1 0 0 0 32 33 1 0 0 0 33 34 1 0 0 0 M END > 7.16115090926274 > 5.20273245916928 $$$$ 11280715322D 1 1.00000 0.00000 0 26 27 0 1 0 999 V2000 3.7292 -2.6625 0.0000 N 0 0 3 0 0 0 0 0 0 3.7292 -2.0625 0.0000 S 0 0 3 0 0 0 0 0 0 3.2500 -3.0125 0.0000 C 0 0 2 0 0 0 0 0 0 4.9792 -4.0042 0.0000 S 0 0 3 0 0 0 0 0 0 4.0292 -3.5875 0.0000 C 0 0 2 0 0 0 0 0 0 4.2167 -3.0125 0.0000 C 0 0 0 0 0 0 0 0 0 3.4292 -3.5875 0.0000 C 0 0 0 0 0 0 0 0 0 4.3875 -4.0667 0.0000 N 0 0 3 0 0 0 0 0 0 2.6792 -2.8292 0.0000 C 0 0 0 0 0 0 0 0 0 4.2542 -1.7625 0.0000 C 0 0 0 0 0 0 0 0 0 3.1500 -1.9042 0.0000 O 0 0 0 0 0 0 0 0 0 3.7250 -1.4625 0.0000 O 0 0 0 0 0 0 0 0 0 4.9792 -3.4042 0.0000 O 0 0 0 0 0 0 0 0 0 5.5625 -3.8500 0.0000 O 0 0 0 0 0 0 0 0 0 2.5542 -2.2417 0.0000 O 0 0 0 0 0 0 0 0 0 2.2292 -3.2292 0.0000 N 0 0 0 0 0 0 0 0 0 4.7750 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 4.2542 -1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 5.3375 -4.4917 0.0000 C 0 0 0 0 0 0 0 0 0 5.2917 -1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 5.2917 -1.7625 0.0000 C 0 0 0 0 0 0 0 0 0 4.7667 -0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 1.6625 -3.0417 0.0000 O 0 0 0 0 0 0 0 0 0 4.1417 -4.6167 0.0000 C 0 0 0 0 0 0 0 0 0 5.8125 -0.8625 0.0000 O 0 0 0 0 0 0 0 0 0 6.3292 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 8 1 0 0 0 5 6 1 0 0 0 6 1 1 0 0 0 3 7 1 6 0 0 5 8 1 1 0 0 9 3 1 0 0 0 10 2 1 0 0 0 11 2 2 0 0 0 12 2 2 0 0 0 13 4 2 0 0 0 14 4 2 0 0 0 15 9 2 0 0 0 16 9 1 0 0 0 17 10 2 0 0 0 18 10 1 0 0 0 19 4 1 0 0 0 20 22 1 0 0 0 21 17 1 0 0 0 22 18 2 0 0 0 23 16 1 0 0 0 24 8 1 0 0 0 25 20 1 0 0 0 26 25 1 0 0 0 5 7 1 0 0 0 20 21 2 0 0 0 M END > 9.30102999566398 > 7.72124639904717 $$$$ 11280715322D 1 1.00000 0.00000 0 33 35 0 1 0 999 V2000 0.0167 -2.0292 0.0000 N 0 0 3 0 0 0 0 0 0 0.0167 -1.4292 0.0000 S 0 0 3 0 0 0 0 0 0 0.6667 -3.4417 0.0000 N 0 0 3 0 0 0 0 0 0 1.2750 -3.4417 0.0000 C 0 0 0 0 0 0 0 0 0 -0.4708 -2.3792 0.0000 C 0 0 2 0 0 0 0 0 0 0.4875 -4.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0.3167 -2.9542 0.0000 C 0 0 2 0 0 0 0 0 0 1.4542 -4.0042 0.0000 N 0 0 3 0 0 0 0 0 0 0.5042 -2.3792 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2833 -2.9542 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0375 -2.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0.9750 -4.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0.5375 -1.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0.0125 -0.8292 0.0000 O 0 0 0 0 0 0 0 0 0 -0.5708 -1.2750 0.0000 O 0 0 0 0 0 0 0 0 0 1.6250 -2.9542 0.0000 O 0 0 0 0 0 0 0 0 0 0.0250 -4.2042 0.0000 O 0 0 0 0 0 0 0 0 0 -1.1625 -1.6125 0.0000 O 0 0 0 0 0 0 0 0 0 -1.4833 -2.6000 0.0000 N 0 0 0 0 0 0 0 0 0 0.5375 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 1.0542 -1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 2.1542 -4.7792 0.0000 C 0 0 0 0 0 0 0 0 0 2.0292 -4.1917 0.0000 C 0 0 0 0 0 0 0 0 0 2.7250 -4.9667 0.0000 C 0 0 0 0 0 0 0 0 0 1.5792 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 1.0542 -0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 1.5792 -1.1292 0.0000 C 0 0 0 0 0 0 0 0 0 -2.0583 -2.4167 0.0000 O 0 0 0 0 0 0 0 0 0 2.0917 -0.2292 0.0000 O 0 0 0 0 0 0 0 0 0 3.6500 -0.5167 0.0000 O 0 0 0 0 0 0 0 0 0 2.6167 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 3.1292 -0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 4.1667 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 7 3 1 1 0 0 4 3 1 0 0 0 5 1 1 0 0 0 6 3 1 0 0 0 7 9 1 0 0 0 8 4 1 0 0 0 9 1 1 0 0 0 5 10 1 6 0 0 11 5 1 0 0 0 12 6 1 0 0 0 13 2 1 0 0 0 14 2 2 0 0 0 15 2 2 0 0 0 16 4 2 0 0 0 17 6 2 0 0 0 18 11 2 0 0 0 19 11 1 0 0 0 20 13 1 0 0 0 21 13 2 0 0 0 22 23 1 0 0 0 23 8 1 0 0 0 24 22 2 0 0 0 25 27 2 0 0 0 26 20 2 0 0 0 27 21 1 0 0 0 28 19 1 0 0 0 29 25 1 0 0 0 30 32 1 0 0 0 31 29 1 0 0 0 32 31 1 0 0 0 33 30 1 0 0 0 7 10 1 0 0 0 25 26 1 0 0 0 8 12 1 0 0 0 M END > 8.69897000433602 > 5.53760200210104 $$$$ 11280715432D 1 1.00000 0.00000 0 27 28 0 0 0 999 V2000 -0.6750 1.0000 0.0000 S 0 0 3 0 0 0 0 0 0 -0.6833 0.1708 0.0000 N 0 0 3 0 0 0 0 0 0 -1.4333 -0.1792 0.0000 C 0 0 3 0 0 0 0 0 0 -1.1083 -1.6375 0.0000 S 0 0 3 0 0 0 0 0 0 -1.6208 -0.9917 0.0000 C 0 0 0 0 0 0 0 0 0 -2.0708 0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0.1542 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5083 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 -0.6833 1.8250 0.0000 O 0 0 0 0 0 0 0 0 0 2.6375 -0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 3.0542 -1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7083 -2.3542 0.0000 O 0 0 0 0 0 0 0 0 0 -1.9375 -1.6375 0.0000 O 0 0 0 0 0 0 0 0 0 -2.0750 1.1708 0.0000 O 0 0 0 0 0 0 0 0 0 -2.8208 -0.0125 0.0000 N 0 0 0 0 0 0 0 0 0 -0.2833 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0.0625 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0.5625 1.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0.5625 0.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0.2417 -1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 1.8042 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 1.3917 1.7125 0.0000 C 0 0 0 0 0 0 0 0 0 1.3917 0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 -3.5083 0.4625 0.0000 O 0 0 0 0 0 0 0 0 0 3.0542 0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 2.6375 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 3.4625 -1.8792 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 5 1 0 0 0 5 3 1 0 0 0 6 3 1 0 0 0 7 1 1 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 25 1 0 0 0 11 10 3 0 0 0 12 4 2 0 0 0 13 4 2 0 0 0 14 6 2 0 0 0 15 6 1 0 0 0 16 20 1 0 0 0 17 2 1 0 0 0 18 7 1 0 0 0 19 7 2 0 0 0 20 17 1 0 0 0 21 23 2 0 0 0 22 18 2 0 0 0 23 19 1 0 0 0 24 15 1 0 0 0 25 26 1 0 0 0 26 21 1 0 0 0 27 11 1 0 0 0 21 22 1 0 0 0 16 4 1 0 0 0 M END > 6.50723961097316 > 6.47625353318844 $$$$ 11280714542D 1 1.00000 0.00000 0 31 33 0 0 0 999 V2000 2.7792 1.0208 0.0000 S 0 0 3 0 0 0 0 0 0 2.0792 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 2.0667 0.6000 0.0000 N 0 0 3 0 0 0 0 0 0 1.3667 -0.6375 0.0000 C 0 0 0 0 0 0 0 0 0 2.7917 -0.6375 0.0000 C 0 0 0 0 0 0 0 0 0 2.0792 -1.8792 0.0000 N 0 0 0 0 0 0 0 0 0 2.7917 -1.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0.6542 -0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 1.3667 -1.4667 0.0000 C 0 0 0 0 0 0 0 0 0 3.5000 1.4250 0.0000 C 0 0 0 0 0 0 0 0 0 3.1917 0.3083 0.0000 O 0 0 0 0 0 0 0 0 0 2.3667 1.7375 0.0000 O 0 0 0 0 0 0 0 0 0 7.0875 2.6208 0.0000 C 0 0 0 0 0 0 0 0 0 7.8000 3.0458 0.0000 C 0 0 0 0 0 0 0 0 0 3.5125 -1.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0.6542 0.5958 0.0000 O 0 0 0 0 0 0 0 0 0 -0.0625 -0.6417 0.0000 N 0 0 0 0 0 0 0 0 0 4.2042 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 3.5042 2.2458 0.0000 C 0 0 0 0 0 0 0 0 0 3.5042 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 1.3542 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 3.5125 -2.7000 0.0000 Br 0 0 0 0 0 0 0 0 0 4.9375 2.2333 0.0000 C 0 0 0 0 0 0 0 0 0 4.9292 1.4083 0.0000 C 0 0 0 0 0 0 0 0 0 4.2250 2.6500 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7750 -0.2292 0.0000 O 0 0 0 0 0 0 0 0 0 6.3667 2.2208 0.0000 C 0 0 0 0 0 0 0 0 0 5.6542 2.6333 0.0000 O 0 0 0 0 0 0 0 0 0 8.5125 3.4583 0.0000 C 0 0 0 0 0 0 0 0 0 4.2167 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 4.2250 -1.4542 0.0000 C 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 3 1 1 0 0 0 4 2 1 0 0 0 5 2 2 0 0 0 6 7 2 0 0 0 7 5 1 0 0 0 8 4 1 0 0 0 9 4 2 0 0 0 10 1 1 0 0 0 11 1 2 0 0 0 12 1 2 0 0 0 13 27 1 0 0 0 14 13 3 0 0 0 15 7 1 0 0 0 16 8 2 0 0 0 17 8 1 0 0 0 18 10 2 0 0 0 19 10 1 0 0 0 20 5 1 0 0 0 21 3 1 0 0 0 22 15 1 0 0 0 23 25 1 0 0 0 24 18 1 0 0 0 25 19 2 0 0 0 26 17 1 0 0 0 27 28 1 0 0 0 28 23 1 0 0 0 29 14 1 0 0 0 30 20 2 0 0 0 31 30 1 0 0 0 23 24 2 0 0 0 6 9 1 0 0 0 31 15 2 0 0 0 M END > 7.56863623584101 > 6.0195421077239 $$$$ 11280715102D 1 1.00000 0.00000 0 42 45 0 0 0 999 V2000 3.5292 -5.7042 0.0000 S 0 0 3 0 0 0 0 0 0 2.9417 -5.5417 0.0000 N 0 0 3 0 0 0 0 0 0 2.4292 -5.8542 0.0000 C 0 0 3 0 0 0 0 0 0 2.4042 -7.6417 0.0000 N 0 0 3 0 0 0 0 0 0 2.4042 -8.2417 0.0000 C 0 0 0 0 0 0 0 0 0 1.9042 -5.5542 0.0000 C 0 0 0 0 0 0 0 0 0 4.1042 -5.5417 0.0000 C 0 0 0 0 0 0 0 0 0 2.9375 -4.9292 0.0000 C 0 0 0 0 0 0 0 0 0 3.7792 -5.1792 0.0000 O 0 0 0 0 0 0 0 0 0 3.6792 -6.2792 0.0000 O 0 0 0 0 0 0 0 0 0 2.4167 -6.4542 0.0000 C 0 0 3 0 0 0 0 0 0 1.8917 -7.3417 0.0000 C 0 0 0 0 0 0 0 0 0 2.9292 -7.3542 0.0000 C 0 0 0 0 0 0 0 0 0 1.8792 -8.5417 0.0000 O 0 0 0 0 0 0 0 0 0 5.1417 -4.9417 0.0000 C 0 0 0 0 0 0 0 0 0 5.6542 -4.6292 0.0000 C 0 0 0 0 0 0 0 0 0 2.9292 -3.8667 0.0000 N 0 0 0 0 0 0 0 0 0 1.9042 -4.9417 0.0000 O 0 0 0 0 0 0 0 0 0 4.1042 -4.9417 0.0000 C 0 0 0 0 0 0 0 0 0 4.6167 -5.8417 0.0000 C 0 0 0 0 0 0 0 0 0 2.9292 -6.7542 0.0000 C 0 0 0 0 0 0 0 0 0 1.8917 -6.7417 0.0000 C 0 0 0 0 0 0 0 0 0 3.2417 -4.4000 0.0000 C 0 0 0 0 0 0 0 0 0 4.6167 -4.6417 0.0000 C 0 0 0 0 0 0 0 0 0 5.1417 -5.5417 0.0000 C 0 0 0 0 0 0 0 0 0 6.1792 -4.9292 0.0000 C 0 0 0 0 0 0 0 0 0 5.6417 -4.0417 0.0000 C 0 0 0 0 0 0 0 0 0 2.9167 -8.5417 0.0000 O 0 0 0 0 0 0 0 0 0 1.3792 -5.8542 0.0000 O 0 0 0 0 0 0 0 0 0 6.6792 -4.0167 0.0000 C 0 0 0 0 0 0 0 0 0 6.6917 -4.6167 0.0000 C 0 0 0 0 0 0 0 0 0 6.1542 -3.7292 0.0000 C 0 0 0 0 0 0 0 0 0 7.1917 -3.7167 0.0000 O 0 0 0 0 0 0 0 0 0 4.4667 -8.2417 0.0000 O 0 0 0 0 0 0 0 0 0 3.2292 -3.3375 0.0000 C 0 0 0 0 0 0 0 0 0 3.4292 -8.2417 0.0000 C 0 0 0 0 0 0 0 0 0 3.8542 -4.3917 0.0000 C 0 0 0 0 0 0 0 0 0 3.9542 -8.5417 0.0000 C 0 0 0 0 0 0 0 0 0 7.7792 -3.8667 0.0000 C 0 0 0 0 0 0 0 0 0 4.9917 -8.5417 0.0000 C 0 0 0 0 0 0 0 0 0 3.8500 -3.3292 0.0000 C 0 0 0 0 0 0 0 0 0 4.1542 -3.8625 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 12 1 0 0 0 5 4 1 0 0 0 6 3 1 0 0 0 7 1 1 0 0 0 8 2 1 0 0 0 9 1 2 0 0 0 10 1 2 0 0 0 11 3 1 0 0 0 12 22 1 0 0 0 13 21 1 0 0 0 14 5 2 0 0 0 15 25 2 0 0 0 16 15 1 0 0 0 17 23 1 0 0 0 18 6 2 0 0 0 19 7 1 0 0 0 20 7 2 0 0 0 21 11 1 0 0 0 22 11 1 0 0 0 23 8 1 0 0 0 24 19 2 0 0 0 25 20 1 0 0 0 26 16 2 0 0 0 27 16 1 0 0 0 28 5 1 0 0 0 29 6 1 0 0 0 30 32 1 0 0 0 31 26 1 0 0 0 32 27 2 0 0 0 33 30 1 0 0 0 34 38 1 0 0 0 35 17 2 0 0 0 36 28 1 0 0 0 37 23 2 0 0 0 38 36 1 0 0 0 39 33 1 0 0 0 40 34 1 0 0 0 41 42 2 0 0 0 42 37 1 0 0 0 15 24 1 0 0 0 13 4 1 0 0 0 35 41 1 0 0 0 31 30 2 0 0 0 M END > 8.52287874528034 > 5.48017200622428 $$$$ 11280715482D 1 1.00000 0.00000 0 26 27 0 0 0 999 V2000 2.7792 -1.3000 0.0000 S 0 0 3 0 0 0 0 0 0 1.9542 -1.3417 0.0000 N 0 0 3 0 0 0 0 0 0 1.5042 -0.6417 0.0000 C 0 0 3 0 0 0 0 0 0 1.8875 0.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0.6875 -0.6792 0.0000 C 0 0 3 0 0 0 0 0 0 3.6000 -1.2625 0.0000 C 0 0 0 0 0 0 0 0 0 2.7750 -2.1250 0.0000 O 0 0 0 0 0 0 0 0 0 2.7750 -0.4750 0.0000 O 0 0 0 0 0 0 0 0 0 6.1417 -2.5667 0.0000 C 0 0 0 0 0 0 0 0 0 5.7292 -3.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0.3042 -1.4125 0.0000 S 0 0 0 0 0 0 0 0 0 1.5792 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0 2.6792 0.3083 0.0000 O 0 0 0 0 0 0 0 0 0 1.3667 0.7333 0.0000 N 0 0 0 0 0 0 0 0 0 4.0417 -1.9542 0.0000 C 0 0 0 0 0 0 0 0 0 3.9792 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0.7542 -2.1042 0.0000 C 0 0 0 0 0 0 0 0 0 5.2500 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 4.8667 -1.9167 0.0000 C 0 0 0 0 0 0 0 0 0 4.8042 -0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 1.6667 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 6.5250 -1.8292 0.0000 C 0 0 0 0 0 0 0 0 0 6.0750 -1.1417 0.0000 O 0 0 0 0 0 0 0 0 0 -0.1125 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 1.0917 0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 5.3125 -3.9917 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 3 1 0 0 0 6 1 1 0 0 0 7 1 2 0 0 0 8 1 2 0 0 0 9 22 1 0 0 0 10 9 3 0 0 0 11 17 1 0 0 0 12 2 1 0 0 0 13 4 2 0 0 0 14 4 1 0 0 0 15 6 1 0 0 0 16 6 2 0 0 0 17 12 1 0 0 0 18 20 2 0 0 0 19 15 2 0 0 0 20 16 1 0 0 0 21 14 1 0 0 0 22 23 1 0 0 0 23 18 1 0 0 0 24 5 1 0 0 0 25 5 1 0 0 0 26 10 1 0 0 0 19 18 1 0 0 0 5 11 1 0 0 0 M END > 8.52287874528034 > 8.15490195998574 $$$$ 11280715452D 1 1.00000 0.00000 0 31 33 0 1 0 999 V2000 -0.5500 -0.6000 0.0000 S 0 0 3 0 0 0 0 0 0 -0.5500 0.2250 0.0000 N 0 0 3 0 0 0 0 0 0 0.1625 0.6333 0.0000 C 0 0 1 0 0 0 0 0 0 0.8750 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5583 -1.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0.1625 1.4583 0.0000 C 0 0 2 0 0 0 0 0 0 0.2750 -0.6000 0.0000 O 0 0 0 0 0 0 0 0 0 -1.3750 -0.5917 0.0000 O 0 0 0 0 0 0 0 0 0 1.5542 -4.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0.8417 -3.8917 0.0000 C 0 0 0 0 0 0 0 0 0 2.2667 -3.8917 0.0000 C 0 0 0 0 0 0 0 0 0 1.2792 -0.4917 0.0000 O 0 0 0 0 0 0 0 0 0 1.5875 0.6375 0.0000 N 0 0 0 0 0 0 0 0 0 0.1292 -4.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0.8375 -3.0667 0.0000 C 0 0 0 0 0 0 0 0 0 -1.2583 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 -1.2750 -1.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0.1500 -1.8375 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5833 -3.8917 0.0000 O 0 0 0 0 0 0 0 0 0 2.2667 -3.0667 0.0000 C 0 0 0 0 0 0 0 0 0 1.5542 -5.1292 0.0000 Cl 0 0 0 0 0 0 0 0 0 -0.5750 -3.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0.1542 2.2833 0.0000 O 0 0 0 0 0 0 0 0 0 1.5500 -2.6542 0.0000 C 0 0 0 0 0 0 0 0 0 -1.2833 -2.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0.1417 -2.6625 0.0000 C 0 0 0 0 0 0 0 0 0 2.9792 -2.6542 0.0000 F 0 0 0 0 0 0 0 0 0 2.3000 0.2250 0.0000 O 0 0 0 0 0 0 0 0 0 -0.5500 1.8750 0.0000 C 0 0 0 0 0 0 0 0 0 -1.2583 1.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0.9542 1.6750 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 3 4 1 6 0 0 5 1 1 0 0 0 6 3 1 0 0 0 7 1 2 0 0 0 8 1 2 0 0 0 9 10 2 0 0 0 10 14 1 0 0 0 11 9 1 0 0 0 12 4 2 0 0 0 13 4 1 0 0 0 14 19 1 0 0 0 15 10 1 0 0 0 16 2 1 0 0 0 17 5 2 0 0 0 18 5 1 0 0 0 19 22 1 0 0 0 20 24 1 0 0 0 21 9 1 0 0 0 22 26 1 0 0 0 6 23 1 1 0 0 24 15 2 0 0 0 25 17 1 0 0 0 26 18 2 0 0 0 27 20 1 0 0 0 28 13 1 0 0 0 29 30 1 0 0 0 30 16 1 0 0 0 6 31 1 6 0 0 22 25 2 0 0 0 29 6 1 0 0 0 20 11 2 0 0 0 M END > 9.04575749056067 > 6.50863830616573 $$$$ 11280715202D 1 1.00000 0.00000 0 28 30 0 0 0 999 V2000 -1.3375 2.1125 0.0000 S 0 0 3 0 0 0 0 0 0 -2.7833 2.1250 0.0000 C 0 0 3 0 0 0 0 0 0 -2.0625 2.5458 0.0000 N 0 0 0 0 0 0 0 0 0 -3.5000 2.5458 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6125 1.6875 0.0000 C 0 0 0 0 0 0 0 0 0 -0.9083 2.8458 0.0000 O 0 0 0 0 0 0 0 0 0 -1.6208 1.3875 0.0000 O 0 0 0 0 0 0 0 0 0 -3.5000 3.3833 0.0000 O 0 0 0 0 0 0 0 0 0 -4.2208 2.1250 0.0000 N 0 0 0 0 0 0 0 0 0 -3.5083 1.7083 0.0000 C 0 0 0 0 0 0 0 0 0 -2.0583 1.7083 0.0000 C 0 0 0 0 0 0 0 0 0 -2.7833 0.4500 0.0000 O 0 0 0 0 0 0 0 0 0 1.5417 0.4375 0.0000 O 0 0 0 0 0 0 0 0 0 -0.6125 0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0.1042 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0.8250 0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 1.5417 -0.3917 0.0000 C 0 0 0 0 0 0 0 0 0 1.5417 -2.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0.8250 1.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0.1042 0.4333 0.0000 C 0 0 0 0 0 0 0 0 0 1.5417 -2.8792 0.0000 F 0 0 0 0 0 0 0 0 0 -4.2208 1.2958 0.0000 O 0 0 0 0 0 0 0 0 0 2.2542 -0.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0.8167 -0.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0.8167 -1.6375 0.0000 C 0 0 0 0 0 0 0 0 0 2.2667 -1.6292 0.0000 C 0 0 0 0 0 0 0 0 0 -2.0625 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 -3.5083 0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 3 1 1 0 0 0 4 2 1 0 0 0 5 1 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 4 2 0 0 0 9 4 1 0 0 0 10 2 1 0 0 0 11 2 1 0 0 0 12 27 1 0 0 0 13 16 1 0 0 0 14 5 2 0 0 0 15 5 1 0 0 0 16 19 1 0 0 0 17 13 1 0 0 0 18 25 2 0 0 0 19 15 2 0 0 0 20 14 1 0 0 0 21 18 1 0 0 0 22 9 1 0 0 0 23 17 1 0 0 0 24 17 2 0 0 0 25 24 1 0 0 0 26 23 2 0 0 0 27 11 1 0 0 0 28 10 1 0 0 0 16 20 2 0 0 0 12 28 1 0 0 0 18 26 1 0 0 0 M END > 9.1249387366083 > 6.53760200210104 $$$$ Mrv0541 04051115152D 21 21 0 0 0 0 999 V2000 -0.8081 1.1430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8081 1.9680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0936 2.3805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6208 1.9680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6208 1.1430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0936 0.7305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0936 3.2055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6208 3.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0936 -0.0945 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.7314 -0.0945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9186 -0.0945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0936 -0.9195 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6208 -1.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8081 -1.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8081 -2.1570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5226 -2.5695 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5226 -3.3945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0936 -2.5695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3353 -0.9195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3353 -0.0945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0498 -1.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 7 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 9 1 0 0 0 0 8 7 1 0 0 0 0 10 9 2 0 0 0 0 11 9 2 0 0 0 0 12 9 1 0 0 0 0 13 12 1 0 0 0 0 14 12 1 0 0 0 0 19 13 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 18 2 0 0 0 0 16 17 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 M END > 8.50863830616573 > 6.7594507517174 $$$$ 11280714592D 1 1.00000 0.00000 0 26 27 0 0 0 999 V2000 6.7375 -7.5167 0.0000 N 0 3 0 0 0 0 0 0 0 7.2542 -4.8167 0.0000 N 0 3 0 0 0 0 0 0 0 6.2167 -7.8167 0.0000 C 0 0 0 0 0 0 0 0 0 5.7000 -7.5167 0.0000 C 0 0 0 0 0 0 0 0 0 5.1792 -6.6167 0.0000 N 0 0 3 0 0 0 0 0 0 5.7000 -6.9167 0.0000 S 0 0 0 0 0 0 0 0 0 4.1375 -6.6167 0.0000 C 0 0 0 0 0 0 0 0 0 4.6625 -6.9167 0.0000 C 0 0 0 0 0 0 0 0 0 6.7375 -5.1167 0.0000 C 0 0 0 0 0 0 0 0 0 7.2542 -7.8167 0.0000 O 0 5 0 0 0 0 0 0 0 7.7750 -5.1167 0.0000 O 0 5 0 0 0 0 0 0 0 6.7292 -6.9167 0.0000 O 0 0 0 0 0 0 0 0 0 7.2542 -4.2167 0.0000 O 0 0 0 0 0 0 0 0 0 3.6250 -6.9167 0.0000 O 0 0 0 0 0 0 0 0 0 4.1375 -6.0167 0.0000 N 0 0 0 0 0 0 0 0 0 5.1792 -6.0167 0.0000 C 0 0 0 0 0 0 0 0 0 6.2125 -4.8167 0.0000 C 0 0 0 0 0 0 0 0 0 6.7375 -5.7167 0.0000 C 0 0 0 0 0 0 0 0 0 5.7000 -5.7167 0.0000 C 0 0 0 0 0 0 0 0 0 5.7000 -5.1167 0.0000 C 0 0 0 0 0 0 0 0 0 6.2167 -6.0167 0.0000 C 0 0 0 0 0 0 0 0 0 6.2167 -8.4167 0.0000 C 0 0 0 0 0 0 0 0 0 3.6250 -5.7167 0.0000 O 0 0 0 0 0 0 0 0 0 5.1750 -7.8167 0.0000 C 0 0 0 0 0 0 0 0 0 5.7000 -8.7167 0.0000 C 0 0 0 0 0 0 0 0 0 5.1750 -8.4167 0.0000 C 0 0 0 0 0 0 0 0 0 2 9 1 0 0 0 3 1 1 0 0 0 4 3 1 0 0 0 5 6 1 0 0 0 6 4 1 0 0 0 7 8 1 0 0 0 8 5 1 0 0 0 9 18 2 0 0 0 10 1 1 0 0 0 11 2 1 0 0 0 12 1 2 0 0 0 13 2 2 0 0 0 14 7 2 0 0 0 15 7 1 0 0 0 16 5 1 0 0 0 17 20 2 0 0 0 18 21 1 0 0 0 19 16 1 0 0 0 20 19 1 0 0 0 21 19 2 0 0 0 22 3 2 0 0 0 23 15 1 0 0 0 24 4 2 0 0 0 25 22 1 0 0 0 26 25 2 0 0 0 24 26 1 0 0 0 9 17 1 0 0 0 M CHG 4 1 1 2 1 10 -1 11 -1 M END > 8 > 8 $$$$ 11280715212D 1 1.00000 0.00000 0 28 30 0 0 0 999 V2000 -1.5625 1.5625 0.0000 S 0 0 3 0 0 0 0 0 0 -2.9958 1.5750 0.0000 C 0 0 3 0 0 0 0 0 0 -2.2833 1.9875 0.0000 N 0 0 0 0 0 0 0 0 0 -3.7125 1.9875 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8458 1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 1.3042 -0.9292 0.0000 C 0 0 0 0 0 0 0 0 0 -1.9875 0.8458 0.0000 O 0 0 0 0 0 0 0 0 0 -1.1375 2.2833 0.0000 O 0 0 0 0 0 0 0 0 0 0.5917 -1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 2.0167 -1.3375 0.0000 N 0 0 0 0 0 0 0 0 0 -3.7125 2.8208 0.0000 O 0 0 0 0 0 0 0 0 0 1.3042 -0.1042 0.0000 O 0 0 0 0 0 0 0 0 0 -4.4250 1.5750 0.0000 N 0 0 0 0 0 0 0 0 0 -3.7208 1.1583 0.0000 C 0 0 0 0 0 0 0 0 0 -2.2833 1.1583 0.0000 C 0 0 0 0 0 0 0 0 0 -3.0000 -0.0875 0.0000 O 0 0 0 0 0 0 0 0 0 -0.8458 0.3083 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1333 1.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0.5917 -2.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0.5875 0.3083 0.0000 C 0 0 0 0 0 0 0 0 0 2.0250 -2.1542 0.0000 C 0 0 0 0 0 0 0 0 0 1.3042 -2.5750 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1333 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0.5875 1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1250 -2.5667 0.0000 Cl 0 0 0 0 0 0 0 0 0 -4.4250 0.7458 0.0000 O 0 0 0 0 0 0 0 0 0 -2.2833 0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 -3.7208 0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 3 1 1 0 0 0 4 2 1 0 0 0 5 1 1 0 0 0 6 12 1 0 0 0 7 1 2 0 0 0 8 1 2 0 0 0 9 6 2 0 0 0 10 6 1 0 0 0 11 4 2 0 0 0 12 20 1 0 0 0 13 4 1 0 0 0 14 2 1 0 0 0 15 2 1 0 0 0 16 27 1 0 0 0 17 5 2 0 0 0 18 5 1 0 0 0 19 9 1 0 0 0 20 24 1 0 0 0 21 10 2 0 0 0 22 21 1 0 0 0 23 17 1 0 0 0 24 18 2 0 0 0 25 19 1 0 0 0 26 13 1 0 0 0 27 15 1 0 0 0 28 14 1 0 0 0 20 23 2 0 0 0 16 28 1 0 0 0 22 19 2 0 0 0 M END > 8.82390874094432 > 5.85387196432176 $$$$ 11280715082D 1 1.00000 0.00000 0 29 31 0 0 0 999 V2000 0.7375 -3.1875 0.0000 S 0 0 3 0 0 0 0 0 0 1.4375 -4.4250 0.0000 C 0 0 0 0 0 0 0 0 0 2.8542 -4.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0.7250 -4.0042 0.0000 N 0 0 3 0 0 0 0 0 0 1.4292 -5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 2.8500 -5.2417 0.0000 C 0 0 0 0 0 0 0 0 0 2.1417 -5.6625 0.0000 S 0 0 0 0 0 0 0 0 0 3.4292 -3.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0.7375 -2.3625 0.0000 C 0 0 0 0 0 0 0 0 0 1.5625 -3.1875 0.0000 O 0 0 0 0 0 0 0 0 0 -0.0625 -2.9667 0.0000 O 0 0 0 0 0 0 0 0 0 -0.0750 -4.2250 0.0000 C 0 0 0 0 0 0 0 0 0 3.2167 -3.0375 0.0000 O 0 0 0 0 0 0 0 0 0 4.2292 -4.0417 0.0000 N 0 0 0 0 0 0 0 0 0 0.7167 -5.6542 0.0000 Br 0 0 0 0 0 0 0 0 0 0.0250 -1.9500 0.0000 C 0 0 0 0 0 0 0 0 0 1.4542 -1.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0.7375 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7958 -3.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0.0250 -1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 1.4542 -1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 4.8125 -3.4542 0.0000 O 0 0 0 0 0 0 0 0 0 0.7292 0.1208 0.0000 O 0 0 0 0 0 0 0 0 0 -1.5083 -4.2250 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7958 -2.9792 0.0000 C 0 0 0 0 0 0 0 0 0 1.4500 0.5333 0.0000 C 0 0 0 0 0 0 0 0 0 -2.2208 -3.8167 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5083 -2.5667 0.0000 C 0 0 0 0 0 0 0 0 0 -2.2250 -2.9792 0.0000 C 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 3 2 1 0 0 0 4 1 1 0 0 0 5 2 2 0 0 0 6 3 2 0 0 0 7 5 1 0 0 0 8 3 1 0 0 0 9 1 1 0 0 0 10 1 2 0 0 0 11 1 2 0 0 0 12 4 1 0 0 0 13 8 2 0 0 0 14 8 1 0 0 0 15 5 1 0 0 0 16 9 1 0 0 0 17 9 2 0 0 0 18 21 2 0 0 0 19 12 1 0 0 0 20 16 2 0 0 0 21 17 1 0 0 0 22 14 1 0 0 0 23 18 1 0 0 0 24 19 1 0 0 0 25 19 2 0 0 0 26 23 1 0 0 0 27 24 2 0 0 0 28 25 1 0 0 0 29 28 2 0 0 0 20 18 1 0 0 0 7 6 1 0 0 0 29 27 1 0 0 0 M END > 6.36957212497498 > 6.1944991418416 $$$$ 11280715212D 1 1.00000 0.00000 0 31 34 0 0 0 999 V2000 -1.5625 1.5625 0.0000 S 0 0 3 0 0 0 0 0 0 -2.9958 1.5750 0.0000 C 0 0 3 0 0 0 0 0 0 -2.2833 1.9875 0.0000 N 0 0 0 0 0 0 0 0 0 -3.7125 1.9875 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8458 1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1375 2.2833 0.0000 O 0 0 0 0 0 0 0 0 0 -1.9875 0.8458 0.0000 O 0 0 0 0 0 0 0 0 0 -3.7125 2.8208 0.0000 O 0 0 0 0 0 0 0 0 0 2.0167 -2.1667 0.0000 C 0 0 0 0 0 0 0 0 0 2.0167 -1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 1.3000 -0.9292 0.0000 C 0 0 0 0 0 0 0 0 0 -4.4250 1.5750 0.0000 N 0 0 0 0 0 0 0 0 0 -2.2833 1.1583 0.0000 C 0 0 0 0 0 0 0 0 0 -3.7208 1.1583 0.0000 C 0 0 0 0 0 0 0 0 0 1.3042 -0.1042 0.0000 O 0 0 0 0 0 0 0 0 0 -3.0000 -0.0875 0.0000 O 0 0 0 0 0 0 0 0 0 -0.1333 1.5500 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8458 0.3083 0.0000 C 0 0 0 0 0 0 0 0 0 1.2917 -2.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0.5792 -2.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0.5875 0.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0.5792 -1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0.5875 1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1333 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 -4.4250 0.7458 0.0000 O 0 0 0 0 0 0 0 0 0 -3.7208 0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 -2.2833 0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 2.7292 -2.5875 0.0000 C 0 0 0 0 0 0 0 0 0 1.2917 -3.4167 0.0000 C 0 0 0 0 0 0 0 0 0 2.7292 -3.4167 0.0000 C 0 0 0 0 0 0 0 0 0 2.0042 -3.8292 0.0000 C 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 3 1 1 0 0 0 4 2 1 0 0 0 5 1 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 4 2 0 0 0 9 10 2 0 0 0 10 11 1 0 0 0 11 15 1 0 0 0 12 4 1 0 0 0 13 2 1 0 0 0 14 2 1 0 0 0 15 21 1 0 0 0 16 26 1 0 0 0 17 5 1 0 0 0 18 5 2 0 0 0 19 20 2 0 0 0 20 22 1 0 0 0 21 24 2 0 0 0 22 11 2 0 0 0 23 17 2 0 0 0 24 18 1 0 0 0 25 12 1 0 0 0 26 14 1 0 0 0 27 13 1 0 0 0 28 9 1 0 0 0 29 19 1 0 0 0 30 28 2 0 0 0 31 29 2 0 0 0 21 23 1 0 0 0 16 27 1 0 0 0 19 9 1 0 0 0 31 30 1 0 0 0 M END > 8.30102999566398 > 5.4089353929735 $$$$ 11280715192D 1 1.00000 0.00000 0 29 31 0 1 0 999 V2000 9.1917 -3.0667 0.0000 S 0 0 3 0 0 0 0 0 0 4.4375 -0.8000 0.0000 N 0 0 0 0 0 0 0 0 0 5.7375 -1.5542 0.0000 C 0 0 0 0 0 0 0 0 0 6.6000 -1.5542 0.0000 N 0 0 0 0 0 0 0 0 0 5.3042 -0.8042 0.0000 N 0 0 0 0 0 0 0 0 0 8.3250 -3.0667 0.0000 N 0 0 0 0 0 0 0 0 0 7.0292 -2.3125 0.0000 C 0 0 0 0 0 0 0 0 0 7.8917 -2.3167 0.0000 C 0 0 1 0 0 0 0 0 0 4.0042 -1.5417 0.0000 C 0 0 0 0 0 0 0 0 0 5.2917 -2.3042 0.0000 S 0 0 0 0 0 0 0 0 0 9.1875 -2.2042 0.0000 O 0 0 0 0 0 0 0 0 0 10.0500 -3.0667 0.0000 O 0 0 0 0 0 0 0 0 0 9.2042 -3.8917 0.0000 C 0 0 0 0 0 0 0 0 0 3.1375 -1.5417 0.0000 C 0 0 0 0 0 0 0 0 0 4.4292 -2.3000 0.0000 C 0 0 0 0 0 0 0 0 0 6.5917 -3.0542 0.0000 O 0 0 0 0 0 0 0 0 0 2.7042 -2.2875 0.0000 C 0 0 0 0 0 0 0 0 0 2.7042 -0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 1.4042 -1.5375 0.0000 C 0 0 0 0 0 0 0 0 0 1.8417 -0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 1.8417 -2.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0.5417 -1.5292 0.0000 Cl 0 0 0 0 0 0 0 0 0 7.8917 -1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 8.4917 -4.3167 0.0000 C 0 0 0 0 0 0 0 0 0 9.9167 -4.2917 0.0000 C 0 0 0 0 0 0 0 0 0 9.9292 -5.1167 0.0000 C 0 0 0 0 0 0 0 0 0 8.5000 -5.1375 0.0000 C 0 0 0 0 0 0 0 0 0 9.2167 -5.5417 0.0000 C 0 0 0 0 0 0 0 0 0 8.7292 -2.0875 0.0000 H 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 3 4 1 0 0 0 4 7 1 0 0 0 5 3 2 0 0 0 6 1 1 0 0 0 7 8 1 0 0 0 8 6 1 0 0 0 9 15 1 0 0 0 10 3 1 0 0 0 11 1 2 0 0 0 12 1 2 0 0 0 13 1 1 0 0 0 14 9 1 0 0 0 15 10 1 0 0 0 16 7 2 0 0 0 17 14 1 0 0 0 18 14 2 0 0 0 19 20 2 0 0 0 20 18 1 0 0 0 21 17 2 0 0 0 22 19 1 0 0 0 8 23 1 1 0 0 24 13 2 0 0 0 25 13 1 0 0 0 26 25 2 0 0 0 27 24 1 0 0 0 28 26 1 0 0 0 8 29 1 6 0 0 27 28 2 0 0 0 2 9 2 0 0 0 19 21 1 0 0 0 M END > 6.85387196432176 > 6.67778070526608 $$$$ SciTegic10121214162D 28 28 0 0 0 0 999 V2000 4.7291 -20.0357 0.0000 C 0 0 5.4526 -20.4372 0.0000 C 0 0 6.1599 -20.0115 0.0000 C 0 0 6.1450 -19.1845 0.0000 C 0 0 5.4169 -18.7850 0.0000 C 0 0 4.7126 -19.2130 0.0000 C 0 0 5.3986 -17.9602 0.0000 O 0 0 6.1038 -17.5320 0.0000 C 0 0 5.4671 -21.2621 0.0000 S 0 0 5.4743 -22.0890 0.0000 N 0 0 6.2921 -21.2512 0.0000 O 0 0 4.6421 -21.2709 0.0000 O 0 0 6.1923 -22.4953 0.0000 C 0 0 6.9032 -22.0765 0.0000 C 0 0 7.6173 -22.4866 0.0000 C 0 0 8.3277 -22.0686 0.0000 C 0 0 8.3209 -21.2428 0.0000 C 0 0 7.5978 -20.8368 0.0000 N 0 0 6.8905 -21.2571 0.0000 C 0 0 4.7634 -22.5077 0.0000 C 0 0 2 0 0 0 4.7706 -23.3326 0.0000 C 0 0 4.0598 -23.7513 0.0000 C 0 0 5.4886 -23.7390 0.0000 C 0 0 4.0454 -22.1014 0.0000 C 0 0 4.0382 -21.2765 0.0000 O 0 0 3.3345 -22.5201 0.0000 N 0 0 2.6165 -22.1138 0.0000 O 0 0 9.1539 -19.0811 0.0000 Cl 0 0 17 18 1 0 2 9 1 0 18 19 2 0 19 14 1 0 4 5 1 0 10 20 1 0 9 10 1 0 2 3 1 0 9 11 2 0 5 6 2 0 9 12 2 0 6 1 1 0 10 13 1 0 20 21 1 6 1 2 2 0 21 22 1 0 13 14 1 0 21 23 1 0 5 7 1 0 14 15 2 0 3 4 2 0 20 24 1 0 15 16 1 0 24 25 2 0 7 8 1 0 24 26 1 0 16 17 2 0 26 27 1 0 M END > 8.92081875395237 > 8.60205999132796 $$$$ 11280715012D 1 1.00000 0.00000 0 34 36 0 0 0 999 V2000 3.1500 -4.1292 0.0000 S 0 0 3 0 0 0 0 0 0 2.4292 -3.7250 0.0000 N 0 0 0 0 0 0 0 0 0 1.7167 -4.1292 0.0000 C 0 0 3 0 0 0 0 0 0 1.0042 -3.7250 0.0000 C 0 0 0 0 0 0 0 0 0 1.7167 -4.9625 0.0000 C 0 0 3 0 0 0 0 0 0 3.8667 -3.7250 0.0000 C 0 0 0 0 0 0 0 0 0 2.5625 -4.7167 0.0000 O 0 0 0 0 0 0 0 0 0 3.7292 -4.7167 0.0000 O 0 0 0 0 0 0 0 0 0 0.2875 -6.6000 0.0000 N 0 0 0 0 0 0 0 0 0 1.0000 -5.3667 0.0000 C 0 0 0 0 0 0 0 0 0 1.0000 -6.1917 0.0000 C 0 0 0 0 0 0 0 0 0 5.2917 -2.8917 0.0000 C 0 0 0 0 0 0 0 0 0 6.0042 -2.4792 0.0000 C 0 0 0 0 0 0 0 0 0 1.0000 -2.9000 0.0000 O 0 0 0 0 0 0 0 0 0 -0.4333 -6.1875 0.0000 O 0 0 0 0 0 0 0 0 0 3.8667 -2.9000 0.0000 C 0 0 0 0 0 0 0 0 0 4.5792 -4.1292 0.0000 C 0 0 0 0 0 0 0 0 0 4.5792 -2.4792 0.0000 C 0 0 0 0 0 0 0 0 0 5.2917 -3.7250 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1458 -6.6000 0.0000 C 0 0 3 0 0 0 0 0 0 6.0000 -1.6542 0.0000 C 0 0 0 0 0 0 0 0 0 6.7167 -2.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0.2875 -4.1292 0.0000 O 0 0 0 0 0 0 0 0 0 7.4292 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 6.7042 -1.2417 0.0000 C 0 0 0 0 0 0 0 0 0 7.4292 -2.4792 0.0000 C 0 0 0 0 0 0 0 0 0 2.4292 -5.3667 0.0000 C 0 0 0 0 0 0 0 0 0 8.1417 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 2.4292 -6.1917 0.0000 C 0 0 0 0 0 0 0 0 0 1.7125 -6.6042 0.0000 C 0 0 0 0 0 0 0 0 0 -1.8583 -6.1792 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1458 -7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3583 -5.8000 0.0000 C 0 0 0 0 0 0 0 0 0 8.8542 -1.6417 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 3 1 0 0 0 6 1 1 0 0 0 7 1 2 0 0 0 8 1 2 0 0 0 9 11 2 0 0 0 10 5 1 0 0 0 11 10 1 0 0 0 12 19 1 0 0 0 13 12 1 0 0 0 14 4 2 0 0 0 15 9 1 0 0 0 16 6 2 0 0 0 17 6 1 0 0 0 18 16 1 0 0 0 19 17 2 0 0 0 20 15 1 0 0 0 21 13 1 0 0 0 22 13 2 0 0 0 23 4 1 0 0 0 24 26 2 0 0 0 25 21 2 0 0 0 26 22 1 0 0 0 27 5 1 0 0 0 28 24 1 0 0 0 29 27 1 0 0 0 30 29 1 0 0 0 31 20 1 0 0 0 32 20 1 0 0 0 33 20 1 0 0 0 34 28 1 0 0 0 18 12 2 0 0 0 11 30 1 0 0 0 24 25 1 0 0 0 M END > 8.15490195998574 > 5.38615817812393 $$$$ 11280715212D 1 1.00000 0.00000 0 27 29 0 1 0 999 V2000 -1.4625 2.1125 0.0000 S 0 0 3 0 0 0 0 0 0 -2.9083 2.1250 0.0000 C 0 0 1 0 0 0 0 0 0 -2.1875 2.5458 0.0000 N 0 0 0 0 0 0 0 0 0 -3.6250 2.5458 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7375 1.6875 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0333 2.8458 0.0000 O 0 0 0 0 0 0 0 0 0 -1.7458 1.3875 0.0000 O 0 0 0 0 0 0 0 0 0 -3.6250 3.3833 0.0000 O 0 0 0 0 0 0 0 0 0 -4.3458 2.1250 0.0000 N 0 0 0 0 0 0 0 0 0 -2.1833 1.7083 0.0000 C 0 0 0 0 0 0 0 0 0 -3.6333 0.8750 0.0000 O 0 0 0 0 0 0 0 0 0 1.4167 0.4375 0.0000 O 0 0 0 0 0 0 0 0 0 -0.7375 0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0208 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 -3.6333 1.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0.7000 0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 1.4167 -0.3917 0.0000 C 0 0 0 0 0 0 0 0 0 1.4167 -2.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0.7000 1.6875 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0208 0.4333 0.0000 C 0 0 0 0 0 0 0 0 0 1.4167 -2.8792 0.0000 F 0 0 0 0 0 0 0 0 0 -4.3458 1.2958 0.0000 O 0 0 0 0 0 0 0 0 0 2.1292 -0.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0.6917 -0.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0.6917 -1.6375 0.0000 C 0 0 0 0 0 0 0 0 0 2.1417 -1.6292 0.0000 C 0 0 0 0 0 0 0 0 0 -2.1875 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 2 3 1 1 0 0 3 1 1 0 0 0 4 2 1 0 0 0 5 1 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 4 2 0 0 0 9 4 1 0 0 0 10 2 1 0 0 0 11 15 1 0 0 0 12 16 1 0 0 0 13 5 2 0 0 0 14 5 1 0 0 0 15 2 1 0 0 0 16 19 1 0 0 0 17 12 1 0 0 0 18 25 2 0 0 0 19 14 2 0 0 0 20 13 1 0 0 0 21 18 1 0 0 0 22 9 1 0 0 0 23 17 1 0 0 0 24 17 2 0 0 0 25 24 1 0 0 0 26 23 2 0 0 0 27 10 1 0 0 0 16 20 2 0 0 0 27 11 1 0 0 0 18 26 1 0 0 0 M END > 8.88605664769316 > 5.92081875395237 $$$$ 11280715082D 1 1.00000 0.00000 0 26 27 0 0 0 999 V2000 6.3667 -3.2292 0.0000 S 0 0 3 0 0 0 0 0 0 7.1875 -3.2042 0.0000 C 0 0 3 0 0 0 0 0 0 7.5750 -2.4667 0.0000 C 0 0 0 0 0 0 0 0 0 5.5417 -3.2667 0.0000 C 0 0 0 0 0 0 0 0 0 6.4000 -4.0625 0.0000 O 0 0 0 0 0 0 0 0 0 6.3292 -2.4125 0.0000 O 0 0 0 0 0 0 0 0 0 7.1292 -1.7750 0.0000 O 0 0 0 0 0 0 0 0 0 7.1792 -4.6250 0.0000 C 0 0 0 0 0 0 0 0 0 8.4042 -2.4375 0.0000 N 0 0 0 0 0 0 0 0 0 7.5875 -5.3417 0.0000 C 0 0 0 0 0 0 0 0 0 7.5917 -3.9167 0.0000 C 0 0 0 0 0 0 0 0 0 5.1542 -3.9917 0.0000 C 0 0 0 0 0 0 0 0 0 5.1000 -2.5667 0.0000 C 0 0 0 0 0 0 0 0 0 8.0125 -3.2042 0.0000 C 0 0 0 0 0 0 0 0 0 3.8917 -3.3292 0.0000 C 0 0 0 0 0 0 0 0 0 4.3292 -4.0292 0.0000 C 0 0 0 0 0 0 0 0 0 4.2667 -2.6042 0.0000 C 0 0 0 0 0 0 0 0 0 7.1667 -6.0542 0.0000 C 0 0 0 0 0 0 0 0 0 8.7875 -1.7042 0.0000 O 0 0 0 0 0 0 0 0 0 3.0625 -3.3667 0.0000 O 0 0 0 0 0 0 0 0 0 6.3500 -6.0417 0.0000 C 0 0 0 0 0 0 0 0 0 7.5792 -6.7667 0.0000 C 0 0 0 0 0 0 0 0 0 2.6250 -2.6667 0.0000 C 0 0 0 0 0 0 0 0 0 7.1667 -7.4792 0.0000 C 0 0 0 0 0 0 0 0 0 5.9292 -6.7542 0.0000 C 0 0 0 0 0 0 0 0 0 6.3417 -7.4750 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 1 1 0 0 0 5 1 2 0 0 0 6 1 2 0 0 0 7 3 2 0 0 0 8 11 1 0 0 0 9 3 1 0 0 0 10 8 2 0 0 0 11 2 1 0 0 0 12 4 1 0 0 0 13 4 2 0 0 0 14 2 1 0 0 0 15 17 2 0 0 0 16 12 2 0 0 0 17 13 1 0 0 0 18 10 1 0 0 0 19 9 1 0 0 0 20 15 1 0 0 0 21 18 2 0 0 0 22 18 1 0 0 0 23 20 1 0 0 0 24 22 2 0 0 0 25 21 1 0 0 0 26 24 1 0 0 0 15 16 1 0 0 0 26 25 2 0 0 0 M END > 7.92081875395237 > 6.52432881167557 $$$$ 11280714582D 1 1.00000 0.00000 0 20 21 0 0 0 999 V2000 4.2500 -2.7000 0.0000 S 0 0 3 0 0 0 0 0 0 4.9667 -2.2875 0.0000 C 0 0 0 0 0 0 0 0 0 3.6625 -2.1125 0.0000 O 0 0 0 0 0 0 0 0 0 4.6542 -3.4125 0.0000 O 0 0 0 0 0 0 0 0 0 7.1042 -1.0417 0.0000 O 0 0 0 0 0 0 0 0 0 4.9667 -1.4625 0.0000 C 0 0 0 0 0 0 0 0 0 5.6792 -2.7000 0.0000 C 0 0 0 0 0 0 0 0 0 3.5292 -3.1042 0.0000 C 0 0 0 0 0 0 0 0 0 6.3917 -1.4542 0.0000 C 0 0 0 0 0 0 0 0 0 1.3917 -2.6750 0.0000 S 0 0 0 0 0 0 0 0 0 6.3917 -2.2875 0.0000 C 0 0 0 0 0 0 0 0 0 5.6792 -1.0417 0.0000 C 0 0 0 0 0 0 0 0 0 7.8250 -1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 2.8167 -2.6875 0.0000 C 0 0 0 0 0 0 0 0 0 2.1042 -3.0917 0.0000 C 0 0 0 0 0 0 0 0 0 7.8250 -2.2750 0.0000 C 0 0 0 0 0 0 0 0 0 8.5292 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 9.2417 -1.4375 0.0000 C 0 0 0 0 0 0 0 0 0 8.5375 -2.6792 0.0000 C 0 0 0 0 0 0 0 0 0 9.2542 -2.2667 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 2 0 0 0 4 1 2 0 0 0 5 9 1 0 0 0 6 2 2 0 0 0 7 2 1 0 0 0 8 1 1 0 0 0 9 11 1 0 0 0 10 15 1 0 0 0 11 7 2 0 0 0 12 6 1 0 0 0 13 5 1 0 0 0 14 8 1 0 0 0 15 14 1 0 0 0 16 13 2 0 0 0 17 13 1 0 0 0 18 17 2 0 0 0 19 16 1 0 0 0 20 18 1 0 0 0 9 12 2 0 0 0 20 19 2 0 0 0 M END > 9.30102999566398 > 5.82390874094432 $$$$ 11290715122D 1 1.00000 0.00000 0 31 33 0 0 0 999 V2000 -0.3765 -0.8106 0.0000 C 0 0 3 0 0 0 0 0 0 0.1530 -1.4405 0.0000 C 0 0 0 0 0 0 0 0 0 0.9625 -1.3036 0.0000 C 0 0 0 0 0 0 0 0 0 1.2520 -0.5318 0.0000 N 0 0 3 0 0 0 0 0 0 0.7263 0.1041 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0891 -0.0323 0.0000 C 0 0 0 0 0 0 0 0 0 -3.4520 0.9729 0.0000 C 0 0 0 0 0 0 0 0 0 -3.4520 0.1408 0.0000 C 0 0 0 0 0 0 0 0 0 -2.7336 -0.2740 0.0000 C 0 0 0 0 0 0 0 0 0 -2.0198 0.1381 0.0000 C 0 0 0 0 0 0 0 0 0 -2.0198 0.9711 0.0000 C 0 0 0 0 0 0 0 0 0 -2.7325 1.3826 0.0000 C 0 0 0 0 0 0 0 0 0 -4.1614 1.3825 0.0000 O 0 0 0 0 0 0 0 0 0 -4.1614 2.2128 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3053 -0.2744 0.0000 S 0 0 3 0 0 0 0 0 0 -0.8922 0.4412 0.0000 O 0 0 0 0 0 0 0 0 0 -1.7172 -0.9877 0.0000 O 0 0 0 0 0 0 0 0 0 -1.0666 -1.6333 0.0000 C 0 0 0 0 0 0 0 0 0 -1.8790 -1.4901 0.0000 O 0 0 0 0 0 0 0 0 0 2.0656 -0.3956 0.0000 C 0 0 0 0 0 0 0 0 0 2.5905 -1.0321 0.0000 C 0 0 0 0 0 0 0 0 0 2.2983 -1.8013 0.0000 C 0 0 0 0 0 0 0 0 0 2.8217 -2.4380 0.0000 C 0 0 0 0 0 0 0 0 0 3.6364 -2.3027 0.0000 C 0 0 0 0 0 0 0 0 0 3.9250 -1.5258 0.0000 C 0 0 0 0 0 0 0 0 0 3.3996 -0.8921 0.0000 C 0 0 0 0 0 0 0 0 0 4.1614 -2.9391 0.0000 Br 0 0 0 0 0 0 0 0 0 -3.4425 2.6279 0.0000 C 0 0 0 0 0 0 0 0 0 -2.7280 3.0404 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7844 -2.4085 0.0000 N 0 0 0 0 0 0 0 0 0 -1.3147 -3.0405 0.0000 O 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 6 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 7 8 2 0 0 0 8 9 1 0 0 0 9 10 2 0 0 0 10 11 1 0 0 0 11 12 2 0 0 0 12 7 1 0 0 0 7 13 1 0 0 0 13 14 1 0 0 0 10 15 1 0 0 0 15 16 2 0 0 0 15 17 2 0 0 0 15 1 1 0 0 0 1 18 1 0 0 0 18 19 2 0 0 0 4 20 1 0 0 0 20 21 1 0 0 0 21 22 2 0 0 0 22 23 1 0 0 0 23 24 2 0 0 0 24 25 1 0 0 0 25 26 2 0 0 0 26 21 1 0 0 0 24 27 1 0 0 0 14 28 1 0 0 0 28 29 3 0 0 0 18 30 1 0 0 0 30 31 1 0 0 0 M END > 8.52287874528034 > 6.84466396253494 $$$$ 11280715432D 1 1.00000 0.00000 0 36 38 0 0 0 999 V2000 -0.2458 0.5708 0.0000 S 0 0 3 0 0 0 0 0 0 -0.2708 -0.1542 0.0000 N 0 0 3 0 0 0 0 0 0 -0.8625 -0.5542 0.0000 C 0 0 3 0 0 0 0 0 0 -0.3958 -1.7625 0.0000 N 0 0 3 0 0 0 0 0 0 0.3167 -1.6667 0.0000 C 0 0 0 0 0 0 0 0 0 -0.9208 -1.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0.4250 -0.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0.6792 -1.0417 0.0000 C 0 0 0 0 0 0 0 0 0 -1.4833 -0.1917 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6083 -2.4500 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2250 1.2958 0.0000 C 0 0 0 0 0 0 0 0 0 -0.9708 0.5958 0.0000 O 0 0 0 0 0 0 0 0 0 0.4750 0.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0.5042 4.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0.5292 5.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0.6792 -2.2875 0.0000 C 0 0 0 0 0 0 0 0 0 -1.4833 0.5333 0.0000 O 0 0 0 0 0 0 0 0 0 1.4000 -1.0417 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1250 -2.9792 0.0000 O 0 0 0 0 0 0 0 0 0 -2.1125 -0.5417 0.0000 N 0 0 0 0 0 0 0 0 0 1.4000 -2.2875 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8333 1.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0.4167 1.6333 0.0000 C 0 0 0 0 0 0 0 0 0 1.7500 -2.9167 0.0000 C 0 0 0 0 0 0 0 0 0 1.3917 -3.5375 0.0000 N 0 0 3 0 0 0 0 0 0 1.7500 -1.6667 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1708 2.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0.4375 2.3625 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8125 2.3958 0.0000 C 0 0 0 0 0 0 0 0 0 -2.7250 -0.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0.4792 3.7958 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1458 3.4583 0.0000 O 0 0 0 0 0 0 0 0 0 -1.3083 -2.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0.5500 5.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0.6667 -3.5292 0.0000 C 0 0 0 0 0 0 0 0 0 1.7500 -4.1625 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 6 1 0 0 0 5 8 2 0 0 0 6 3 1 0 0 0 7 2 1 0 0 0 8 7 1 0 0 0 9 3 1 0 0 0 10 4 1 0 0 0 11 1 1 0 0 0 12 1 2 0 0 0 13 1 2 0 0 0 14 31 1 0 0 0 15 14 3 0 0 0 16 5 1 0 0 0 17 9 2 0 0 0 18 8 1 0 0 0 19 10 2 0 0 0 20 9 1 0 0 0 21 26 1 0 0 0 22 11 1 0 0 0 23 11 2 0 0 0 24 21 1 0 0 0 25 24 1 0 0 0 26 18 2 0 0 0 27 28 2 0 0 0 28 23 1 0 0 0 29 22 2 0 0 0 30 20 1 0 0 0 31 32 1 0 0 0 32 27 1 0 0 0 33 10 1 0 0 0 34 15 1 0 0 0 35 25 1 0 0 0 36 25 1 0 0 0 29 27 1 0 0 0 4 5 1 0 0 0 16 21 2 0 0 0 M END > 7.17392519729917 > 6.04383156952464 $$$$ 11290715122D 1 1.00000 0.00000 0 33 35 0 0 0 999 V2000 -0.3848 -0.4506 0.0000 C 0 0 3 0 0 0 0 0 0 0.0320 -1.1676 0.0000 C 0 0 0 0 0 0 0 0 0 0.8540 -1.1641 0.0000 C 0 0 0 0 0 0 0 0 0 1.2678 -0.4487 0.0000 N 0 0 3 0 0 0 0 0 0 0.8510 0.2678 0.0000 C 0 0 0 0 0 0 0 0 0 0.0226 0.2660 0.0000 C 0 0 0 0 0 0 0 0 0 -3.1108 1.8279 0.0000 C 0 0 0 0 0 0 0 0 0 -3.2557 1.0133 0.0000 C 0 0 0 0 0 0 0 0 0 -2.6215 0.4822 0.0000 C 0 0 0 0 0 0 0 0 0 -1.8421 0.7646 0.0000 C 0 0 0 0 0 0 0 0 0 -1.6999 1.5829 0.0000 C 0 0 0 0 0 0 0 0 0 -2.3362 2.1105 0.0000 C 0 0 0 0 0 0 0 0 0 -3.7421 2.3591 0.0000 O 0 0 0 0 0 0 0 0 0 -3.5988 3.1716 0.0000 C 0 0 0 0 0 0 0 0 0 -1.2101 0.2343 0.0000 S 0 0 3 0 0 0 0 0 0 -0.6798 0.8662 0.0000 O 0 0 0 0 0 0 0 0 0 -1.7404 -0.3977 0.0000 O 0 0 0 0 0 0 0 0 0 -1.2035 -1.1435 0.0000 C 0 0 0 0 0 0 0 0 0 -1.9799 -0.8646 0.0000 O 0 0 0 0 0 0 0 0 0 2.0928 -0.4487 0.0000 C 0 0 0 0 0 0 0 0 0 2.5051 -1.1629 0.0000 C 0 0 0 0 0 0 0 0 0 2.0923 -1.8712 0.0000 C 0 0 0 0 0 0 0 0 0 2.5032 -2.5858 0.0000 C 0 0 0 0 0 0 0 0 0 3.3266 -2.5887 0.0000 C 0 0 0 0 0 0 0 0 0 3.7421 -1.8684 0.0000 C 0 0 0 0 0 0 0 0 0 3.3288 -1.1569 0.0000 C 0 0 0 0 0 0 0 0 0 -2.8236 3.4537 0.0000 C 0 0 0 0 0 0 0 0 0 3.7391 -3.3032 0.0000 O 0 0 0 0 0 0 0 0 0 3.3264 -4.0181 0.0000 C 0 0 0 0 0 0 0 0 0 -2.0483 3.7359 0.0000 C 0 0 0 0 0 0 0 0 0 -1.2731 4.0181 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0568 -1.9554 0.0000 N 0 0 0 0 0 0 0 0 0 -1.6866 -2.4883 0.0000 O 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 6 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 7 8 2 0 0 0 8 9 1 0 0 0 9 10 2 0 0 0 10 11 1 0 0 0 11 12 2 0 0 0 12 7 1 0 0 0 7 13 1 0 0 0 13 14 1 0 0 0 10 15 1 0 0 0 15 16 2 0 0 0 15 17 2 0 0 0 15 1 1 0 0 0 1 18 1 0 0 0 18 19 2 0 0 0 4 20 1 0 0 0 20 21 1 0 0 0 21 22 2 0 0 0 22 23 1 0 0 0 23 24 2 0 0 0 24 25 1 0 0 0 25 26 2 0 0 0 26 21 1 0 0 0 14 27 1 0 0 0 24 28 1 0 0 0 28 29 1 0 0 0 27 30 3 0 0 0 30 31 1 0 0 0 18 32 1 0 0 0 32 33 1 0 0 0 M END > 7.39794000867204 > 5.58956021378965 $$$$ 11280715082D 1 1.00000 0.00000 0 28 30 0 0 0 999 V2000 6.3750 -2.0167 0.0000 S 0 0 3 0 0 0 0 0 0 7.1917 -1.9875 0.0000 C 0 0 3 0 0 0 0 0 0 7.5792 -1.2542 0.0000 C 0 0 0 0 0 0 0 0 0 5.5500 -2.0500 0.0000 C 0 0 0 0 0 0 0 0 0 7.6375 -2.6792 0.0000 C 0 0 0 0 0 0 0 0 0 6.3417 -1.1917 0.0000 O 0 0 0 0 0 0 0 0 0 6.4042 -2.8417 0.0000 O 0 0 0 0 0 0 0 0 0 7.1417 -0.5542 0.0000 O 0 0 0 0 0 0 0 0 0 7.2542 -3.4125 0.0000 C 0 0 0 0 0 0 0 0 0 7.3292 -4.8292 0.0000 C 0 0 0 0 0 0 0 0 0 7.7042 -4.1042 0.0000 C 0 0 0 0 0 0 0 0 0 8.4125 -1.2167 0.0000 N 0 0 0 0 0 0 0 0 0 5.1042 -1.3500 0.0000 C 0 0 0 0 0 0 0 0 0 5.1667 -2.7792 0.0000 C 0 0 0 0 0 0 0 0 0 6.5000 -4.8667 0.0000 C 0 0 0 0 0 0 0 0 0 6.0542 -4.1750 0.0000 C 0 0 0 0 0 0 0 0 0 8.0167 -1.9875 0.0000 C 0 0 0 0 0 0 0 0 0 6.4375 -3.4417 0.0000 C 0 0 0 0 0 0 0 0 0 3.9000 -2.1167 0.0000 C 0 0 0 0 0 0 0 0 0 4.3417 -2.8125 0.0000 C 0 0 0 0 0 0 0 0 0 4.2792 -1.3875 0.0000 C 0 0 0 0 0 0 0 0 0 8.7917 -0.4917 0.0000 O 0 0 0 0 0 0 0 0 0 3.0667 -2.1500 0.0000 O 0 0 0 0 0 0 0 0 0 7.7667 -5.5292 0.0000 C 0 0 0 0 0 0 0 0 0 6.1167 -5.6000 0.0000 C 0 0 0 0 0 0 0 0 0 2.6292 -1.4542 0.0000 C 0 0 0 0 0 0 0 0 0 7.3917 -6.2542 0.0000 C 0 0 0 0 0 0 0 0 0 6.5625 -6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 1 1 0 0 0 5 2 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 3 2 0 0 0 9 5 1 0 0 0 10 11 2 0 0 0 11 9 1 0 0 0 12 3 1 0 0 0 13 4 2 0 0 0 14 4 1 0 0 0 15 16 2 0 0 0 16 18 1 0 0 0 17 2 1 0 0 0 18 9 2 0 0 0 19 20 1 0 0 0 20 14 2 0 0 0 21 13 1 0 0 0 22 12 1 0 0 0 23 19 1 0 0 0 24 10 1 0 0 0 25 15 1 0 0 0 26 23 1 0 0 0 27 24 2 0 0 0 28 25 2 0 0 0 19 21 2 0 0 0 15 10 1 0 0 0 28 27 1 0 0 0 M END > 8.04575749056067 > 6.85698519974591 $$$$ 11280715312D 1 1.00000 0.00000 0 29 31 0 1 0 999 V2000 3.6542 -3.1917 0.0000 N 0 0 3 0 0 0 0 0 0 3.6542 -2.5917 0.0000 S 0 0 3 0 0 0 0 0 0 3.1750 -3.5417 0.0000 C 0 0 2 0 0 0 0 0 0 4.1417 -3.5417 0.0000 C 0 0 0 0 0 0 0 0 0 3.3542 -4.1167 0.0000 C 0 0 0 0 0 0 0 0 0 2.6042 -3.3542 0.0000 C 0 0 0 0 0 0 0 0 0 3.9542 -4.1167 0.0000 C 0 0 2 0 0 0 0 0 0 4.3125 -4.6042 0.0000 N 0 0 3 0 0 0 0 0 0 4.1792 -2.2917 0.0000 C 0 0 0 0 0 0 0 0 0 3.6500 -1.9917 0.0000 O 0 0 0 0 0 0 0 0 0 3.0750 -2.4292 0.0000 O 0 0 0 0 0 0 0 0 0 2.4792 -2.7667 0.0000 O 0 0 0 0 0 0 0 0 0 2.1542 -3.7542 0.0000 N 0 0 0 0 0 0 0 0 0 4.1792 -1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 4.7000 -2.5917 0.0000 C 0 0 0 0 0 0 0 0 0 5.2167 -2.2917 0.0000 C 0 0 0 0 0 0 0 0 0 4.6917 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 5.2167 -1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 1.5875 -3.5792 0.0000 O 0 0 0 0 0 0 0 0 0 4.0667 -5.1417 0.0000 C 0 0 0 0 0 0 0 0 0 4.9042 -4.5292 0.0000 C 0 0 0 0 0 0 0 0 0 5.7375 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 6.2542 -1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 7.2917 -1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 6.7792 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 4.4167 -5.6292 0.0000 C 0 0 0 0 0 0 0 0 0 5.2542 -5.0167 0.0000 C 0 0 0 0 0 0 0 0 0 7.8167 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 5.0125 -5.5667 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 1 1 0 0 0 3 5 1 6 0 0 6 3 1 0 0 0 7 4 1 0 0 0 7 8 1 1 0 0 9 2 1 0 0 0 10 2 2 0 0 0 11 2 2 0 0 0 12 6 2 0 0 0 13 6 1 0 0 0 14 9 1 0 0 0 15 9 2 0 0 0 16 15 1 0 0 0 17 14 2 0 0 0 18 16 2 0 0 0 19 13 1 0 0 0 20 8 1 0 0 0 21 8 1 0 0 0 22 18 1 0 0 0 23 22 1 0 0 0 24 25 1 0 0 0 25 23 1 0 0 0 26 20 1 0 0 0 27 21 1 0 0 0 28 24 1 0 0 0 29 27 1 0 0 0 7 5 1 0 0 0 18 17 1 0 0 0 29 26 1 0 0 0 M END > 9.04575749056067 > 5.69897000433602 $$$$ 11280715042D 1 1.00000 0.00000 0 40 43 0 0 0 999 V2000 4.6917 -3.3292 0.0000 S 0 0 3 0 0 0 0 0 0 2.6042 -3.9625 0.0000 C 0 0 0 0 0 0 0 0 0 3.8667 -3.2917 0.0000 N 0 0 3 0 0 0 0 0 0 3.4292 -3.9917 0.0000 C 0 0 0 0 0 0 0 0 0 2.4417 -8.2417 0.0000 C 0 0 3 0 0 0 0 0 0 2.1667 -4.6625 0.0000 C 0 0 0 0 0 0 0 0 0 3.8167 -4.7292 0.0000 C 0 0 0 0 0 0 0 0 0 2.2167 -3.2292 0.0000 C 0 0 0 0 0 0 0 0 0 2.5500 -5.3917 0.0000 C 0 0 0 0 0 0 0 0 0 5.5167 -3.3292 0.0000 C 0 0 0 0 0 0 0 0 0 3.3750 -5.4250 0.0000 C 0 0 0 0 0 0 0 0 0 2.0542 -7.5042 0.0000 C 0 0 0 0 0 0 0 0 0 5.1292 -2.6292 0.0000 O 0 0 0 0 0 0 0 0 0 5.0792 -4.0542 0.0000 O 0 0 0 0 0 0 0 0 0 2.1042 -6.0875 0.0000 C 0 0 0 0 0 0 0 0 0 3.4875 -2.5667 0.0000 C 0 0 0 0 0 0 0 0 0 2.4917 -6.8125 0.0000 C 0 0 0 0 0 0 0 0 0 2.6625 -2.5292 0.0000 O 0 0 0 0 0 0 0 0 0 5.1917 -1.2000 0.0000 N 0 0 0 0 0 0 0 0 0 1.3917 -3.2042 0.0000 N 0 0 0 0 0 0 0 0 0 3.9292 -1.8667 0.0000 C 0 0 0 0 0 0 0 0 0 2.7917 -8.9042 0.0000 F 0 0 0 0 0 0 0 0 0 2.1042 -9.0292 0.0000 F 0 0 0 0 0 0 0 0 0 3.2875 -8.4042 0.0000 F 0 0 0 0 0 0 0 0 0 5.9250 -2.6167 0.0000 C 0 0 0 0 0 0 0 0 0 5.9292 -4.0417 0.0000 C 0 0 0 0 0 0 0 0 0 7.1625 -3.3250 0.0000 C 0 0 0 0 0 0 0 0 0 6.7500 -4.0375 0.0000 C 0 0 0 0 0 0 0 0 0 6.7417 -2.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0.9542 -3.9042 0.0000 O 0 0 0 0 0 0 0 0 0 4.6417 -4.7625 0.0000 C 0 0 0 0 0 0 0 0 0 4.7542 -1.9000 0.0000 C 0 0 0 0 0 0 0 0 0 7.9875 -3.3167 0.0000 O 0 0 0 0 0 0 0 0 0 1.2292 -7.4792 0.0000 C 0 0 0 0 0 0 0 0 0 1.2792 -6.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0.8417 -6.7417 0.0000 C 0 0 0 0 0 0 0 0 0 4.8042 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 3.5417 -1.1292 0.0000 C 0 0 0 0 0 0 0 0 0 8.4000 -4.0375 0.0000 C 0 0 0 0 0 0 0 0 0 3.9875 -0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 3 1 1 0 0 0 4 3 1 0 0 0 5 12 1 0 0 0 6 2 2 0 0 0 7 4 2 0 0 0 8 2 1 0 0 0 9 11 2 0 0 0 10 1 1 0 0 0 11 7 1 0 0 0 12 17 2 0 0 0 13 1 2 0 0 0 14 1 2 0 0 0 15 9 1 0 0 0 16 3 1 0 0 0 17 15 1 0 0 0 18 8 2 0 0 0 19 32 2 0 0 0 20 8 1 0 0 0 21 16 1 0 0 0 22 5 1 0 0 0 23 5 1 0 0 0 24 5 1 0 0 0 25 10 1 0 0 0 26 10 2 0 0 0 27 28 2 0 0 0 28 26 1 0 0 0 29 25 2 0 0 0 30 20 1 0 0 0 31 7 1 0 0 0 32 21 1 0 0 0 33 27 1 0 0 0 34 36 2 0 0 0 35 15 2 0 0 0 36 35 1 0 0 0 37 40 2 0 0 0 38 21 2 0 0 0 39 33 1 0 0 0 40 38 1 0 0 0 29 27 1 0 0 0 6 9 1 0 0 0 19 37 1 0 0 0 12 34 1 0 0 0 M END > 8.69897000433602 > 6.26600071346161 $$$$ 11280715122D 1 1.00000 0.00000 0 33 35 0 1 0 999 V2000 4.8917 -2.2250 0.0000 S 0 0 3 0 0 0 0 0 0 5.0750 -3.0375 0.0000 N 0 0 3 0 0 0 0 0 0 4.4292 -3.5417 0.0000 C 0 0 3 0 0 0 0 0 0 4.8917 -5.6875 0.0000 C 0 0 0 0 0 0 0 0 0 5.0750 -4.8875 0.0000 N 0 0 3 0 0 0 0 0 0 3.6875 -3.1792 0.0000 C 0 0 0 0 0 0 0 0 0 4.4292 -4.3750 0.0000 C 0 0 0 0 0 0 0 0 0 4.1042 -5.9292 0.0000 N 0 0 0 0 0 0 0 0 0 5.5000 -1.6667 0.0000 C 0 0 0 0 0 0 0 0 0 5.6917 -2.4375 0.0000 O 0 0 0 0 0 0 0 0 0 4.0917 -2.0125 0.0000 O 0 0 0 0 0 0 0 0 0 5.5000 -6.2500 0.0000 O 0 0 0 0 0 0 0 0 0 3.9167 -6.7292 0.0000 C 0 0 2 0 0 0 0 0 0 3.6292 -2.3625 0.0000 O 0 0 0 0 0 0 0 0 0 3.0042 -3.6417 0.0000 N 0 0 0 0 0 0 0 0 0 5.8792 -3.2167 0.0000 C 0 0 0 0 0 0 0 0 0 5.3167 -0.8667 0.0000 C 0 0 0 0 0 0 0 0 0 6.2875 -1.9125 0.0000 C 0 0 0 0 0 0 0 0 0 3.1292 -6.9750 0.0000 C 0 0 0 0 0 0 0 0 0 6.2292 -3.9542 0.0000 C 0 0 0 0 0 0 0 0 0 5.8792 -4.7000 0.0000 C 0 0 0 0 0 0 0 0 0 6.7125 -0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 5.9167 -0.3042 0.0000 C 0 0 0 0 0 0 0 0 0 6.8917 -1.3542 0.0000 C 0 0 0 0 0 0 0 0 0 2.2542 -3.2875 0.0000 O 0 0 0 0 0 0 0 0 0 7.3167 0.0083 0.0000 O 0 0 0 0 0 0 0 0 0 4.5250 -7.2917 0.0000 C 0 0 0 0 0 0 0 0 0 2.9542 -7.7750 0.0000 C 0 0 0 0 0 0 0 0 0 2.5292 -6.4125 0.0000 C 0 0 0 0 0 0 0 0 0 8.1042 -0.2375 0.0000 C 0 0 0 0 0 0 0 0 0 1.7417 -6.6542 0.0000 C 0 0 0 0 0 0 0 0 0 2.1667 -8.0167 0.0000 C 0 0 0 0 0 0 0 0 0 1.5542 -7.4625 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 5 1 0 0 0 5 7 1 0 0 0 6 3 1 0 0 0 7 3 1 0 0 0 8 4 1 0 0 0 9 1 1 0 0 0 10 1 2 0 0 0 11 1 2 0 0 0 12 4 2 0 0 0 13 8 1 0 0 0 14 6 2 0 0 0 15 6 1 0 0 0 16 2 1 0 0 0 17 9 1 0 0 0 18 9 2 0 0 0 19 13 1 0 0 0 20 16 1 0 0 0 21 20 1 0 0 0 22 24 2 0 0 0 23 17 2 0 0 0 24 18 1 0 0 0 25 15 1 0 0 0 26 22 1 0 0 0 13 27 1 1 0 0 28 19 1 0 0 0 29 19 2 0 0 0 30 26 1 0 0 0 31 29 1 0 0 0 32 28 2 0 0 0 33 31 2 0 0 0 22 23 1 0 0 0 21 5 1 0 0 0 33 32 1 0 0 0 M END > 7.98296666070122 > 6.50584540598156 $$$$ 11280715302D 1 1.00000 0.00000 0 22 23 0 0 0 999 V2000 2.7292 -1.6000 0.0000 S 0 0 3 0 0 0 0 0 0 2.7292 -2.1917 0.0000 N 0 0 3 0 0 0 0 0 0 2.2417 -2.5500 0.0000 C 0 0 3 0 0 0 0 0 0 1.6750 -2.3667 0.0000 C 0 0 0 0 0 0 0 0 0 2.7250 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 3.3292 -1.6000 0.0000 O 0 0 0 0 0 0 0 0 0 2.1292 -1.5917 0.0000 O 0 0 0 0 0 0 0 0 0 1.5500 -1.7792 0.0000 O 0 0 0 0 0 0 0 0 0 2.6792 -3.5542 0.0000 S 0 0 0 0 0 0 0 0 0 1.2292 -2.7667 0.0000 N 0 0 0 0 0 0 0 0 0 3.2417 -0.6917 0.0000 C 0 0 0 0 0 0 0 0 0 2.1917 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 3.3167 -2.3542 0.0000 C 0 0 0 0 0 0 0 0 0 2.2167 -3.1542 0.0000 C 0 0 0 0 0 0 0 0 0 2.7042 0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 2.1917 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 3.2292 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0.6542 -2.5792 0.0000 O 0 0 0 0 0 0 0 0 0 3.5625 -2.9042 0.0000 C 0 0 0 0 0 0 0 0 0 2.7000 0.8000 0.0000 O 0 0 0 0 0 0 0 0 0 3.2750 -3.4375 0.0000 C 0 0 0 0 0 0 0 0 0 3.2125 1.1083 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 1 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 4 2 0 0 0 9 14 1 0 0 0 10 4 1 0 0 0 11 5 2 0 0 0 12 5 1 0 0 0 13 2 1 0 0 0 14 3 1 0 0 0 15 16 1 0 0 0 16 12 2 0 0 0 17 11 1 0 0 0 18 10 1 0 0 0 19 13 1 0 0 0 20 15 1 0 0 0 21 19 1 0 0 0 22 20 1 0 0 0 15 17 2 0 0 0 21 9 1 0 0 0 M END > 8.72124639904717 > 7.19382002601611 $$$$ 11280715082D 1 1.00000 0.00000 0 33 35 0 0 0 999 V2000 8.2250 -8.6042 0.0000 C 0 0 3 0 0 0 0 0 0 7.5125 -9.0250 0.0000 S 0 0 3 0 0 0 0 0 0 8.9417 -9.0042 0.0000 C 0 0 0 0 0 0 0 0 0 7.5167 -8.2000 0.0000 C 0 0 0 0 0 0 0 0 0 8.9375 -8.2000 0.0000 C 0 0 0 0 0 0 0 0 0 6.7917 -8.6125 0.0000 C 0 0 0 0 0 0 0 0 0 8.0917 -9.6042 0.0000 O 0 0 0 0 0 0 0 0 0 6.9250 -9.6042 0.0000 O 0 0 0 0 0 0 0 0 0 8.2250 -6.9542 0.0000 N 0 0 3 0 0 0 0 0 0 8.9542 -9.8292 0.0000 O 0 0 0 0 0 0 0 0 0 9.6542 -8.5875 0.0000 N 0 0 0 0 0 0 0 0 0 7.5167 -7.3750 0.0000 C 0 0 0 0 0 0 0 0 0 8.9375 -7.3750 0.0000 C 0 0 0 0 0 0 0 0 0 6.0792 -9.0250 0.0000 C 0 0 0 0 0 0 0 0 0 6.7917 -7.7792 0.0000 C 0 0 0 0 0 0 0 0 0 5.3667 -7.7875 0.0000 C 0 0 0 0 0 0 0 0 0 5.3667 -8.6125 0.0000 C 0 0 0 0 0 0 0 0 0 6.0792 -7.3667 0.0000 C 0 0 0 0 0 0 0 0 0 10.3750 -8.9875 0.0000 O 0 0 0 0 0 0 0 0 0 8.2250 -6.1292 0.0000 C 0 0 0 0 0 0 0 0 0 8.9417 -4.9000 0.0000 O 0 0 0 0 0 0 0 0 0 8.2292 -4.4875 0.0000 C 0 0 0 0 0 0 0 0 0 8.9417 -5.7167 0.0000 C 0 0 0 0 0 0 0 0 0 4.6500 -7.3667 0.0000 O 0 0 0 0 0 0 0 0 0 3.9375 -7.7792 0.0000 C 0 0 0 0 0 0 0 0 0 8.2292 -3.6667 0.0000 C 0 0 0 0 0 0 0 0 0 7.5167 -4.9042 0.0000 C 0 0 0 0 0 0 0 0 0 3.2167 -7.3667 0.0000 C 0 0 0 0 0 0 0 0 0 2.5042 -7.7792 0.0000 C 0 0 0 0 0 0 0 0 0 1.7917 -7.3667 0.0000 C 0 0 0 0 0 0 0 0 0 7.5167 -3.2542 0.0000 C 0 0 0 0 0 0 0 0 0 6.8042 -4.4917 0.0000 C 0 0 0 0 0 0 0 0 0 6.8042 -3.6625 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 1 1 0 0 0 5 1 1 0 0 0 6 2 1 0 0 0 7 2 2 0 0 0 8 2 2 0 0 0 9 13 1 0 0 0 10 3 2 0 0 0 11 3 1 0 0 0 12 4 1 0 0 0 13 5 1 0 0 0 14 6 2 0 0 0 15 6 1 0 0 0 16 18 1 0 0 0 17 14 1 0 0 0 18 15 2 0 0 0 19 11 1 0 0 0 20 9 1 0 0 0 21 23 1 0 0 0 22 21 1 0 0 0 23 20 1 0 0 0 24 16 1 0 0 0 25 24 1 0 0 0 26 22 2 0 0 0 27 22 1 0 0 0 28 25 1 0 0 0 29 28 1 0 0 0 30 29 1 0 0 0 31 26 1 0 0 0 32 27 2 0 0 0 33 32 1 0 0 0 12 9 1 0 0 0 16 17 2 0 0 0 31 33 2 0 0 0 M END > 8.69897000433602 > 5.53760200210104 $$$$ 11280715162D 1 1.00000 0.00000 0 30 32 0 0 0 999 V2000 5.1542 -2.5250 0.0000 S 0 0 3 0 0 0 0 0 0 4.4417 -2.1167 0.0000 N 0 0 3 0 0 0 0 0 0 3.7292 -2.5292 0.0000 C 0 0 0 0 0 0 0 0 0 3.0125 -2.1167 0.0000 C 0 0 0 0 0 0 0 0 0 3.7292 -3.3625 0.0000 C 0 0 0 0 0 0 0 0 0 3.0042 -1.2917 0.0000 C 0 0 0 0 0 0 0 0 0 5.8667 -2.9375 0.0000 C 0 0 0 0 0 0 0 0 0 5.1542 -3.3500 0.0000 O 0 0 0 0 0 0 0 0 0 5.8667 -2.1125 0.0000 O 0 0 0 0 0 0 0 0 0 4.4417 -3.7750 0.0000 C 0 0 0 0 0 0 0 0 0 4.4417 -4.6000 0.0000 N 0 0 3 0 0 0 0 0 0 3.7250 -0.8792 0.0000 O 0 0 0 0 0 0 0 0 0 2.2917 -0.8875 0.0000 N 0 0 0 0 0 0 0 0 0 6.5750 -2.5250 0.0000 C 0 0 0 0 0 0 0 0 0 5.8667 -3.7542 0.0000 C 0 0 0 0 0 0 0 0 0 4.4500 -6.2417 0.0000 O 0 0 0 0 0 0 0 0 0 4.4375 -1.2917 0.0000 C 0 0 0 0 0 0 0 0 0 2.3000 -2.5375 0.0000 C 0 0 0 0 0 0 0 0 0 3.0125 -3.7750 0.0000 C 0 0 0 0 0 0 0 0 0 7.2917 -3.7542 0.0000 C 0 0 0 0 0 0 0 0 0 7.2875 -2.9292 0.0000 C 0 0 0 0 0 0 0 0 0 6.5792 -4.1667 0.0000 C 0 0 0 0 0 0 0 0 0 2.2917 -0.0625 0.0000 O 0 0 0 0 0 0 0 0 0 8.0000 -4.1625 0.0000 O 0 0 0 0 0 0 0 0 0 3.7292 -5.0125 0.0000 C 0 0 0 0 0 0 0 0 0 5.1542 -5.0042 0.0000 C 0 0 0 0 0 0 0 0 0 2.3000 -3.3625 0.0000 C 0 0 0 0 0 0 0 0 0 5.1667 -5.8292 0.0000 C 0 0 0 0 0 0 0 0 0 3.7292 -5.8292 0.0000 C 0 0 0 0 0 0 0 0 0 8.7125 -3.7417 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 2 0 0 0 5 3 1 0 0 0 6 4 1 0 0 0 7 1 1 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 5 1 0 0 0 11 10 1 0 0 0 12 6 2 0 0 0 13 6 1 0 0 0 14 7 1 0 0 0 15 7 2 0 0 0 16 28 1 0 0 0 17 2 1 0 0 0 18 4 1 0 0 0 19 5 2 0 0 0 20 22 2 0 0 0 21 14 2 0 0 0 22 15 1 0 0 0 23 13 1 0 0 0 24 20 1 0 0 0 25 11 1 0 0 0 26 11 1 0 0 0 27 19 1 0 0 0 28 26 1 0 0 0 29 25 1 0 0 0 30 24 1 0 0 0 21 20 1 0 0 0 27 18 2 0 0 0 16 29 1 0 0 0 M END > 7.85387196432176 > 6.21609642072726 $$$$ 11280715072D 1 1.00000 0.00000 0 40 42 0 1 0 999 V2000 5.3792 -2.5917 0.0000 N 0 0 0 0 0 0 0 0 0 4.6667 -3.0125 0.0000 C 0 0 0 0 0 0 0 0 0 2.5250 -2.6125 0.0000 P 0 0 3 0 0 0 0 0 0 3.9500 -2.6042 0.0000 C 0 0 3 0 0 0 0 0 0 6.0917 -3.0042 0.0000 C 0 0 2 0 0 0 0 0 0 6.8042 -2.5875 0.0000 C 0 0 0 0 0 0 0 0 0 3.2375 -3.0167 0.0000 C 0 0 0 0 0 0 0 0 0 6.1000 -3.8292 0.0000 C 0 0 3 0 0 0 0 0 0 2.5167 -1.7875 0.0000 O 0 0 0 0 0 0 0 0 0 4.6667 -3.8375 0.0000 O 0 0 0 0 0 0 0 0 0 3.9417 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 6.8042 -1.7625 0.0000 O 0 0 0 0 0 0 0 0 0 1.8125 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 7.5250 -3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 2.5167 -3.4375 0.0000 O 0 0 0 0 0 0 0 0 0 1.0917 -2.6167 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7625 -1.8042 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3333 -1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0500 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 4.6542 -1.3625 0.0000 C 0 0 0 0 0 0 0 0 0 -3.1958 -2.6375 0.0000 C 0 0 0 0 0 0 0 0 0 1.0875 -1.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0.3667 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4833 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3333 -2.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0.3792 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7625 -2.6375 0.0000 C 0 0 0 0 0 0 0 0 0 -3.1958 -1.8125 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4833 -3.0500 0.0000 C 0 0 0 0 0 0 0 0 0 4.6542 -0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 5.2750 -3.8250 0.0000 C 0 0 0 0 0 0 0 0 0 6.9250 -3.8292 0.0000 C 0 0 0 0 0 0 0 0 0 6.1125 -4.6542 0.0000 C 0 0 0 0 0 0 0 0 0 8.2375 -2.5792 0.0000 C 0 0 0 0 0 0 0 0 0 -3.9083 -3.0500 0.0000 C 0 0 0 0 0 0 0 0 0 3.9417 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 5.3667 -0.1250 0.0000 C 0 0 0 0 0 0 0 0 0 5.3625 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 3.9292 0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 4.6417 1.1083 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 7 1 0 0 0 4 2 1 0 0 0 5 1 1 0 0 0 6 5 1 0 0 0 7 4 1 0 0 0 5 8 1 6 0 0 9 3 2 0 0 0 10 2 2 0 0 0 4 11 1 0 0 0 12 6 2 0 0 0 13 3 1 0 0 0 14 6 1 0 0 0 15 3 1 0 0 0 16 13 1 0 0 0 17 19 1 0 0 0 18 25 2 0 0 0 19 18 1 0 0 0 20 11 1 0 0 0 21 29 1 0 0 0 22 16 1 0 0 0 23 22 2 0 0 0 24 17 2 0 0 0 25 26 1 0 0 0 26 16 2 0 0 0 27 17 1 0 0 0 28 24 1 0 0 0 29 27 2 0 0 0 30 20 1 0 0 0 31 8 1 0 0 0 32 8 1 0 0 0 33 8 1 0 0 0 34 14 1 0 0 0 35 21 1 0 0 0 36 30 1 0 0 0 37 30 2 0 0 0 38 37 1 0 0 0 39 36 2 0 0 0 40 38 2 0 0 0 40 39 1 0 0 0 18 23 1 0 0 0 21 28 2 0 0 0 M END > 7.53760200210104 > 5.79588001734407 $$$$ 11280715212D 1 1.00000 0.00000 0 27 29 0 1 0 999 V2000 -1.4625 2.1125 0.0000 S 0 0 3 0 0 0 0 0 0 -2.9083 2.1250 0.0000 C 0 0 1 0 0 0 0 0 0 -2.1875 2.5458 0.0000 N 0 0 0 0 0 0 0 0 0 -3.6250 2.5458 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7375 1.6875 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0333 2.8458 0.0000 O 0 0 0 0 0 0 0 0 0 -1.7458 1.3875 0.0000 O 0 0 0 0 0 0 0 0 0 -3.6250 3.3833 0.0000 O 0 0 0 0 0 0 0 0 0 -4.3458 2.1250 0.0000 N 0 0 0 0 0 0 0 0 0 -2.1833 1.7083 0.0000 C 0 0 0 0 0 0 0 0 0 -3.6333 0.8750 0.0000 O 0 0 0 0 0 0 0 0 0 1.4167 0.4375 0.0000 O 0 0 0 0 0 0 0 0 0 -0.7375 0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0208 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 -3.6333 1.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0.7000 0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 1.4167 -0.3917 0.0000 C 0 0 0 0 0 0 0 0 0 1.4167 -2.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0.7000 1.6875 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0208 0.4333 0.0000 C 0 0 0 0 0 0 0 0 0 1.4167 -2.8792 0.0000 Cl 0 0 0 0 0 0 0 0 0 -4.3458 1.2958 0.0000 O 0 0 0 0 0 0 0 0 0 2.1292 -0.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0.6917 -0.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0.6917 -1.6375 0.0000 C 0 0 0 0 0 0 0 0 0 2.1417 -1.6292 0.0000 C 0 0 0 0 0 0 0 0 0 -2.1875 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 2 3 1 1 0 0 3 1 1 0 0 0 4 2 1 0 0 0 5 1 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 4 2 0 0 0 9 4 1 0 0 0 10 2 1 0 0 0 11 15 1 0 0 0 12 16 1 0 0 0 13 5 2 0 0 0 14 5 1 0 0 0 15 2 1 0 0 0 16 19 1 0 0 0 17 12 1 0 0 0 18 25 2 0 0 0 19 14 2 0 0 0 20 13 1 0 0 0 21 18 1 0 0 0 22 9 1 0 0 0 23 17 1 0 0 0 24 17 2 0 0 0 25 24 1 0 0 0 26 23 2 0 0 0 27 10 1 0 0 0 16 20 2 0 0 0 27 11 1 0 0 0 18 26 1 0 0 0 M END > 9.03151705144606 > 6.06048074738138 $$$$ SciTegic01161211252D 28 31 0 0 0 0 999 V2000 7.2648 -23.4588 0.0000 C 0 0 8.0926 -23.4592 0.0000 S 0 0 8.5040 -24.1740 0.0000 N 0 0 7.8708 -22.6559 0.0000 O 0 0 8.8020 -23.0403 0.0000 O 0 0 8.0919 -24.8885 0.0000 C 0 0 1 0 0 0 7.3788 -25.3037 0.0000 C 0 0 1 0 0 0 8.0933 -25.7158 0.0000 C 0 0 2 0 0 0 8.5021 -26.4293 0.0000 C 0 0 8.0881 -27.1446 0.0000 C 0 0 8.4993 -27.8583 0.0000 C 0 0 9.3284 -27.8585 0.0000 C 0 0 9.7395 -27.1401 0.0000 C 0 0 9.3247 -26.4267 0.0000 C 0 0 8.8020 -25.3040 0.0000 C 0 0 8.8043 -26.1276 0.0000 O 0 0 6.7777 -22.7922 0.0000 S 0 0 5.9903 -23.0477 0.0000 C 0 0 5.9900 -23.8755 0.0000 C 0 0 6.7771 -24.1316 0.0000 C 0 0 5.3231 -22.5677 0.0000 N 0 0 5.3234 -21.7442 0.0000 N 0 0 4.5402 -21.4893 0.0000 C 0 0 4.0557 -22.1554 0.0000 C 0 0 4.5396 -22.8219 0.0000 C 0 0 3.2321 -22.1551 0.0000 Cl 0 0 6.5552 -25.3053 0.0000 C 0 0 9.5177 -24.8898 0.0000 O 0 0 12 13 1 0 13 14 2 0 14 9 1 0 8 9 1 1 6 15 1 1 15 16 2 0 1 17 1 0 1 2 1 0 2 3 1 0 2 4 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 1 2 0 21 22 1 0 2 5 2 0 3 6 1 0 7 6 1 0 8 7 1 0 6 8 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 21 1 0 18 21 1 0 9 10 2 0 24 26 1 0 10 11 1 0 7 27 1 1 11 12 2 0 15 28 1 0 M END > 8.46852108295774 > 6.74472749489669 $$$$ 11280715332D 1 1.00000 0.00000 0 21 22 0 1 0 999 V2000 5.9167 -3.8167 0.0000 S 0 0 3 0 0 0 0 0 0 6.2042 -4.6000 0.0000 N 0 0 3 0 0 0 0 0 0 5.6750 -5.2292 0.0000 C 0 0 1 0 0 0 0 0 0 4.8500 -5.1875 0.0000 C 0 0 0 0 0 0 0 0 0 6.6917 -3.5292 0.0000 C 0 0 0 0 0 0 0 0 0 6.9667 -4.9042 0.0000 C 0 0 0 0 0 0 0 0 0 6.9042 -5.7292 0.0000 C 0 0 0 0 0 0 0 0 0 5.6292 -3.0417 0.0000 O 0 0 0 0 0 0 0 0 0 5.1375 -4.1042 0.0000 O 0 0 0 0 0 0 0 0 0 6.1125 -5.9250 0.0000 C 0 0 0 0 0 0 0 0 0 4.4750 -4.4542 0.0000 O 0 0 0 0 0 0 0 0 0 4.3917 -5.8792 0.0000 N 0 0 0 0 0 0 0 0 0 7.5292 -6.2667 0.0000 C 0 0 0 0 0 0 0 0 0 7.3250 -4.0542 0.0000 C 0 0 0 0 0 0 0 0 0 6.8375 -2.7167 0.0000 C 0 0 0 0 0 0 0 0 0 8.2417 -2.9667 0.0000 C 0 0 0 0 0 0 0 0 0 7.6042 -2.4375 0.0000 C 0 0 0 0 0 0 0 0 0 8.0917 -3.7750 0.0000 C 0 0 0 0 0 0 0 0 0 3.5667 -5.8375 0.0000 O 0 0 0 0 0 0 0 0 0 9.0250 -2.6792 0.0000 O 0 0 0 0 0 0 0 0 0 9.6542 -3.2167 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 1 1 0 0 0 6 2 1 0 0 0 7 6 1 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 3 10 1 6 0 0 11 4 2 0 0 0 12 4 1 0 0 0 13 7 2 0 0 0 14 5 2 0 0 0 15 5 1 0 0 0 16 17 1 0 0 0 17 15 2 0 0 0 18 14 1 0 0 0 19 12 1 0 0 0 20 16 1 0 0 0 21 20 1 0 0 0 16 18 2 0 0 0 7 10 1 0 0 0 M END > 8.39794000867204 > 7.04575749056067 $$$$ SciTegic01161211243D 27 28 0 0 0 0 999 V2000 -3.1961 -9.3453 0.0000 C 0 0 -3.1974 -10.1729 0.0000 C 0 0 -2.4844 -10.5857 0.0000 C 0 0 -1.7651 -10.1724 0.0000 C 0 0 -1.7682 -9.3413 0.0000 C 0 0 -2.4864 -8.9324 0.0000 C 0 0 -2.4854 -11.4059 0.0000 C 0 0 -3.2023 -11.8165 0.0000 C 0 0 -3.2039 -12.6408 0.0000 C 0 0 -2.4896 -13.0553 0.0000 C 0 0 -1.7721 -12.6395 0.0000 C 0 0 -1.7739 -11.8167 0.0000 C 0 0 -2.4903 -8.1075 0.0000 S 0 0 -2.4979 -7.2783 0.0000 N 0 0 -1.6653 -8.1017 0.0000 O 0 0 -3.3153 -8.1175 0.0000 O 0 0 -1.7873 -6.8592 0.0000 C 0 0 -1.0691 -7.2652 0.0000 C 0 0 -0.3584 -6.8461 0.0000 N 0 0 -1.0615 -8.0901 0.0000 O 0 0 0.3598 -7.2520 0.0000 O 0 0 -3.2161 -6.8723 0.0000 O 0 0 -3.2236 -6.0474 0.0000 C 0 0 -3.9419 -5.6414 0.0000 C 0 0 -2.5130 -5.6283 0.0000 C 0 0 -2.4899 -13.8803 0.0000 S 0 0 -3.2045 -14.2926 0.0000 C 0 0 6 13 1 0 1 2 2 0 13 14 1 0 3 4 2 0 13 15 2 0 7 8 2 0 13 16 2 0 14 17 1 0 8 9 1 0 17 18 1 0 4 5 1 0 18 19 1 0 9 10 2 0 18 20 2 0 2 3 1 0 19 21 1 0 10 11 1 0 14 22 1 0 5 6 2 0 22 23 1 0 11 12 2 0 23 24 1 0 12 7 1 0 23 25 1 0 3 7 1 0 10 26 1 0 6 1 1 0 26 27 1 0 M END > 8.14266750356873 > 5.48148606012211 $$$$ 11280715192D 1 1.00000 0.00000 0 33 35 0 1 0 999 V2000 1.7542 -1.2625 0.0000 S 0 0 3 0 0 0 0 0 0 1.7542 -0.4375 0.0000 N 0 0 3 0 0 0 0 0 0 2.4667 -0.0167 0.0000 C 0 0 2 0 0 0 0 0 0 1.7417 1.2208 0.0000 N 0 0 3 0 0 0 0 0 0 2.4625 0.8083 0.0000 C 0 0 1 0 0 0 0 0 0 3.1792 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 1.0292 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 1.7375 2.0458 0.0000 C 0 0 0 0 0 0 0 0 0 1.0250 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 1.7625 -2.0875 0.0000 C 0 0 0 0 0 0 0 0 0 2.4750 -0.8500 0.0000 O 0 0 0 0 0 0 0 0 0 1.0417 -0.8542 0.0000 O 0 0 0 0 0 0 0 0 0 3.1917 -1.2417 0.0000 O 0 0 0 0 0 0 0 0 0 2.4417 2.4625 0.0000 O 0 0 0 0 0 0 0 0 0 3.9000 -0.0042 0.0000 N 0 0 0 0 0 0 0 0 0 3.1917 -4.5625 0.0000 C 0 0 0 0 0 0 0 0 0 2.4750 -4.9750 0.0000 C 0 0 0 0 0 0 0 0 0 2.4792 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 1.0500 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 3.9000 -4.9792 0.0000 C 0 0 0 0 0 0 0 0 0 1.7625 -4.5625 0.0000 O 0 0 0 0 0 0 0 0 0 1.7625 -3.7417 0.0000 C 0 0 0 0 0 0 0 0 0 3.1750 1.2250 0.0000 C 0 0 0 0 0 0 0 0 0 2.4792 -3.3292 0.0000 C 0 0 0 0 0 0 0 0 0 1.0500 -3.3292 0.0000 C 0 0 0 0 0 0 0 0 0 4.6167 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 1.0167 2.4583 0.0000 C 0 0 0 0 0 0 0 0 0 3.9000 -5.8042 0.0000 C 0 0 0 0 0 0 0 0 0 3.1875 -3.7417 0.0000 C 0 0 0 0 0 0 0 0 0 4.6167 -4.5667 0.0000 C 0 0 0 0 0 0 0 0 0 3.1792 -6.2125 0.0000 C 0 0 0 0 0 0 0 0 0 4.6167 -3.7417 0.0000 C 0 0 0 0 0 0 0 0 0 3.8917 -3.3292 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 9 1 0 0 0 5 3 1 0 0 0 3 6 1 6 0 0 7 2 1 0 0 0 8 4 1 0 0 0 9 7 1 0 0 0 10 1 1 0 0 0 11 1 2 0 0 0 12 1 2 0 0 0 13 6 2 0 0 0 14 8 2 0 0 0 15 6 1 0 0 0 16 17 1 0 0 0 17 21 1 0 0 0 18 10 2 0 0 0 19 10 1 0 0 0 20 16 2 0 0 0 21 22 1 0 0 0 22 25 1 0 0 0 5 23 1 1 0 0 24 18 1 0 0 0 25 19 2 0 0 0 26 15 1 0 0 0 27 8 1 0 0 0 28 20 1 0 0 0 29 16 1 0 0 0 30 20 1 0 0 0 31 28 1 0 0 0 32 33 1 0 0 0 33 29 2 0 0 0 22 24 2 0 0 0 5 4 1 0 0 0 30 32 2 0 0 0 M END > 7.39794000867204 > 5.17392519729917 $$$$ 11280715172D 1 1.00000 0.00000 0 31 32 0 0 0 999 V2000 1.8042 -3.4667 0.0000 S 0 0 3 0 0 0 0 0 0 1.2042 -3.4667 0.0000 N 0 0 3 0 0 0 0 0 0 0.9042 -3.9792 0.0000 C 0 0 3 0 0 0 0 0 0 1.2042 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 1.8042 -2.8667 0.0000 C 0 0 0 0 0 0 0 0 0 1.8042 -4.0667 0.0000 O 0 0 0 0 0 0 0 0 0 2.4042 -3.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0.7792 -3.0417 0.0000 C 0 0 0 0 0 0 0 0 0 1.7792 -4.6542 0.0000 O 0 0 0 0 0 0 0 0 0 1.0417 -5.0792 0.0000 N 0 0 0 0 0 0 0 0 0 0.3167 -4.1292 0.0000 C 0 0 0 0 0 0 0 0 0 1.2917 -2.5667 0.0000 C 0 0 0 0 0 0 0 0 0 2.3292 -2.5667 0.0000 C 0 0 0 0 0 0 0 0 0 1.8042 -1.6667 0.0000 C 0 0 0 0 0 0 0 0 0 2.3292 -1.9667 0.0000 C 0 0 0 0 0 0 0 0 0 1.2917 -1.9667 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5833 -4.6500 0.0000 S 0 0 0 0 0 0 0 0 0 1.0417 -5.6792 0.0000 O 0 0 0 0 0 0 0 0 0 1.8042 -1.0667 0.0000 O 0 0 0 0 0 0 0 0 0 -1.4708 -5.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0.1792 -3.0375 0.0000 C 0 0 3 0 0 0 0 0 0 0.0167 -4.6542 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8833 -5.1667 0.0000 C 0 0 0 0 0 0 0 0 0 2.3167 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 -1.8958 -4.8875 0.0000 C 0 0 0 0 0 0 0 0 0 -1.6333 -5.9000 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2458 -3.4542 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2458 -2.6125 0.0000 C 0 0 0 0 0 0 0 0 0 -2.2083 -6.0542 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4833 -5.0417 0.0000 C 0 0 0 0 0 0 0 0 0 -2.6333 -5.6250 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 1 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 2 1 0 0 0 9 4 2 0 0 0 10 4 1 0 0 0 11 3 1 0 0 0 12 5 1 0 0 0 13 5 2 0 0 0 14 15 2 0 0 0 15 13 1 0 0 0 16 12 2 0 0 0 17 22 1 0 0 0 18 10 1 0 0 0 19 14 1 0 0 0 20 23 1 0 0 0 21 8 1 0 0 0 22 11 1 0 0 0 23 17 1 0 0 0 24 19 1 0 0 0 25 20 2 0 0 0 26 20 1 0 0 0 27 21 1 0 0 0 28 21 1 0 0 0 29 26 2 0 0 0 30 25 1 0 0 0 31 29 1 0 0 0 16 14 1 0 0 0 31 30 2 0 0 0 M END > 7.92081875395237 > 6.98296666070122 $$$$ 11280715482D 1 1.00000 0.00000 0 27 28 0 0 0 999 V2000 3.3667 -1.1125 0.0000 S 0 0 3 0 0 0 0 0 0 2.5417 -1.1542 0.0000 N 0 0 3 0 0 0 0 0 0 2.1000 -0.4542 0.0000 C 0 0 3 0 0 0 0 0 0 0.9000 -1.2250 0.0000 N 0 0 3 0 0 0 0 0 0 2.4792 0.2750 0.0000 C 0 0 0 0 0 0 0 0 0 1.2792 -0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 2.1667 -1.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0.0750 -1.2625 0.0000 C 0 0 0 0 0 0 0 0 0 4.1917 -1.0750 0.0000 C 0 0 0 0 0 0 0 0 0 3.3667 -0.2875 0.0000 O 0 0 0 0 0 0 0 0 0 3.3667 -1.9375 0.0000 O 0 0 0 0 0 0 0 0 0 6.7375 -2.3792 0.0000 C 0 0 0 0 0 0 0 0 0 6.3167 -3.0917 0.0000 C 0 0 0 0 0 0 0 0 0 1.3417 -1.9167 0.0000 C 0 0 0 0 0 0 0 0 0 3.2750 0.4958 0.0000 O 0 0 0 0 0 0 0 0 0 -0.3083 -1.9917 0.0000 O 0 0 0 0 0 0 0 0 0 1.9625 0.9208 0.0000 N 0 0 0 0 0 0 0 0 0 4.5750 -0.3417 0.0000 C 0 0 0 0 0 0 0 0 0 4.6375 -1.7667 0.0000 C 0 0 0 0 0 0 0 0 0 5.8417 -0.9917 0.0000 C 0 0 0 0 0 0 0 0 0 5.4625 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 2.2542 1.6875 0.0000 O 0 0 0 0 0 0 0 0 0 7.1167 -1.6417 0.0000 C 0 0 0 0 0 0 0 0 0 6.6667 -0.9542 0.0000 O 0 0 0 0 0 0 0 0 0 -0.3708 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 5.9042 -3.8042 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 14 1 0 0 0 5 3 1 0 0 0 6 3 1 0 0 0 7 2 1 0 0 0 8 4 1 0 0 0 9 1 1 0 0 0 10 1 2 0 0 0 11 1 2 0 0 0 12 24 1 0 0 0 13 12 3 0 0 0 14 7 1 0 0 0 15 5 2 0 0 0 16 8 2 0 0 0 17 5 1 0 0 0 18 9 2 0 0 0 19 9 1 0 0 0 20 21 1 0 0 0 21 19 2 0 0 0 22 18 1 0 0 0 23 17 1 0 0 0 24 25 1 0 0 0 25 20 1 0 0 0 26 8 1 0 0 0 27 13 1 0 0 0 22 20 2 0 0 0 6 4 1 0 0 0 M END > 7.65757731917779 > 6.44733178388781 $$$$ 11280715452D 1 1.00000 0.00000 0 33 35 0 1 0 999 V2000 0.1292 -1.1667 0.0000 S 0 0 3 0 0 0 0 0 0 0.1292 -0.3417 0.0000 N 0 0 3 0 0 0 0 0 0 0.8417 0.0708 0.0000 C 0 0 1 0 0 0 0 0 0 1.5542 -0.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0.1250 -1.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0.8417 0.8958 0.0000 C 0 0 1 0 0 0 0 0 0 0.9542 -1.1667 0.0000 O 0 0 0 0 0 0 0 0 0 -0.6958 -1.1625 0.0000 O 0 0 0 0 0 0 0 0 0 1.9625 -1.0542 0.0000 O 0 0 0 0 0 0 0 0 0 2.2667 0.0708 0.0000 N 0 0 0 0 0 0 0 0 0 -0.5833 0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0.8292 -2.4042 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5958 -2.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0.1000 -4.4625 0.0000 O 0 0 0 0 0 0 0 0 0 0.1042 -3.6375 0.0000 C 0 0 0 0 0 0 0 0 0 1.6375 1.1083 0.0000 O 0 0 0 0 0 0 0 0 0 2.9500 -3.6375 0.0000 C 0 0 0 0 0 0 0 0 0 1.5250 -4.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0.8125 -4.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0.8250 -3.2292 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6083 -3.2167 0.0000 C 0 0 0 0 0 0 0 0 0 3.6625 -3.2167 0.0000 F 0 0 0 0 0 0 0 0 0 2.9792 -0.3417 0.0000 O 0 0 0 0 0 0 0 0 0 2.9500 -4.4625 0.0000 C 0 0 0 0 0 0 0 0 0 2.2292 -3.2250 0.0000 C 0 0 0 0 0 0 0 0 0 2.2292 -4.8750 0.0000 C 0 0 0 0 0 0 0 0 0 1.5167 -3.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0.1292 1.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0.8375 1.7208 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5833 0.8958 0.0000 C 0 0 0 0 0 0 0 0 0 1.5417 2.1458 0.0000 C 0 0 0 0 0 0 0 0 0 1.5375 2.9625 0.0000 C 0 0 0 0 0 0 0 0 0 2.2500 3.3833 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 3 4 1 6 0 0 5 1 1 0 0 0 6 3 1 0 0 0 7 1 2 0 0 0 8 1 2 0 0 0 9 4 2 0 0 0 10 4 1 0 0 0 11 2 1 0 0 0 12 5 1 0 0 0 13 5 2 0 0 0 14 15 1 0 0 0 15 21 2 0 0 0 6 16 1 6 0 0 17 25 1 0 0 0 18 19 1 0 0 0 19 14 1 0 0 0 20 12 2 0 0 0 21 13 1 0 0 0 22 17 1 0 0 0 23 10 1 0 0 0 24 26 1 0 0 0 25 27 2 0 0 0 26 18 2 0 0 0 27 18 1 0 0 0 28 30 1 0 0 0 6 29 1 1 0 0 30 11 1 0 0 0 31 29 1 0 0 0 32 31 1 0 0 0 33 32 1 0 0 0 15 20 1 0 0 0 28 6 1 0 0 0 17 24 2 0 0 0 M END > 8.30980391997149 > 5.53760200210104 $$$$ 11280715002D 1 1.00000 0.00000 0 27 28 0 0 0 999 V2000 5.5667 -7.1792 0.0000 S 0 0 3 0 0 0 0 0 0 5.0417 -6.8792 0.0000 N 0 0 3 0 0 0 0 0 0 7.1292 -5.0667 0.0000 N 0 3 0 0 0 0 0 0 0 4.5167 -7.1792 0.0000 C 0 0 0 0 0 0 0 0 0 3.9917 -6.8792 0.0000 C 0 0 0 0 0 0 0 0 0 6.0792 -7.4792 0.0000 C 0 0 0 0 0 0 0 0 0 5.8667 -6.6542 0.0000 O 0 0 0 0 0 0 0 0 0 5.2625 -7.6917 0.0000 O 0 0 0 0 0 0 0 0 0 6.6125 -5.3667 0.0000 C 0 0 0 0 0 0 0 0 0 7.6542 -5.3667 0.0000 O 0 5 0 0 0 0 0 0 0 5.0417 -6.2750 0.0000 C 0 0 0 0 0 0 0 0 0 7.1292 -4.4625 0.0000 O 0 0 0 0 0 0 0 0 0 3.4750 -7.1792 0.0000 O 0 0 0 0 0 0 0 0 0 3.9917 -6.2750 0.0000 N 0 0 0 0 0 0 0 0 0 6.0792 -8.0792 0.0000 C 0 0 0 0 0 0 0 0 0 6.6000 -7.1750 0.0000 C 0 0 0 0 0 0 0 0 0 6.6125 -5.9667 0.0000 C 0 0 0 0 0 0 0 0 0 6.0792 -5.0667 0.0000 C 0 0 0 0 0 0 0 0 0 5.5667 -5.9667 0.0000 C 0 0 0 0 0 0 0 0 0 7.1292 -8.0792 0.0000 C 0 0 0 0 0 0 0 0 0 5.5667 -5.3667 0.0000 C 0 0 0 0 0 0 0 0 0 6.0792 -6.2750 0.0000 C 0 0 0 0 0 0 0 0 0 7.1292 -7.4667 0.0000 C 0 0 0 0 0 0 0 0 0 6.6042 -8.3792 0.0000 C 0 0 0 0 0 0 0 0 0 3.4750 -5.9667 0.0000 O 0 0 0 0 0 0 0 0 0 7.6542 -8.3792 0.0000 O 0 0 0 0 0 0 0 0 0 8.1750 -8.0792 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 9 1 0 0 0 4 2 1 0 0 0 5 4 1 0 0 0 6 1 1 0 0 0 7 1 2 0 0 0 8 1 2 0 0 0 9 17 2 0 0 0 10 3 1 0 0 0 11 2 1 0 0 0 12 3 2 0 0 0 13 5 2 0 0 0 14 5 1 0 0 0 15 6 2 0 0 0 16 6 1 0 0 0 17 22 1 0 0 0 18 21 2 0 0 0 19 11 1 0 0 0 20 23 1 0 0 0 21 19 1 0 0 0 22 19 2 0 0 0 23 16 2 0 0 0 24 15 1 0 0 0 25 14 1 0 0 0 26 20 1 0 0 0 27 26 1 0 0 0 24 20 2 0 0 0 9 18 1 0 0 0 M CHG 2 3 1 10 -1 M END > 7.69897000433602 > 7.69897000433602 $$$$ 11280715172D 1 1.00000 0.00000 0 32 34 0 1 0 999 V2000 1.5542 -1.4792 0.0000 N 0 0 3 0 0 0 0 0 0 1.5917 -0.8167 0.0000 S 0 0 3 0 0 0 0 0 0 1.9792 -1.9042 0.0000 C 0 0 2 0 0 0 0 0 0 1.0500 -2.5042 0.0000 C 0 0 3 0 0 0 0 0 0 1.9750 -2.5042 0.0000 C 0 0 3 0 0 0 0 0 0 1.0292 -1.7875 0.0000 C 0 0 0 0 0 0 0 0 0 2.5542 -1.7417 0.0000 C 0 0 0 0 0 0 0 0 0 1.7125 -0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 1.0167 -0.8500 0.0000 O 0 0 0 0 0 0 0 0 0 2.1292 -0.8500 0.0000 O 0 0 0 0 0 0 0 0 0 2.5500 -1.2625 0.0000 O 0 0 0 0 0 0 0 0 0 2.3917 -2.9292 0.0000 C 0 0 2 0 0 0 0 0 0 3.0667 -2.0417 0.0000 N 0 0 0 0 0 0 0 0 0 2.9042 -3.8292 0.0000 S 0 0 0 0 0 0 0 0 0 2.3917 -3.5292 0.0000 C 0 0 0 0 0 0 0 0 0 1.3417 0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 2.3042 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 2.1542 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0.8250 -2.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0.5417 -2.5042 0.0000 C 0 0 0 0 0 0 0 0 0 2.9042 -4.4292 0.0000 C 0 0 0 0 0 0 0 0 0 1.5625 0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 2.5292 0.3958 0.0000 C 0 0 0 0 0 0 0 0 0 3.6667 -2.0417 0.0000 O 0 0 0 0 0 0 0 0 0 1.8667 -3.2250 0.0000 O 0 0 0 0 0 0 0 0 0 2.3667 1.4208 0.0000 O 0 0 0 0 0 0 0 0 0 3.4292 -4.7250 0.0000 C 0 0 0 0 0 0 0 0 0 2.3792 -4.7250 0.0000 C 0 0 0 0 0 0 0 0 0 2.9625 1.5208 0.0000 C 0 0 0 0 0 0 0 0 0 2.3792 -5.3250 0.0000 C 0 0 0 0 0 0 0 0 0 3.4292 -5.3250 0.0000 C 0 0 0 0 0 0 0 0 0 2.9042 -5.6250 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 6 1 0 0 0 3 5 1 1 0 0 6 1 1 0 0 0 7 3 1 0 0 0 8 2 1 0 0 0 9 2 2 0 0 0 10 2 2 0 0 0 11 7 2 0 0 0 12 5 1 0 0 0 13 7 1 0 0 0 14 15 1 0 0 0 15 12 1 0 0 0 16 8 1 0 0 0 17 8 2 0 0 0 18 23 2 0 0 0 19 4 1 0 0 0 20 4 1 0 0 0 21 14 1 0 0 0 22 16 2 0 0 0 23 17 1 0 0 0 24 13 1 0 0 0 12 25 1 1 0 0 26 18 1 0 0 0 27 21 1 0 0 0 28 21 2 0 0 0 29 26 1 0 0 0 30 28 1 0 0 0 31 27 2 0 0 0 32 30 2 0 0 0 5 4 1 0 0 0 22 18 1 0 0 0 31 32 1 0 0 0 M END > 7.74232142513082 > 6.52143350440616 $$$$ 11280715512D 1 1.00000 0.00000 0 32 33 0 1 0 999 V2000 -0.6382 -9.3643 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6394 -10.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0.0746 -10.6031 0.0000 C 0 0 0 0 0 0 0 0 0 0.7903 -10.1903 0.0000 C 0 0 0 0 0 0 0 0 0 0.7874 -9.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0.0728 -8.9520 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3576 -10.6147 0.0000 S 0 0 3 0 0 0 0 0 0 -2.0809 -11.0374 0.0000 N 0 0 3 0 0 0 0 0 0 -0.9325 -11.3346 0.0000 O 0 0 0 0 0 0 0 0 0 -1.7849 -9.8937 0.0000 O 0 0 0 0 0 0 0 0 0 -2.8046 -10.6320 0.0000 C 0 0 2 0 0 0 0 0 0 -3.5134 -11.0513 0.0000 C 0 0 3 0 0 0 0 0 0 -3.5048 -11.8817 0.0000 S 0 0 0 0 0 0 0 0 0 -2.7728 -12.2830 0.0000 C 0 0 2 0 0 0 0 0 0 -2.0661 -11.8663 0.0000 C 0 0 0 0 0 0 0 0 0 -2.8197 -9.8080 0.0000 C 0 0 0 0 0 0 0 0 0 -2.1178 -9.3838 0.0000 O 0 0 0 0 0 0 0 0 0 -3.5450 -9.4041 0.0000 N 0 0 0 0 0 0 0 0 0 -3.5558 -8.5800 0.0000 O 0 0 0 0 0 0 0 0 0 1.5043 -8.9398 0.0000 O 0 0 0 0 0 0 0 0 0 2.2180 -9.3573 0.0000 C 0 0 0 0 0 0 0 0 0 2.2079 -10.1823 0.0000 C 0 0 0 0 0 0 0 0 0 2.2036 -11.0125 0.0000 C 0 0 0 0 0 0 0 0 0 2.1945 -11.8441 0.0000 C 0 0 0 0 0 0 0 0 0 -3.7291 -10.2550 0.0000 C 0 0 0 0 0 0 0 0 0 -4.3368 -11.0042 0.0000 C 0 0 0 0 0 0 0 0 0 -2.7586 -13.1087 0.0000 C 0 0 0 0 0 0 0 0 0 -3.4657 -13.5318 0.0000 N 0 0 0 0 0 0 0 0 0 -3.4528 -14.3557 0.0000 S 0 0 3 0 0 0 0 0 0 -3.4586 -15.1785 0.0000 C 0 0 0 0 0 0 0 0 0 -2.6287 -14.3522 0.0000 O 0 0 0 0 0 0 0 0 0 -4.2768 -14.3605 0.0000 O 0 0 0 0 0 0 0 0 0 3 4 2 0 0 0 11 16 1 0 0 0 7 8 1 0 0 0 16 17 2 0 0 0 16 18 1 0 0 0 7 9 2 0 0 0 18 19 1 0 0 0 4 5 1 0 0 0 5 20 1 0 0 0 7 10 2 0 0 0 20 21 1 0 0 0 8 11 1 0 0 0 21 22 1 0 0 0 2 3 1 0 0 0 22 23 3 0 0 0 5 6 2 0 0 0 23 24 1 0 0 0 6 1 1 0 0 0 12 25 1 0 0 0 1 2 2 0 0 0 12 26 1 0 0 0 2 7 1 0 0 0 8 15 1 0 0 0 27 28 1 0 0 0 14 27 1 6 0 0 11 12 1 6 0 0 28 29 1 0 0 0 12 13 1 0 0 0 29 30 1 0 0 0 13 14 1 0 0 0 29 31 2 0 0 0 14 15 1 0 0 0 29 32 2 0 0 0 M END > 7.85387196432176 > 7.72124639904717 $$$$ 11280715332D 1 1.00000 0.00000 0 26 27 0 1 0 999 V2000 5.9292 -2.7250 0.0000 S 0 0 3 0 0 0 0 0 0 6.1417 -3.5292 0.0000 N 0 0 3 0 0 0 0 0 0 5.5542 -4.1125 0.0000 C 0 0 1 0 0 0 0 0 0 4.7375 -3.9917 0.0000 C 0 0 0 0 0 0 0 0 0 6.8625 -3.9042 0.0000 C 0 0 0 0 0 0 0 0 0 6.7250 -4.7167 0.0000 C 0 0 0 0 0 0 0 0 0 5.9167 -4.8375 0.0000 C 0 0 0 0 0 0 0 0 0 6.7375 -2.5125 0.0000 C 0 0 0 0 0 0 0 0 0 7.2917 -5.3167 0.0000 N 0 0 0 0 0 0 0 0 0 5.7167 -1.9167 0.0000 O 0 0 0 0 0 0 0 0 0 5.1292 -2.9375 0.0000 O 0 0 0 0 0 0 0 0 0 4.4292 -3.2292 0.0000 O 0 0 0 0 0 0 0 0 0 8.0875 -5.1250 0.0000 O 0 0 0 0 0 0 0 0 0 4.2250 -4.6417 0.0000 N 0 0 0 0 0 0 0 0 0 8.6500 -5.7250 0.0000 C 0 0 3 0 0 0 0 0 0 6.9500 -1.7250 0.0000 C 0 0 0 0 0 0 0 0 0 7.3167 -3.0917 0.0000 C 0 0 0 0 0 0 0 0 0 8.3167 -2.0792 0.0000 C 0 0 0 0 0 0 0 0 0 8.1042 -2.8792 0.0000 C 0 0 0 0 0 0 0 0 0 7.7500 -1.5125 0.0000 C 0 0 0 0 0 0 0 0 0 3.4042 -4.5250 0.0000 O 0 0 0 0 0 0 0 0 0 9.1125 -1.8417 0.0000 O 0 0 0 0 0 0 0 0 0 8.0500 -6.2875 0.0000 C 0 0 0 0 0 0 0 0 0 9.2500 -5.1625 0.0000 C 0 0 0 0 0 0 0 0 0 9.2125 -6.3250 0.0000 C 0 0 0 0 0 0 0 0 0 9.7125 -2.4125 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 2 1 0 0 0 6 5 1 0 0 0 3 7 1 6 0 0 8 1 1 0 0 0 9 6 2 0 0 0 10 1 2 0 0 0 11 1 2 0 0 0 12 4 2 0 0 0 13 9 1 0 0 0 14 4 1 0 0 0 15 13 1 0 0 0 16 8 1 0 0 0 17 8 2 0 0 0 18 19 2 0 0 0 19 17 1 0 0 0 20 16 2 0 0 0 21 14 1 0 0 0 22 18 1 0 0 0 23 15 1 0 0 0 24 15 1 0 0 0 25 15 1 0 0 0 26 22 1 0 0 0 18 20 1 0 0 0 6 7 1 0 0 0 M END > 9.30102999566398 > 7.69897000433602 $$$$ 11280714452D 1 1.00000 0.00000 0 31 33 0 0 0 999 V2000 7.5167 -1.0625 0.0000 S 0 0 3 0 0 0 0 0 0 7.5167 -1.8875 0.0000 N 0 0 0 0 0 0 0 0 0 6.8000 -2.3000 0.0000 C 0 0 3 0 0 0 0 0 0 6.0875 -1.8875 0.0000 C 0 0 0 0 0 0 0 0 0 7.5167 -3.5375 0.0000 C 0 0 0 0 0 0 0 0 0 8.2292 -0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 8.2250 -3.9417 0.0000 C 0 0 0 0 0 0 0 0 0 7.3000 -0.2542 0.0000 O 0 0 0 0 0 0 0 0 0 6.7125 -1.2667 0.0000 O 0 0 0 0 0 0 0 0 0 9.6542 0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 10.3750 0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 6.0875 -1.0625 0.0000 O 0 0 0 0 0 0 0 0 0 8.2292 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 8.9417 -1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 9.6542 -0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 8.9417 0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 11.0875 0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 10.3667 1.4083 0.0000 C 0 0 0 0 0 0 0 0 0 6.8000 -3.1250 0.0000 C 0 0 0 0 0 0 0 0 0 8.9375 -4.3542 0.0000 C 0 0 0 0 0 0 0 0 0 5.3750 -2.3000 0.0000 O 0 0 0 0 0 0 0 0 0 11.8000 1.4125 0.0000 C 0 0 0 0 0 0 0 0 0 12.5125 1.8333 0.0000 S 0 0 0 0 0 0 0 0 0 11.8000 0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 11.0792 1.8250 0.0000 C 0 0 0 0 0 0 0 0 0 13.2292 1.4208 0.0000 C 0 0 0 0 0 0 0 0 0 9.6500 -3.9417 0.0000 C 0 0 0 0 0 0 0 0 0 8.9375 -5.1792 0.0000 C 0 0 0 0 0 0 0 0 0 9.6417 -5.5917 0.0000 C 0 0 0 0 0 0 0 0 0 10.3542 -4.3542 0.0000 C 0 0 0 0 0 0 0 0 0 10.3625 -5.1792 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 19 1 0 0 0 6 1 1 0 0 0 7 5 3 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 15 2 0 0 0 11 10 1 0 0 0 12 4 2 0 0 0 13 6 1 0 0 0 14 6 2 0 0 0 15 14 1 0 0 0 16 13 2 0 0 0 17 11 2 0 0 0 18 11 1 0 0 0 19 3 1 0 0 0 20 7 1 0 0 0 21 4 1 0 0 0 22 25 1 0 0 0 23 22 1 0 0 0 24 17 1 0 0 0 25 18 2 0 0 0 26 23 1 0 0 0 27 20 1 0 0 0 28 20 2 0 0 0 29 28 1 0 0 0 30 27 2 0 0 0 31 29 2 0 0 0 16 10 1 0 0 0 24 22 2 0 0 0 30 31 1 0 0 0 M END > 7.8 > 6.19997064075587 $$$$ 11280715072D 1 1.00000 0.00000 0 37 40 0 0 0 999 V2000 1.5542 -10.0500 0.0000 C 0 0 3 0 0 0 0 0 0 0.8417 -10.4667 0.0000 S 0 0 3 0 0 0 0 0 0 2.2750 -10.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0.8417 -9.6417 0.0000 C 0 0 0 0 0 0 0 0 0 2.2667 -9.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0.1250 -10.0542 0.0000 C 0 0 0 0 0 0 0 0 0 1.5542 -8.4000 0.0000 N 0 0 3 0 0 0 0 0 0 1.4250 -11.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0.2542 -11.0500 0.0000 O 0 0 0 0 0 0 0 0 0 6.5542 -6.3375 0.0000 N 0 0 3 0 0 0 0 0 0 2.2875 -11.2750 0.0000 O 0 0 0 0 0 0 0 0 0 2.9792 -10.0292 0.0000 N 0 0 0 0 0 0 0 0 0 2.2667 -8.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0.8417 -8.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0.1250 -9.2250 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5958 -10.4667 0.0000 C 0 0 0 0 0 0 0 0 0 1.5542 -7.5750 0.0000 C 0 0 0 0 0 0 0 0 0 2.2667 -7.1625 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3083 -9.2250 0.0000 C 0 0 0 0 0 0 0 0 0 3.7000 -6.3375 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3083 -10.0542 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5958 -8.8125 0.0000 C 0 0 0 0 0 0 0 0 0 3.7042 -10.4292 0.0000 O 0 0 0 0 0 0 0 0 0 2.2667 -6.3417 0.0000 C 0 0 0 0 0 0 0 0 0 2.9792 -7.5792 0.0000 C 0 0 0 0 0 0 0 0 0 3.6917 -7.1667 0.0000 C 0 0 0 0 0 0 0 0 0 2.9792 -5.9292 0.0000 C 0 0 0 0 0 0 0 0 0 4.4125 -5.9250 0.0000 O 0 0 0 0 0 0 0 0 0 5.8417 -5.9250 0.0000 C 0 0 0 0 0 0 0 0 0 5.1250 -6.3375 0.0000 C 0 0 0 0 0 0 0 0 0 -2.0208 -8.8125 0.0000 O 0 0 0 0 0 0 0 0 0 6.5500 -7.1625 0.0000 C 0 0 0 0 0 0 0 0 0 7.2625 -5.9167 0.0000 C 0 0 0 0 0 0 0 0 0 -2.7333 -9.2250 0.0000 C 0 0 0 0 0 0 0 0 0 7.9792 -6.3375 0.0000 C 0 0 0 0 0 0 0 0 0 7.2625 -7.5667 0.0000 C 0 0 0 0 0 0 0 0 0 7.9792 -7.1625 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 1 1 0 0 0 5 1 1 0 0 0 6 2 1 0 0 0 7 13 1 0 0 0 8 2 2 0 0 0 9 2 2 0 0 0 10 29 1 0 0 0 11 3 2 0 0 0 12 3 1 0 0 0 13 5 1 0 0 0 14 4 1 0 0 0 15 6 1 0 0 0 16 6 2 0 0 0 17 7 1 0 0 0 18 17 1 0 0 0 19 21 2 0 0 0 20 26 2 0 0 0 21 16 1 0 0 0 22 15 2 0 0 0 23 12 1 0 0 0 24 18 1 0 0 0 25 18 2 0 0 0 26 25 1 0 0 0 27 24 2 0 0 0 28 20 1 0 0 0 29 30 1 0 0 0 30 28 1 0 0 0 31 19 1 0 0 0 32 10 1 0 0 0 33 10 1 0 0 0 34 31 1 0 0 0 35 33 1 0 0 0 36 32 1 0 0 0 37 35 1 0 0 0 14 7 1 0 0 0 22 19 1 0 0 0 27 20 1 0 0 0 36 37 1 0 0 0 M END > 8.52287874528034 > 6.40560744962457 $$$$ 11280715192D 1 1.00000 0.00000 0 29 31 0 0 0 999 V2000 8.1167 -4.0667 0.0000 S 0 0 3 0 0 0 0 0 0 6.8167 -3.3167 0.0000 C 0 0 3 0 0 0 0 0 0 3.3625 -1.8000 0.0000 N 0 0 0 0 0 0 0 0 0 4.6625 -2.5542 0.0000 C 0 0 0 0 0 0 0 0 0 7.2500 -4.0667 0.0000 N 0 0 0 0 0 0 0 0 0 5.5250 -2.5542 0.0000 N 0 0 0 0 0 0 0 0 0 4.2292 -1.8042 0.0000 N 0 0 0 0 0 0 0 0 0 5.9542 -3.3125 0.0000 C 0 0 0 0 0 0 0 0 0 2.9292 -2.5417 0.0000 C 0 0 0 0 0 0 0 0 0 4.2167 -3.3042 0.0000 S 0 0 0 0 0 0 0 0 0 8.1125 -3.2042 0.0000 O 0 0 0 0 0 0 0 0 0 8.9750 -4.0667 0.0000 O 0 0 0 0 0 0 0 0 0 8.1292 -4.8917 0.0000 C 0 0 0 0 0 0 0 0 0 2.0625 -2.5417 0.0000 C 0 0 0 0 0 0 0 0 0 3.3542 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 5.5167 -4.0542 0.0000 O 0 0 0 0 0 0 0 0 0 1.6292 -3.2875 0.0000 C 0 0 0 0 0 0 0 0 0 1.6292 -1.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0.3292 -2.5375 0.0000 C 0 0 0 0 0 0 0 0 0 6.8167 -2.4500 0.0000 C 0 0 0 0 0 0 0 0 0 7.5292 -2.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0.7667 -1.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0.7667 -3.2917 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5333 -2.5292 0.0000 Cl 0 0 0 0 0 0 0 0 0 8.8417 -5.2917 0.0000 C 0 0 0 0 0 0 0 0 0 7.4167 -5.3167 0.0000 C 0 0 0 0 0 0 0 0 0 7.4250 -6.1375 0.0000 C 0 0 0 0 0 0 0 0 0 8.8542 -6.1167 0.0000 C 0 0 0 0 0 0 0 0 0 8.1417 -6.5417 0.0000 C 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 3 7 1 0 0 0 4 6 1 0 0 0 5 1 1 0 0 0 6 8 1 0 0 0 7 4 2 0 0 0 8 2 1 0 0 0 9 15 1 0 0 0 10 4 1 0 0 0 11 1 2 0 0 0 12 1 2 0 0 0 13 1 1 0 0 0 14 9 1 0 0 0 15 10 1 0 0 0 16 8 2 0 0 0 17 14 1 0 0 0 18 14 2 0 0 0 19 22 2 0 0 0 2 20 1 0 0 0 2 21 1 0 0 0 22 18 1 0 0 0 23 17 2 0 0 0 24 19 1 0 0 0 25 13 1 0 0 0 26 13 2 0 0 0 27 26 1 0 0 0 28 25 2 0 0 0 29 27 2 0 0 0 28 29 1 0 0 0 3 9 2 0 0 0 19 23 1 0 0 0 M END > 6.74472749489669 > 6.52287874528034 $$$$ 11280715172D 1 1.00000 0.00000 0 23 23 0 0 0 999 V2000 3.4167 -1.4292 0.0000 S 0 0 3 0 0 0 0 0 0 2.8167 -1.4250 0.0000 N 0 0 3 0 0 0 0 0 0 2.5042 -1.9417 0.0000 C 0 0 3 0 0 0 0 0 0 2.8125 -2.4625 0.0000 C 0 0 0 0 0 0 0 0 0 3.4125 -0.8292 0.0000 C 0 0 0 0 0 0 0 0 0 3.4167 -2.0292 0.0000 O 0 0 0 0 0 0 0 0 0 4.0167 -1.4375 0.0000 O 0 0 0 0 0 0 0 0 0 2.3917 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 3.3875 -2.6125 0.0000 O 0 0 0 0 0 0 0 0 0 2.6500 -3.0375 0.0000 N 0 0 0 0 0 0 0 0 0 3.9375 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 2.9000 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 3.4125 0.3750 0.0000 C 0 0 0 0 0 0 0 0 0 1.9292 -2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 3.9375 0.0750 0.0000 C 0 0 0 0 0 0 0 0 0 2.9000 0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 2.6500 -3.6375 0.0000 O 0 0 0 0 0 0 0 0 0 3.4125 0.9750 0.0000 O 0 0 0 0 0 0 0 0 0 1.7917 -1.0000 0.0000 C 0 0 3 0 0 0 0 0 0 3.9250 1.2750 0.0000 C 0 0 0 0 0 0 0 0 0 1.6250 -2.6125 0.0000 C 0 0 0 0 0 0 0 0 0 1.3667 -0.5750 0.0000 C 0 0 0 0 0 0 0 0 0 1.3667 -1.4167 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 1 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 2 1 0 0 0 9 4 2 0 0 0 10 4 1 0 0 0 11 5 2 0 0 0 12 5 1 0 0 0 13 16 1 0 0 0 14 3 1 0 0 0 15 11 1 0 0 0 16 12 2 0 0 0 17 10 1 0 0 0 18 13 1 0 0 0 19 8 1 0 0 0 20 18 1 0 0 0 21 14 1 0 0 0 22 19 1 0 0 0 23 19 1 0 0 0 13 15 2 0 0 0 M END > 7.01772876696043 > 6.41566877563247 $$$$ 11290715552D 1 1.00000 0.00000 0 25 26 0 1 0 999 V2000 9.1221 -17.4232 0.0000 N 0 0 0 0 0 0 0 0 0 9.8331 -17.0047 0.0000 C 0 0 1 0 0 0 0 0 0 9.8261 -16.1797 0.0000 C 0 0 3 0 0 0 0 0 0 10.5371 -15.7613 0.0000 C 0 0 0 0 0 0 0 0 0 9.1082 -15.7732 0.0000 C 0 0 0 0 0 0 0 0 0 8.4042 -17.0167 0.0000 S 0 0 3 0 0 0 0 0 0 7.6875 -16.6042 0.0000 C 0 0 0 0 0 0 0 0 0 7.9951 -17.7331 0.0000 O 0 0 0 0 0 0 0 0 0 8.8149 -16.3012 0.0000 O 0 0 0 0 0 0 0 0 0 7.6892 -15.7720 0.0000 C 0 0 0 0 0 0 0 0 0 6.9734 -15.3596 0.0000 C 0 0 0 0 0 0 0 0 0 6.2568 -15.7740 0.0000 C 0 0 0 0 0 0 0 0 0 6.2606 -16.6052 0.0000 C 0 0 0 0 0 0 0 0 0 6.9770 -17.0139 0.0000 C 0 0 0 0 0 0 0 0 0 5.5412 -15.3634 0.0000 C 0 0 0 0 0 0 0 0 0 5.5414 -14.5383 0.0000 C 0 0 0 0 0 0 0 0 0 4.8267 -14.1278 0.0000 C 0 0 0 0 0 0 0 0 0 4.1123 -14.5422 0.0000 C 0 0 0 0 0 0 0 0 0 4.1172 -15.3715 0.0000 C 0 0 0 0 0 0 0 0 0 4.8325 -15.7783 0.0000 C 0 0 0 0 0 0 0 0 0 10.5510 -17.4112 0.0000 P 0 0 3 0 0 0 0 0 0 11.1333 -17.9917 0.0000 O 0 0 0 0 0 0 0 0 0 11.0499 -16.7542 0.0000 O 0 0 0 0 0 0 0 0 0 10.0550 -18.0705 0.0000 O 0 0 0 0 0 0 0 0 0 3.3962 -14.1326 0.0000 C 0 0 0 0 0 0 0 0 0 12 13 1 0 0 0 6 7 1 0 0 0 13 14 2 0 0 0 14 7 1 0 0 0 3 4 1 0 0 0 12 15 1 0 0 0 6 8 2 0 0 0 15 16 2 0 0 0 16 17 1 0 0 0 6 9 2 0 0 0 17 18 2 0 0 0 3 5 1 0 0 0 18 19 1 0 0 0 7 10 2 0 0 0 19 20 2 0 0 0 20 15 1 0 0 0 2 3 1 1 0 0 2 21 1 0 0 0 10 11 1 0 0 0 21 22 2 0 0 0 1 6 1 0 0 0 21 23 1 0 0 0 11 12 2 0 0 0 21 24 1 0 0 0 1 2 1 0 0 0 18 25 1 0 0 0 M END > 8.48148606012211 > 7.0087739243075 $$$$ 11280715072D 1 1.00000 0.00000 0 30 32 0 0 0 999 V2000 -0.0750 -1.9500 0.0000 C 0 0 3 0 0 0 0 0 0 -0.7875 -2.3667 0.0000 S 0 0 3 0 0 0 0 0 0 0.6417 -2.3500 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7833 -1.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0.6375 -1.5417 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5083 -1.9542 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0750 -0.3000 0.0000 N 0 0 3 0 0 0 0 0 0 -0.2083 -2.9500 0.0000 O 0 0 0 0 0 0 0 0 0 -1.3750 -2.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0.6542 -3.1750 0.0000 O 0 0 0 0 0 0 0 0 0 1.3542 -1.9292 0.0000 N 0 0 0 0 0 0 0 0 0 -0.7833 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0.6375 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0750 0.5250 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5083 -1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 -2.2208 -2.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0.6417 0.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0.6417 1.7583 0.0000 C 0 0 0 0 0 0 0 0 0 -2.9333 -1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 -2.2208 -0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 -2.9333 -1.9542 0.0000 C 0 0 0 0 0 0 0 0 0 1.3542 2.1708 0.0000 C 0 0 0 0 0 0 0 0 0 2.0667 -2.3292 0.0000 O 0 0 0 0 0 0 0 0 0 -3.6500 -0.7125 0.0000 O 0 0 0 0 0 0 0 0 0 1.3542 2.9958 0.0000 O 0 0 0 0 0 0 0 0 0 2.0667 0.9333 0.0000 C 0 0 0 0 0 0 0 0 0 1.3542 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 2.0667 1.7583 0.0000 C 0 0 0 0 0 0 0 0 0 -4.3625 -1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0.6375 3.4083 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 1 1 0 0 0 5 1 1 0 0 0 6 2 1 0 0 0 7 13 1 0 0 0 8 2 2 0 0 0 9 2 2 0 0 0 10 3 2 0 0 0 11 3 1 0 0 0 12 4 1 0 0 0 13 5 1 0 0 0 14 7 1 0 0 0 15 6 1 0 0 0 16 6 2 0 0 0 17 14 1 0 0 0 18 17 1 0 0 0 19 21 2 0 0 0 20 15 2 0 0 0 21 16 1 0 0 0 22 18 2 0 0 0 23 11 1 0 0 0 24 19 1 0 0 0 25 22 1 0 0 0 26 27 1 0 0 0 27 17 2 0 0 0 28 26 2 0 0 0 29 24 1 0 0 0 30 25 1 0 0 0 12 7 1 0 0 0 20 19 1 0 0 0 22 28 1 0 0 0 M END > 8.69897000433602 > 6.28483264215154 $$$$ 11280715432D 1 1.00000 0.00000 0 25 26 0 0 0 999 V2000 -1.0000 0.6833 0.0000 S 0 0 3 0 0 0 0 0 0 -1.0000 -0.1417 0.0000 N 0 0 3 0 0 0 0 0 0 -1.7208 -0.5542 0.0000 C 0 0 3 0 0 0 0 0 0 -2.4000 -0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1833 0.6833 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0000 1.5083 0.0000 O 0 0 0 0 0 0 0 0 0 -1.8250 0.6833 0.0000 O 0 0 0 0 0 0 0 0 0 3.5417 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 4.3667 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 -2.3458 0.7458 0.0000 O 0 0 0 0 0 0 0 0 0 -1.2708 -1.9792 0.0000 N 0 0 0 0 0 0 0 0 0 -3.1458 -0.4417 0.0000 N 0 0 0 0 0 0 0 0 0 0.2375 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0.2375 1.3958 0.0000 C 0 0 0 0 0 0 0 0 0 -1.8458 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2333 -0.4542 0.0000 C 0 0 0 0 0 0 0 0 0 1.4750 0.6833 0.0000 C 0 0 0 0 0 0 0 0 0 1.0542 1.3958 0.0000 C 0 0 0 0 0 0 0 0 0 1.0542 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 -3.8250 0.0208 0.0000 O 0 0 0 0 0 0 0 0 0 2.7125 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0.0125 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 2.3000 0.6833 0.0000 O 0 0 0 0 0 0 0 0 0 -0.4583 -1.9167 0.0000 C 0 0 0 0 0 0 0 0 0 5.1917 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 1 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 21 1 0 0 0 9 8 3 0 0 0 10 4 2 0 0 0 11 15 1 0 0 0 12 4 1 0 0 0 13 5 2 0 0 0 14 5 1 0 0 0 15 3 1 0 0 0 16 2 1 0 0 0 17 18 1 0 0 0 18 14 2 0 0 0 19 13 1 0 0 0 20 12 1 0 0 0 21 23 1 0 0 0 22 16 1 0 0 0 23 17 1 0 0 0 24 22 1 0 0 0 25 9 1 0 0 0 17 19 2 0 0 0 24 11 1 0 0 0 M END > 6.64781748188864 > 6.23957751657679 $$$$ 11280714592D 1 1.00000 0.00000 0 29 30 0 0 0 999 V2000 6.2167 -7.3250 0.0000 C 0 0 0 0 0 0 0 0 0 6.7375 -7.0250 0.0000 N 0 3 0 0 0 0 0 0 0 5.7000 -8.8250 0.0000 N 0 3 0 0 0 0 0 0 0 7.2542 -4.3167 0.0000 N 0 3 0 0 0 0 0 0 0 5.7000 -7.0250 0.0000 C 0 0 0 0 0 0 0 0 0 6.2167 -7.9250 0.0000 C 0 0 0 0 0 0 0 0 0 5.7000 -8.2250 0.0000 C 0 0 0 0 0 0 0 0 0 5.1792 -6.1250 0.0000 N 0 0 3 0 0 0 0 0 0 5.7000 -6.4250 0.0000 S 0 0 0 0 0 0 0 0 0 4.1375 -6.1250 0.0000 C 0 0 0 0 0 0 0 0 0 4.6625 -6.4250 0.0000 C 0 0 0 0 0 0 0 0 0 6.7375 -4.6250 0.0000 C 0 0 0 0 0 0 0 0 0 7.2542 -7.3167 0.0000 O 0 5 0 0 0 0 0 0 0 5.1792 -9.1250 0.0000 O 0 5 0 0 0 0 0 0 0 7.7750 -4.6250 0.0000 O 0 5 0 0 0 0 0 0 0 6.7292 -6.4167 0.0000 O 0 0 0 0 0 0 0 0 0 6.2250 -9.1250 0.0000 O 0 0 0 0 0 0 0 0 0 7.2542 -3.7250 0.0000 O 0 0 0 0 0 0 0 0 0 5.1750 -7.3250 0.0000 C 0 0 0 0 0 0 0 0 0 3.6250 -6.4250 0.0000 O 0 0 0 0 0 0 0 0 0 5.1750 -7.9250 0.0000 C 0 0 0 0 0 0 0 0 0 4.1375 -5.5250 0.0000 N 0 0 0 0 0 0 0 0 0 5.1792 -5.5250 0.0000 C 0 0 0 0 0 0 0 0 0 6.7375 -5.2250 0.0000 C 0 0 0 0 0 0 0 0 0 6.2125 -4.3167 0.0000 C 0 0 0 0 0 0 0 0 0 5.7000 -5.2250 0.0000 C 0 0 0 0 0 0 0 0 0 6.2167 -5.5250 0.0000 C 0 0 0 0 0 0 0 0 0 5.7000 -4.6250 0.0000 C 0 0 0 0 0 0 0 0 0 3.6250 -5.2250 0.0000 O 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 7 1 0 0 0 4 12 1 0 0 0 5 1 1 0 0 0 6 1 2 0 0 0 7 6 1 0 0 0 8 9 1 0 0 0 9 5 1 0 0 0 10 11 1 0 0 0 11 8 1 0 0 0 12 25 1 0 0 0 13 2 1 0 0 0 14 3 1 0 0 0 15 4 1 0 0 0 16 2 2 0 0 0 17 3 2 0 0 0 18 4 2 0 0 0 19 5 2 0 0 0 20 10 2 0 0 0 21 7 2 0 0 0 22 10 1 0 0 0 23 8 1 0 0 0 24 27 1 0 0 0 25 28 2 0 0 0 26 23 1 0 0 0 27 26 2 0 0 0 28 26 1 0 0 0 29 22 1 0 0 0 19 21 1 0 0 0 24 12 2 0 0 0 M CHG 6 2 1 3 1 4 1 13 -1 14 -1 15 -1 M END > 7.92081875395237 > 7.92081875395237 $$$$ 11290715552D 1 1.00000 0.00000 0 25 26 0 1 0 999 V2000 0.2012 -24.9107 0.0000 N 0 0 0 0 0 0 0 0 0 0.9122 -24.4922 0.0000 C 0 0 1 0 0 0 0 0 0 0.9053 -23.6672 0.0000 C 0 0 3 0 0 0 0 0 0 1.6163 -23.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0.1874 -23.2607 0.0000 C 0 0 0 0 0 0 0 0 0 1.6301 -24.8987 0.0000 P 0 0 3 0 0 0 0 0 0 2.2125 -25.4792 0.0000 O 0 0 0 0 0 0 0 0 0 2.1291 -24.2417 0.0000 O 0 0 0 0 0 0 0 0 0 1.1341 -25.5580 0.0000 O 0 0 0 0 0 0 0 0 0 -0.5167 -24.5042 0.0000 S 0 0 3 0 0 0 0 0 0 -1.2333 -24.0917 0.0000 C 0 0 0 0 0 0 0 0 0 -0.9257 -25.2206 0.0000 O 0 0 0 0 0 0 0 0 0 -0.1060 -23.7887 0.0000 O 0 0 0 0 0 0 0 0 0 -1.2317 -23.2595 0.0000 C 0 0 0 0 0 0 0 0 0 -1.9475 -22.8471 0.0000 C 0 0 0 0 0 0 0 0 0 -2.6640 -23.2615 0.0000 C 0 0 0 0 0 0 0 0 0 -2.6603 -24.0927 0.0000 C 0 0 0 0 0 0 0 0 0 -1.9439 -24.5014 0.0000 C 0 0 0 0 0 0 0 0 0 -3.3796 -22.8509 0.0000 C 0 0 0 0 0 0 0 0 0 -3.3795 -22.0217 0.0000 C 0 0 0 0 0 0 0 0 0 -4.0942 -21.6111 0.0000 C 0 0 0 0 0 0 0 0 0 -4.8085 -22.0256 0.0000 C 0 0 0 0 0 0 0 0 0 -4.8037 -22.8548 0.0000 C 0 0 0 0 0 0 0 0 0 -4.0884 -23.2616 0.0000 C 0 0 0 0 0 0 0 0 0 -4.0960 -20.7861 0.0000 Cl 0 0 0 0 0 0 0 0 0 10 13 2 0 0 0 6 7 2 0 0 0 11 14 2 0 0 0 3 4 1 0 0 0 14 15 1 0 0 0 6 8 1 0 0 0 15 16 2 0 0 0 16 17 1 0 0 0 6 9 1 0 0 0 17 18 2 0 0 0 18 11 1 0 0 0 3 5 1 0 0 0 16 19 1 0 0 0 1 10 1 0 0 0 19 20 2 0 0 0 2 3 1 1 0 0 20 21 1 0 0 0 10 11 1 0 0 0 21 22 2 0 0 0 2 6 1 0 0 0 22 23 1 0 0 0 10 12 2 0 0 0 23 24 2 0 0 0 24 19 1 0 0 0 1 2 1 0 0 0 21 25 1 0 0 0 M END > 7.61978875828839 > 6.49485002168009 $$$$ SciTegic04021211102D 27 29 0 0 0 0 999 V2000 4.2953 0.8127 0.0000 O 0 0 5.0954 0.5928 0.0000 S 0 0 4.8842 1.3943 0.0000 O 0 0 4.3865 -0.6468 0.0000 C 0 0 2 0 0 0 4.3865 -1.4719 0.0000 C 0 0 5.0991 -1.8823 0.0000 N 0 0 5.8118 -1.4719 0.0000 C 0 0 5.8118 -0.6468 0.0000 C 0 0 5.0991 -0.2321 0.0000 N 0 0 3.6720 -1.8875 0.0000 O 0 0 6.5262 -1.8875 0.0000 O 0 0 5.0991 -2.7073 0.0000 O 0 0 3.6702 -0.2384 0.0000 C 0 0 3.6678 0.5867 0.0000 C 0 0 2.9564 -0.6510 0.0000 C 0 0 5.8087 1.0107 0.0000 C 0 0 6.5242 0.5966 0.0000 C 0 0 7.2370 1.0138 0.0000 C 0 0 7.2338 1.8397 0.0000 C 0 0 6.5119 2.2468 0.0000 C 0 0 5.8021 1.8315 0.0000 C 0 0 7.9470 2.2492 0.0000 C 0 0 8.6606 1.8412 0.0000 C 0 0 9.3728 2.2551 0.0000 C 0 0 9.3684 3.0810 0.0000 C 0 0 8.6460 3.4913 0.0000 C 0 0 7.9368 3.0709 0.0000 C 0 0 13 14 1 0 5 6 1 0 13 15 1 0 9 2 1 0 6 7 1 0 2 16 1 0 7 8 1 0 16 17 2 0 8 9 1 0 17 18 1 0 3 2 2 0 18 19 2 0 5 10 2 0 19 20 1 0 4 5 1 0 20 21 2 0 21 16 1 0 7 11 2 0 22 23 2 0 6 12 1 0 23 24 1 0 2 1 2 0 24 25 2 0 4 13 1 1 25 26 1 0 4 9 1 0 26 27 2 0 27 22 1 0 19 22 1 0 M END > 7.2839966563652 > 5.88605664769316 $$$$ 11280715442D 1 1.00000 0.00000 0 36 38 0 0 0 999 V2000 -0.2958 0.5500 0.0000 S 0 0 3 0 0 0 0 0 0 -0.3208 -0.1667 0.0000 N 0 0 3 0 0 0 0 0 0 -0.9208 -0.5750 0.0000 C 0 0 3 0 0 0 0 0 0 -0.4458 -1.7875 0.0000 N 0 0 3 0 0 0 0 0 0 0.2667 -1.6792 0.0000 C 0 0 0 0 0 0 0 0 0 -0.9708 -1.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0.3667 -0.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0.6292 -1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5333 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6625 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0.6167 -2.3042 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2708 1.2750 0.0000 C 0 0 0 0 0 0 0 0 0 1.7042 -2.9292 0.0000 C 0 0 0 0 0 0 0 0 0 1.3417 -2.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0.4250 0.5458 0.0000 O 0 0 0 0 0 0 0 0 0 -1.0208 0.5833 0.0000 O 0 0 0 0 0 0 0 0 0 0.4542 4.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0.4792 5.2167 0.0000 C 0 0 0 0 0 0 0 0 0 1.3500 -1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5250 0.5208 0.0000 O 0 0 0 0 0 0 0 0 0 -0.1750 -3.0042 0.0000 O 0 0 0 0 0 0 0 0 0 2.4250 -2.9292 0.0000 O 0 0 0 0 0 0 0 0 0 -2.1625 -0.5625 0.0000 N 0 0 0 0 0 0 0 0 0 1.7042 -1.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0.3667 1.6208 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8833 1.6583 0.0000 C 0 0 0 0 0 0 0 0 0 1.3417 -3.5542 0.0000 N 0 0 0 0 0 0 0 0 0 -0.2208 2.7208 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8625 2.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0.3917 2.3375 0.0000 C 0 0 0 0 0 0 0 0 0 -2.7833 -0.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0.4375 3.7833 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2000 3.4458 0.0000 O 0 0 0 0 0 0 0 0 0 -1.3625 -2.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0.5000 5.9417 0.0000 C 0 0 0 0 0 0 0 0 0 1.7000 -4.1792 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 6 1 0 0 0 5 8 2 0 0 0 6 3 1 0 0 0 7 2 1 0 0 0 8 7 1 0 0 0 9 3 1 0 0 0 10 4 1 0 0 0 11 5 1 0 0 0 12 1 1 0 0 0 13 14 1 0 0 0 14 24 1 0 0 0 15 1 2 0 0 0 16 1 2 0 0 0 17 32 1 0 0 0 18 17 3 0 0 0 19 8 1 0 0 0 20 9 2 0 0 0 21 10 2 0 0 0 22 13 2 0 0 0 23 9 1 0 0 0 24 19 2 0 0 0 25 12 2 0 0 0 26 12 1 0 0 0 27 13 1 0 0 0 28 29 1 0 0 0 29 26 2 0 0 0 30 25 1 0 0 0 31 23 1 0 0 0 32 33 1 0 0 0 33 28 1 0 0 0 34 10 1 0 0 0 35 18 1 0 0 0 36 27 1 0 0 0 30 28 2 0 0 0 4 5 1 0 0 0 11 14 2 0 0 0 M END > 7.3767507096021 > 6.08990945440593 $$$$ 11280715522D 1 1.00000 0.00000 0 27 28 0 1 0 999 V2000 12.9611 -14.0833 0.0000 C 0 0 0 0 0 0 0 0 0 12.9599 -14.9107 0.0000 C 0 0 0 0 0 0 0 0 0 13.6747 -15.3235 0.0000 C 0 0 0 0 0 0 0 0 0 14.3912 -14.9102 0.0000 C 0 0 0 0 0 0 0 0 0 14.3883 -14.0797 0.0000 C 0 0 0 0 0 0 0 0 0 13.6729 -13.6705 0.0000 C 0 0 0 0 0 0 0 0 0 13.6745 -16.1485 0.0000 C 0 0 2 0 0 0 0 0 0 12.9600 -16.5609 0.0000 C 0 0 1 0 0 0 0 0 0 14.3889 -16.5612 0.0000 C 0 0 0 0 0 0 0 0 0 12.2456 -16.1482 0.0000 C 0 0 0 0 0 0 0 0 0 12.9597 -17.3859 0.0000 C 0 0 0 0 0 0 0 0 0 12.2458 -15.3232 0.0000 O 0 0 0 0 0 0 0 0 0 11.5310 -16.5605 0.0000 N 0 0 0 0 0 0 0 0 0 10.8166 -16.1478 0.0000 O 0 0 0 0 0 0 0 0 0 14.3887 -17.3862 0.0000 O 0 0 0 0 0 0 0 0 0 15.1035 -16.1489 0.0000 N 0 0 3 0 0 0 0 0 0 15.8129 -16.5654 0.0000 C 0 0 1 0 0 0 0 0 0 16.5253 -16.1565 0.0000 C 0 0 0 0 0 0 0 0 0 16.5298 -15.3312 0.0000 C 0 0 0 0 0 0 0 0 0 15.8156 -14.9163 0.0000 C 0 0 0 0 0 0 0 0 0 15.0969 -15.3268 0.0000 C 0 0 0 0 0 0 0 0 0 15.8088 -17.3903 0.0000 C 0 0 0 0 0 0 0 0 0 15.0923 -17.7993 0.0000 O 0 0 0 0 0 0 0 0 0 16.5212 -17.8064 0.0000 N 0 0 0 0 0 0 0 0 0 16.5171 -18.6314 0.0000 C 0 0 0 0 0 0 0 0 0 12.2452 -17.7982 0.0000 C 0 0 0 0 0 0 0 0 0 13.6705 -12.8455 0.0000 Cl 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 13 14 1 0 0 0 7 3 1 1 0 0 9 15 2 0 0 0 3 4 2 0 0 0 9 16 1 0 0 0 16 17 1 0 0 0 7 8 1 0 0 0 7 9 1 0 0 0 4 5 1 0 0 0 8 10 1 0 0 0 16 21 1 0 0 0 17 18 1 0 0 0 18 19 1 0 0 0 19 20 1 0 0 0 20 21 1 0 0 0 2 3 1 0 0 0 17 22 1 1 0 0 8 11 1 6 0 0 22 23 2 0 0 0 5 6 2 0 0 0 22 24 1 0 0 0 10 12 2 0 0 0 24 25 1 0 0 0 6 1 1 0 0 0 11 26 1 0 0 0 10 13 1 0 0 0 6 27 1 0 0 0 M END > 8.69897000433602 > 9.15490195998574 $$$$ 11280715212D 1 1.00000 0.00000 0 27 29 0 0 0 999 V2000 -1.4708 1.4375 0.0000 S 0 0 3 0 0 0 0 0 0 -2.9083 1.4500 0.0000 C 0 0 3 0 0 0 0 0 0 -2.1958 1.8625 0.0000 N 0 0 0 0 0 0 0 0 0 -3.6208 1.8625 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7500 1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0458 2.1583 0.0000 O 0 0 0 0 0 0 0 0 0 -1.8958 0.7208 0.0000 O 0 0 0 0 0 0 0 0 0 -3.6208 2.6958 0.0000 O 0 0 0 0 0 0 0 0 0 0.6792 0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 1.3917 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 -4.3333 1.4500 0.0000 N 0 0 0 0 0 0 0 0 0 -3.6250 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 -2.1875 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7500 0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0375 1.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0.6792 1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0375 -0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 -2.9083 -0.2125 0.0000 O 0 0 0 0 0 0 0 0 0 1.3917 -1.0542 0.0000 C 0 0 0 0 0 0 0 0 0 2.1042 0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 2.8167 -1.0500 0.0000 C 0 0 0 0 0 0 0 0 0 2.8167 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 2.1042 -1.4625 0.0000 C 0 0 0 0 0 0 0 0 0 3.5292 -1.4625 0.0000 F 0 0 0 0 0 0 0 0 0 -4.3333 0.6208 0.0000 O 0 0 0 0 0 0 0 0 0 -3.6250 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 -2.1958 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 3 1 1 0 0 0 4 2 1 0 0 0 5 1 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 4 2 0 0 0 9 16 1 0 0 0 10 9 1 0 0 0 11 4 1 0 0 0 12 2 1 0 0 0 13 2 1 0 0 0 14 5 2 0 0 0 15 5 1 0 0 0 16 15 2 0 0 0 17 14 1 0 0 0 18 27 1 0 0 0 19 10 2 0 0 0 20 10 1 0 0 0 21 22 1 0 0 0 22 20 2 0 0 0 23 19 1 0 0 0 24 21 1 0 0 0 25 11 1 0 0 0 26 12 1 0 0 0 27 13 1 0 0 0 9 17 2 0 0 0 18 26 1 0 0 0 21 23 2 0 0 0 M END > 8.35654732351381 > 6.69897000433602 $$$$ 11280715332D 1 1.00000 0.00000 0 30 32 0 1 0 999 V2000 5.7917 -2.5417 0.0000 S 0 0 3 0 0 0 0 0 0 6.0792 -3.3167 0.0000 N 0 0 3 0 0 0 0 0 0 5.5542 -3.9542 0.0000 C 0 0 1 0 0 0 0 0 0 6.7875 -4.4542 0.0000 C 0 0 0 0 0 0 0 0 0 4.7292 -3.9042 0.0000 C 0 0 0 0 0 0 0 0 0 6.8417 -3.6292 0.0000 C 0 0 0 0 0 0 0 0 0 5.9917 -4.6417 0.0000 C 0 0 0 0 0 0 0 0 0 7.4125 -4.9917 0.0000 N 0 0 0 0 0 0 0 0 0 6.5750 -2.2542 0.0000 C 0 0 0 0 0 0 0 0 0 8.1875 -4.7167 0.0000 N 0 0 3 0 0 0 0 0 0 5.5042 -1.7625 0.0000 O 0 0 0 0 0 0 0 0 0 5.0167 -2.8292 0.0000 O 0 0 0 0 0 0 0 0 0 4.3542 -3.1750 0.0000 O 0 0 0 0 0 0 0 0 0 9.7417 -4.1750 0.0000 N 0 0 0 0 0 0 0 0 0 4.2750 -4.6042 0.0000 N 0 0 0 0 0 0 0 0 0 7.2042 -2.7792 0.0000 C 0 0 0 0 0 0 0 0 0 6.7167 -1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 8.8125 -5.2542 0.0000 C 0 0 0 0 0 0 0 0 0 8.3417 -3.9042 0.0000 C 0 0 0 0 0 0 0 0 0 8.1167 -1.6875 0.0000 C 0 0 0 0 0 0 0 0 0 7.4875 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 7.9750 -2.4917 0.0000 C 0 0 0 0 0 0 0 0 0 3.4500 -4.5542 0.0000 O 0 0 0 0 0 0 0 0 0 9.5875 -4.9875 0.0000 C 0 0 0 0 0 0 0 0 0 9.1167 -3.6375 0.0000 C 0 0 0 0 0 0 0 0 0 8.9042 -1.4042 0.0000 O 0 0 0 0 0 0 0 0 0 9.5375 -1.9375 0.0000 C 0 0 0 0 0 0 0 0 0 10.3125 -1.6542 0.0000 C 0 0 0 0 0 0 0 0 0 10.9417 -2.1917 0.0000 C 0 0 0 0 0 0 0 0 0 11.7125 -1.9167 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 6 1 0 0 0 5 3 1 0 0 0 6 2 1 0 0 0 3 7 1 6 0 0 8 4 2 0 0 0 9 1 1 0 0 0 10 8 1 0 0 0 11 1 2 0 0 0 12 1 2 0 0 0 13 5 2 0 0 0 14 25 1 0 0 0 15 5 1 0 0 0 16 9 2 0 0 0 17 9 1 0 0 0 18 10 1 0 0 0 19 10 1 0 0 0 20 21 1 0 0 0 21 17 2 0 0 0 22 16 1 0 0 0 23 15 1 0 0 0 24 18 1 0 0 0 25 19 1 0 0 0 26 20 1 0 0 0 27 26 1 0 0 0 28 27 1 0 0 0 29 28 1 0 0 0 30 29 1 0 0 0 20 22 2 0 0 0 4 7 1 0 0 0 14 24 1 0 0 0 M END > 9 > 6.73518217699046 $$$$ CDK 9/16/09,9:54 21 21 0 0 0 0 0 0 0 0999 V2000 5.6833 -9.1167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3978 -8.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1123 -9.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3978 -7.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8267 -8.7042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5412 -9.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2557 -8.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9702 -9.1167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2557 -7.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9689 -8.7042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8267 -7.8792 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.8208 -7.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6517 -7.8762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0018 -7.8863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5383 -6.6322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5327 -5.8038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8112 -5.3935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0937 -5.8176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1028 -6.6446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8042 -4.5685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5151 -4.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5 11 1 0 0 0 0 5 6 1 0 0 0 0 11 12 1 0 0 0 0 1 2 1 0 0 0 0 11 13 2 0 0 0 0 6 7 1 0 0 0 0 11 14 2 0 0 0 0 2 4 2 0 0 0 0 12 15 2 0 0 0 0 7 8 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 7 9 2 0 0 0 0 17 18 1 0 0 0 0 3 5 1 0 0 0 0 18 19 2 0 0 0 0 19 12 1 0 0 0 0 1 10 1 0 0 0 0 17 20 1 0 0 0 0 2 3 1 0 0 0 0 20 21 1 0 0 0 0 M END > 6.67162039656126 > 5.16941133131486 $$$$ 11280715312D 1 1.00000 0.00000 0 28 30 0 1 0 999 V2000 3.2167 -1.6167 0.0000 N 0 0 3 0 0 0 0 0 0 3.2167 -1.0167 0.0000 S 0 0 3 0 0 0 0 0 0 2.7375 -1.9667 0.0000 C 0 0 2 0 0 0 0 0 0 3.7042 -1.9667 0.0000 C 0 0 0 0 0 0 0 0 0 2.9167 -2.5417 0.0000 C 0 0 0 0 0 0 0 0 0 2.1667 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 3.5167 -2.5417 0.0000 C 0 0 2 0 0 0 0 0 0 3.8750 -3.0250 0.0000 N 0 0 3 0 0 0 0 0 0 3.7417 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 3.2125 -0.4167 0.0000 O 0 0 0 0 0 0 0 0 0 2.6375 -0.8542 0.0000 O 0 0 0 0 0 0 0 0 0 2.0417 -1.1917 0.0000 O 0 0 0 0 0 0 0 0 0 1.7167 -2.1792 0.0000 N 0 0 0 0 0 0 0 0 0 3.7417 -0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 4.2625 -1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 4.7792 -0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 4.7792 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 4.2542 0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 1.1500 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 3.6292 -3.5667 0.0000 C 0 0 0 0 0 0 0 0 0 4.4667 -2.9542 0.0000 C 0 0 0 0 0 0 0 0 0 5.3000 0.1833 0.0000 O 0 0 0 0 0 0 0 0 0 5.8167 -0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 6.3417 0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 3.9792 -4.0542 0.0000 C 0 0 0 0 0 0 0 0 0 4.8167 -3.4417 0.0000 C 0 0 0 0 0 0 0 0 0 6.8542 -0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 4.5750 -3.9917 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 1 1 0 0 0 3 5 1 6 0 0 6 3 1 0 0 0 7 4 1 0 0 0 7 8 1 1 0 0 9 2 1 0 0 0 10 2 2 0 0 0 11 2 2 0 0 0 12 6 2 0 0 0 13 6 1 0 0 0 14 9 1 0 0 0 15 9 2 0 0 0 16 17 2 0 0 0 17 15 1 0 0 0 18 14 2 0 0 0 19 13 1 0 0 0 20 8 1 0 0 0 21 8 1 0 0 0 22 16 1 0 0 0 23 22 1 0 0 0 24 23 1 0 0 0 25 20 1 0 0 0 26 21 1 0 0 0 27 24 1 0 0 0 28 26 1 0 0 0 7 5 1 0 0 0 16 18 1 0 0 0 28 25 1 0 0 0 M END > 9.39794000867204 > 6.67778070526608 $$$$ 11280715232D 1 1.00000 0.00000 0 31 31 0 0 0 999 V2000 5.4417 -2.8750 0.0000 S 0 0 3 0 0 0 0 0 0 6.1667 -3.2625 0.0000 C 0 0 3 0 0 0 0 0 0 6.1875 -4.0792 0.0000 C 0 0 3 0 0 0 0 0 0 6.9000 -4.4667 0.0000 C 0 0 3 0 0 0 0 0 0 4.7500 -2.4667 0.0000 N 0 0 3 0 0 0 0 0 0 6.9167 -5.2792 0.0000 C 0 0 3 0 0 0 0 0 0 4.0375 -2.8750 0.0000 C 0 0 3 0 0 0 0 0 0 3.3375 -2.4667 0.0000 C 0 0 0 0 0 0 0 0 0 4.7500 -1.6542 0.0000 C 0 0 0 0 0 0 0 0 0 5.4417 -1.2417 0.0000 C 0 0 0 0 0 0 0 0 0 6.1542 -2.1417 0.0000 O 0 0 0 0 0 0 0 0 0 4.7125 -3.5875 0.0000 O 0 0 0 0 0 0 0 0 0 6.8625 -2.8417 0.0000 F 0 0 0 0 0 0 0 0 0 5.6000 -3.8500 0.0000 F 0 0 0 0 0 0 0 0 0 5.4917 -4.4917 0.0000 F 0 0 0 0 0 0 0 0 0 6.7417 -3.4792 0.0000 F 0 0 0 0 0 0 0 0 0 7.5917 -4.0417 0.0000 F 0 0 0 0 0 0 0 0 0 6.3375 -5.0542 0.0000 F 0 0 0 0 0 0 0 0 0 2.6292 -2.8750 0.0000 O 0 0 0 0 0 0 0 0 0 5.4417 -0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 3.3375 -1.6542 0.0000 N 0 0 0 0 0 0 0 0 0 7.6292 -5.6667 0.0000 F 0 0 0 0 0 0 0 0 0 6.2167 -5.7042 0.0000 F 0 0 0 0 0 0 0 0 0 7.4792 -4.6875 0.0000 F 0 0 0 0 0 0 0 0 0 4.7417 -0.0250 0.0000 Cl 0 0 0 0 0 0 0 0 0 4.0375 -3.6875 0.0000 C 0 0 0 0 0 0 0 0 0 2.6292 -1.2417 0.0000 O 0 0 0 0 0 0 0 0 0 6.1542 -1.6542 0.0000 C 0 0 0 0 0 0 0 0 0 6.1542 -0.0250 0.0000 C 0 0 0 0 0 0 0 0 0 6.8625 -1.2417 0.0000 C 0 0 0 0 0 0 0 0 0 6.8625 -0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 1 1 0 0 0 6 4 1 0 0 0 7 5 1 0 0 0 8 7 1 0 0 0 9 5 1 0 0 0 10 9 1 0 0 0 11 1 2 0 0 0 12 1 2 0 0 0 13 2 1 0 0 0 14 2 1 0 0 0 15 3 1 0 0 0 16 3 1 0 0 0 17 4 1 0 0 0 18 4 1 0 0 0 19 8 2 0 0 0 20 10 1 0 0 0 21 8 1 0 0 0 22 6 1 0 0 0 23 6 1 0 0 0 24 6 1 0 0 0 25 20 1 0 0 0 26 7 1 0 0 0 27 21 1 0 0 0 28 10 2 0 0 0 29 20 2 0 0 0 30 28 1 0 0 0 31 30 2 0 0 0 29 31 1 0 0 0 M END > 7.95860731484177 > 7.95860731484177 $$$$ 11280715082D 1 1.00000 0.00000 0 32 34 0 0 0 999 V2000 0.8375 -1.4042 0.0000 C 0 0 3 0 0 0 0 0 0 0.1250 -1.8250 0.0000 S 0 0 3 0 0 0 0 0 0 1.5542 -1.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0.1292 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 1.5500 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5958 -1.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0.8375 0.2458 0.0000 N 0 0 3 0 0 0 0 0 0 0.7042 -2.4042 0.0000 O 0 0 0 0 0 0 0 0 0 -0.4625 -2.4042 0.0000 O 0 0 0 0 0 0 0 0 0 1.5667 -2.6292 0.0000 O 0 0 0 0 0 0 0 0 0 2.2667 -1.3875 0.0000 N 0 0 0 0 0 0 0 0 0 0.1292 -0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 1.5500 -0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3083 -1.8250 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5958 -0.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0.8375 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 1.5542 1.4833 0.0000 C 0 0 0 0 0 0 0 0 0 2.9792 2.3000 0.0000 C 0 0 0 0 0 0 0 0 0 -2.0208 -0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3083 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 -2.0208 -1.4125 0.0000 C 0 0 0 0 0 0 0 0 0 3.7000 2.7125 0.0000 F 0 0 0 0 0 0 0 0 0 2.9875 -1.7875 0.0000 O 0 0 0 0 0 0 0 0 0 2.2667 2.7125 0.0000 C 0 0 0 0 0 0 0 0 0 2.9792 1.4750 0.0000 C 0 0 0 0 0 0 0 0 0 1.5542 2.3000 0.0000 C 0 0 0 0 0 0 0 0 0 2.2667 1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 -2.7375 -0.1667 0.0000 O 0 0 0 0 0 0 0 0 0 -3.4500 -0.5792 0.0000 C 0 0 0 0 0 0 0 0 0 -4.1625 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 -4.8833 -0.5792 0.0000 C 0 0 0 0 0 0 0 0 0 -5.5958 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 1 1 0 0 0 5 1 1 0 0 0 6 2 1 0 0 0 7 13 1 0 0 0 8 2 2 0 0 0 9 2 2 0 0 0 10 3 2 0 0 0 11 3 1 0 0 0 12 4 1 0 0 0 13 5 1 0 0 0 14 6 2 0 0 0 15 6 1 0 0 0 16 7 1 0 0 0 17 16 1 0 0 0 18 25 2 0 0 0 19 20 1 0 0 0 20 15 2 0 0 0 21 14 1 0 0 0 22 18 1 0 0 0 23 11 1 0 0 0 24 26 2 0 0 0 25 27 1 0 0 0 26 17 1 0 0 0 27 17 2 0 0 0 28 19 1 0 0 0 29 28 1 0 0 0 30 29 1 0 0 0 31 30 1 0 0 0 32 31 1 0 0 0 12 7 1 0 0 0 19 21 2 0 0 0 24 18 1 0 0 0 M END > 8.30102999566398 > 5.32513885926219 $$$$ 11280715152D 1 1.00000 0.00000 0 29 31 0 1 0 999 V2000 2.2917 -4.2542 0.0000 S 0 0 3 0 0 0 0 0 0 2.6750 -2.0542 0.0000 C 0 0 2 0 0 0 0 0 0 2.0875 -3.4667 0.0000 N 0 0 3 0 0 0 0 0 0 3.3875 -1.6417 0.0000 C 0 0 2 0 0 0 0 0 0 4.1000 -2.0542 0.0000 C 0 0 0 0 0 0 0 0 0 2.6750 -2.8792 0.0000 C 0 0 0 0 0 0 0 0 0 4.8167 -1.6417 0.0000 N 0 0 3 0 0 0 0 0 0 1.2625 -3.4625 0.0000 C 0 0 3 0 0 0 0 0 0 1.9542 -1.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0.5500 -3.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0.5417 -3.8667 0.0000 C 0 0 0 0 0 0 0 0 0 3.0917 -4.0417 0.0000 O 0 0 0 0 0 0 0 0 0 1.4917 -4.4750 0.0000 O 0 0 0 0 0 0 0 0 0 3.3875 -0.8167 0.0000 C 0 0 0 0 0 0 0 0 0 4.1000 -2.8792 0.0000 O 0 0 0 0 0 0 0 0 0 1.9542 -0.8167 0.0000 O 0 0 0 0 0 0 0 0 0 1.2417 -2.0542 0.0000 N 0 0 0 0 0 0 0 0 0 2.5042 -5.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0.5292 -1.6417 0.0000 O 0 0 0 0 0 0 0 0 0 5.5250 -2.0542 0.0000 C 0 0 0 0 0 0 0 0 0 4.8042 -0.8167 0.0000 C 0 0 0 0 0 0 0 0 0 3.9667 -0.2292 0.0000 C 0 0 3 0 0 0 0 0 0 4.7875 -0.3542 0.0000 C 0 0 0 0 0 0 0 0 0 3.8292 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 5.5292 -0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 6.2375 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 4.5667 0.9625 0.0000 C 0 0 0 0 0 0 0 0 0 5.1542 0.3833 0.0000 C 0 0 0 0 0 0 0 0 0 6.2417 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 2 6 1 6 0 0 3 1 1 0 0 0 4 2 1 0 0 0 5 4 1 0 0 0 6 3 1 0 0 0 7 5 1 0 0 0 8 3 1 0 0 0 9 2 1 0 0 0 10 8 1 0 0 0 11 8 1 0 0 0 12 1 2 0 0 0 13 1 2 0 0 0 4 14 1 1 0 0 15 5 2 0 0 0 16 9 2 0 0 0 17 9 1 0 0 0 18 1 1 0 0 0 19 17 1 0 0 0 20 7 1 0 0 0 21 7 1 0 0 0 22 14 1 0 0 0 23 22 1 0 0 0 24 22 1 0 0 0 25 21 1 0 0 0 26 20 1 0 0 0 27 24 1 0 0 0 28 23 1 0 0 0 29 25 1 0 0 0 11 10 1 0 0 0 28 27 1 0 0 0 26 29 1 0 0 0 M END > 7 > 8 $$$$ 11280715142D 1 1.00000 0.00000 0 23 23 0 1 0 999 V2000 3.9500 0.0208 0.0000 S 0 0 3 0 0 0 0 0 0 3.2292 -0.4042 0.0000 N 0 0 0 0 0 0 0 0 0 3.2417 -1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 2.5292 -1.6542 0.0000 C 0 0 0 0 0 0 0 0 0 4.6667 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 7.5292 2.9333 0.0000 C 0 0 0 0 0 0 0 0 0 8.2500 3.3583 0.0000 C 0 0 0 0 0 0 0 0 0 4.3750 -0.7042 0.0000 O 0 0 0 0 0 0 0 0 0 3.5250 0.7375 0.0000 O 0 0 0 0 0 0 0 0 0 2.5417 -2.4792 0.0000 O 0 0 0 0 0 0 0 0 0 1.8125 -1.2417 0.0000 N 0 0 0 0 0 0 0 0 0 3.9625 -1.6417 0.0000 C 0 0 3 0 0 0 0 0 0 5.3792 0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 4.6667 1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 6.1000 1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 5.3792 1.6833 0.0000 C 0 0 0 0 0 0 0 0 0 6.1000 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 1.1000 -1.6542 0.0000 O 0 0 0 0 0 0 0 0 0 3.9625 -2.4667 0.0000 O 0 0 0 0 0 0 0 0 0 6.8167 2.5208 0.0000 C 0 0 0 0 0 0 0 0 0 6.8167 1.6958 0.0000 O 0 0 0 0 0 0 0 0 0 8.9667 3.7708 0.0000 C 0 0 0 0 0 0 0 0 0 4.6750 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 1 1 0 0 0 6 20 1 0 0 0 7 6 3 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 4 2 0 0 0 11 4 1 0 0 0 3 12 1 6 0 0 13 5 1 0 0 0 14 5 2 0 0 0 15 16 2 0 0 0 16 14 1 0 0 0 17 13 2 0 0 0 18 11 1 0 0 0 19 12 1 0 0 0 20 21 1 0 0 0 21 15 1 0 0 0 22 7 1 0 0 0 23 12 1 0 0 0 15 17 1 0 0 0 M END > 7.06550154875643 > 5.60712725459792 $$$$ 11280715232D 1 1.00000 0.00000 0 14 14 0 0 0 999 V2000 5.2542 -3.8417 0.0000 S 0 0 3 0 0 0 0 0 0 4.1042 -3.2250 0.0000 C 0 0 0 0 0 0 0 0 0 4.5042 -3.8750 0.0000 C 0 0 0 0 0 0 0 0 0 4.4750 -2.5542 0.0000 C 0 0 0 0 0 0 0 0 0 6.0250 -3.8417 0.0000 N 0 0 0 0 0 0 0 0 0 5.2542 -4.8042 0.0000 O 0 0 0 0 0 0 0 0 0 5.2417 -3.0750 0.0000 O 0 0 0 0 0 0 0 0 0 5.1917 -2.4542 0.0000 O 0 0 0 0 0 0 0 0 0 4.0792 -1.9000 0.0000 O 0 0 0 0 0 0 0 0 0 6.3417 -4.8042 0.0000 O 0 0 0 0 0 0 0 0 0 3.3542 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 4.1542 -4.5292 0.0000 C 0 0 0 0 0 0 0 0 0 3.0042 -3.9125 0.0000 C 0 0 0 0 0 0 0 0 0 3.4042 -4.5500 0.0000 C 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 3 1 1 0 0 0 4 2 1 0 0 0 5 1 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 4 2 0 0 0 9 4 1 0 0 0 10 5 1 0 0 0 11 2 1 0 0 0 12 3 1 0 0 0 13 14 1 0 0 0 14 12 2 0 0 0 11 13 2 0 0 0 M END > 5.15490195998574 > 7.09691001300806 $$$$ 11280715322D 1 1.00000 0.00000 0 24 25 0 1 0 999 V2000 3.7292 -2.0625 0.0000 S 0 0 3 0 0 0 0 0 0 3.7292 -2.6625 0.0000 N 0 0 3 0 0 0 0 0 0 3.2500 -3.0125 0.0000 C 0 0 1 0 0 0 0 0 0 2.6792 -2.8292 0.0000 C 0 0 0 0 0 0 0 0 0 4.2167 -3.0125 0.0000 C 0 0 0 0 0 0 0 0 0 4.2542 -1.7625 0.0000 C 0 0 0 0 0 0 0 0 0 3.4292 -3.5875 0.0000 C 0 0 0 0 0 0 0 0 0 3.7250 -1.4625 0.0000 O 0 0 0 0 0 0 0 0 0 3.1500 -1.9042 0.0000 O 0 0 0 0 0 0 0 0 0 4.0292 -3.5875 0.0000 C 0 0 2 0 0 0 0 0 0 2.5542 -2.2417 0.0000 O 0 0 0 0 0 0 0 0 0 2.2292 -3.2292 0.0000 N 0 0 0 0 0 0 0 0 0 4.7750 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 4.2542 -1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 4.3875 -4.0667 0.0000 N 0 0 0 0 0 0 0 0 0 5.2917 -1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 5.2917 -1.7625 0.0000 C 0 0 0 0 0 0 0 0 0 4.7667 -0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 1.6625 -3.0417 0.0000 O 0 0 0 0 0 0 0 0 0 5.8125 -0.8625 0.0000 O 0 0 0 0 0 0 0 0 0 4.9792 -4.0042 0.0000 C 0 0 0 0 0 0 0 0 0 6.3292 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 5.3375 -4.4917 0.0000 C 0 0 0 0 0 0 0 0 0 5.9292 -4.4292 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 2 1 0 0 0 6 1 1 0 0 0 3 7 1 6 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 5 1 0 0 0 11 4 2 0 0 0 12 4 1 0 0 0 13 6 2 0 0 0 14 6 1 0 0 0 10 15 1 1 0 0 16 18 1 0 0 0 17 13 1 0 0 0 18 14 2 0 0 0 19 12 1 0 0 0 20 16 1 0 0 0 21 15 1 0 0 0 22 20 1 0 0 0 23 21 1 0 0 0 24 23 1 0 0 0 16 17 2 0 0 0 10 7 1 0 0 0 M END > 8.30102999566398 > 6.82390874094432 $$$$ 11280715082D 1 1.00000 0.00000 0 33 35 0 0 0 999 V2000 3.6167 -4.7167 0.0000 C 0 0 3 0 0 0 0 0 0 2.9042 -5.1375 0.0000 S 0 0 3 0 0 0 0 0 0 4.3417 -5.1167 0.0000 C 0 0 0 0 0 0 0 0 0 2.9125 -4.3125 0.0000 C 0 0 0 0 0 0 0 0 0 4.3292 -4.3125 0.0000 C 0 0 0 0 0 0 0 0 0 2.1917 -4.7250 0.0000 C 0 0 0 0 0 0 0 0 0 3.6167 -3.0667 0.0000 N 0 0 3 0 0 0 0 0 0 3.4917 -5.7167 0.0000 O 0 0 0 0 0 0 0 0 0 2.3167 -5.7167 0.0000 O 0 0 0 0 0 0 0 0 0 4.3542 -5.9417 0.0000 O 0 0 0 0 0 0 0 0 0 5.0500 -4.7000 0.0000 N 0 0 0 0 0 0 0 0 0 2.9125 -3.4875 0.0000 C 0 0 0 0 0 0 0 0 0 4.3292 -3.4875 0.0000 C 0 0 0 0 0 0 0 0 0 3.6167 -2.2417 0.0000 C 0 0 0 0 0 0 0 0 0 2.1917 -3.8917 0.0000 C 0 0 0 0 0 0 0 0 0 1.4750 -5.1375 0.0000 C 0 0 0 0 0 0 0 0 0 4.3375 -1.8292 0.0000 C 0 0 0 0 0 0 0 0 0 4.3292 -1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0.7625 -3.9000 0.0000 C 0 0 0 0 0 0 0 0 0 1.4750 -3.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0.7625 -4.7250 0.0000 C 0 0 0 0 0 0 0 0 0 5.0417 -0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 5.7667 -5.1000 0.0000 O 0 0 0 0 0 0 0 0 0 0.0417 -3.4792 0.0000 O 0 0 0 0 0 0 0 0 0 5.0417 0.2333 0.0000 O 0 0 0 0 0 0 0 0 0 5.7625 -1.8375 0.0000 C 0 0 0 0 0 0 0 0 0 5.0500 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 5.7667 -1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6708 -3.8917 0.0000 C 0 0 0 0 0 0 0 0 0 4.3292 0.6375 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3833 -3.4792 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3833 -2.6542 0.0000 C 0 0 0 0 0 0 0 0 0 -2.0958 -2.2417 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 1 1 0 0 0 5 1 1 0 0 0 6 2 1 0 0 0 7 13 1 0 0 0 8 2 2 0 0 0 9 2 2 0 0 0 10 3 2 0 0 0 11 3 1 0 0 0 12 4 1 0 0 0 13 5 1 0 0 0 14 7 1 0 0 0 15 6 1 0 0 0 16 6 2 0 0 0 17 14 1 0 0 0 18 17 1 0 0 0 19 21 2 0 0 0 20 15 2 0 0 0 21 16 1 0 0 0 22 18 2 0 0 0 23 11 1 0 0 0 24 19 1 0 0 0 25 22 1 0 0 0 26 27 1 0 0 0 27 17 2 0 0 0 28 26 2 0 0 0 29 24 1 0 0 0 30 25 1 0 0 0 31 29 1 0 0 0 32 31 1 0 0 0 33 32 1 0 0 0 12 7 1 0 0 0 20 19 1 0 0 0 22 28 1 0 0 0 M END > 9 > 5.82390874094432 $$$$ 11280715332D 1 1.00000 0.00000 0 23 24 0 1 0 999 V2000 5.9542 -3.1167 0.0000 S 0 0 3 0 0 0 0 0 0 6.2417 -3.9000 0.0000 N 0 0 3 0 0 0 0 0 0 5.7167 -4.5292 0.0000 C 0 0 1 0 0 0 0 0 0 4.8917 -4.4875 0.0000 C 0 0 0 0 0 0 0 0 0 7.0042 -4.2042 0.0000 C 0 0 0 0 0 0 0 0 0 6.9500 -5.0292 0.0000 C 0 0 0 0 0 0 0 0 0 6.1542 -5.2250 0.0000 C 0 0 0 0 0 0 0 0 0 6.7375 -2.8292 0.0000 C 0 0 0 0 0 0 0 0 0 5.6667 -2.3417 0.0000 O 0 0 0 0 0 0 0 0 0 5.1792 -3.4042 0.0000 O 0 0 0 0 0 0 0 0 0 7.5750 -5.5667 0.0000 N 0 0 0 0 0 0 0 0 0 4.5167 -3.7542 0.0000 O 0 0 0 0 0 0 0 0 0 4.4375 -5.1792 0.0000 N 0 0 0 0 0 0 0 0 0 7.3667 -3.3542 0.0000 C 0 0 0 0 0 0 0 0 0 6.8792 -2.0167 0.0000 C 0 0 0 0 0 0 0 0 0 8.2792 -2.2667 0.0000 C 0 0 0 0 0 0 0 0 0 7.6500 -1.7375 0.0000 C 0 0 0 0 0 0 0 0 0 8.1375 -3.0750 0.0000 C 0 0 0 0 0 0 0 0 0 8.3500 -5.3000 0.0000 O 0 0 0 0 0 0 0 0 0 3.6125 -5.1375 0.0000 O 0 0 0 0 0 0 0 0 0 9.0667 -1.9792 0.0000 O 0 0 0 0 0 0 0 0 0 8.9792 -5.8375 0.0000 C 0 0 0 0 0 0 0 0 0 9.7000 -2.5167 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 2 1 0 0 0 6 5 1 0 0 0 3 7 1 6 0 0 8 1 1 0 0 0 9 1 2 0 0 0 10 1 2 0 0 0 11 6 2 0 0 0 12 4 2 0 0 0 13 4 1 0 0 0 14 8 2 0 0 0 15 8 1 0 0 0 16 17 1 0 0 0 17 15 2 0 0 0 18 14 1 0 0 0 19 11 1 0 0 0 20 13 1 0 0 0 21 16 1 0 0 0 22 19 1 0 0 0 23 21 1 0 0 0 16 18 2 0 0 0 6 7 1 0 0 0 M END > 9.30102999566398 > 8 $$$$ 11280715452D 1 1.00000 0.00000 0 30 32 0 1 0 999 V2000 3.7292 -11.0167 0.0000 S 0 0 3 0 0 0 0 0 0 3.7292 -10.1917 0.0000 N 0 0 3 0 0 0 0 0 0 4.4417 -9.7875 0.0000 C 0 0 1 0 0 0 0 0 0 5.1542 -10.2000 0.0000 C 0 0 0 0 0 0 0 0 0 3.7292 -11.8417 0.0000 C 0 0 0 0 0 0 0 0 0 4.4417 -8.9625 0.0000 C 0 0 2 0 0 0 0 0 0 4.5542 -11.0167 0.0000 O 0 0 0 0 0 0 0 0 0 2.9042 -11.0125 0.0000 O 0 0 0 0 0 0 0 0 0 6.6542 -13.7167 0.0000 N 0 0 0 0 0 0 0 0 0 6.5417 -14.5292 0.0000 C 0 0 0 0 0 0 0 0 0 5.5667 -10.9125 0.0000 O 0 0 0 0 0 0 0 0 0 5.8667 -9.7792 0.0000 N 0 0 0 0 0 0 0 0 0 3.0167 -9.7875 0.0000 C 0 0 0 0 0 0 0 0 0 4.4292 -12.2542 0.0000 C 0 0 0 0 0 0 0 0 0 3.0042 -12.2417 0.0000 C 0 0 0 0 0 0 0 0 0 3.7042 -14.3125 0.0000 O 0 0 0 0 0 0 0 0 0 5.7667 -14.8250 0.0000 C 0 0 0 0 0 0 0 0 0 3.7042 -13.4875 0.0000 C 0 0 0 0 0 0 0 0 0 4.4417 -8.1375 0.0000 O 0 0 0 0 0 0 0 0 0 7.1792 -15.0417 0.0000 Cl 0 0 0 0 0 0 0 0 0 5.1167 -14.3125 0.0000 C 0 0 0 0 0 0 0 0 0 4.4167 -14.7250 0.0000 C 0 0 0 0 0 0 0 0 0 6.0167 -13.2000 0.0000 C 0 0 0 0 0 0 0 0 0 4.4292 -13.0792 0.0000 C 0 0 0 0 0 0 0 0 0 2.9917 -13.0667 0.0000 C 0 0 0 0 0 0 0 0 0 6.5792 -10.1917 0.0000 O 0 0 0 0 0 0 0 0 0 3.7292 -8.5417 0.0000 C 0 0 0 0 0 0 0 0 0 3.0167 -8.9625 0.0000 C 0 0 0 0 0 0 0 0 0 5.2417 -8.7417 0.0000 C 0 0 0 0 0 0 0 0 0 5.2542 -13.5000 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 3 4 1 6 0 0 5 1 1 0 0 0 6 3 1 0 0 0 7 1 2 0 0 0 8 1 2 0 0 0 9 23 1 0 0 0 10 17 1 0 0 0 11 4 2 0 0 0 12 4 1 0 0 0 13 2 1 0 0 0 14 5 1 0 0 0 15 5 2 0 0 0 16 18 1 0 0 0 17 21 2 0 0 0 18 25 2 0 0 0 6 19 1 1 0 0 20 10 1 0 0 0 21 22 1 0 0 0 22 16 1 0 0 0 23 30 2 0 0 0 24 14 2 0 0 0 25 15 1 0 0 0 26 12 1 0 0 0 27 28 1 0 0 0 28 13 1 0 0 0 6 29 1 6 0 0 30 21 1 0 0 0 18 24 1 0 0 0 27 6 1 0 0 0 9 10 2 0 0 0 M END > 9.36653154442041 > 6.2839966563652 $$$$ 11280715242D 1 1.00000 0.00000 0 21 22 0 0 0 999 V2000 4.8750 -2.2667 0.0000 S 0 0 3 0 0 0 0 0 0 4.8750 -2.8667 0.0000 N 0 0 3 0 0 0 0 0 0 4.3625 -3.1667 0.0000 C 0 0 3 0 0 0 0 0 0 3.8417 -2.8667 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -1.9625 0.0000 C 0 0 0 0 0 0 0 0 0 4.3250 -1.8792 0.0000 O 0 0 0 0 0 0 0 0 0 5.5875 -2.6792 0.0000 O 0 0 0 0 0 0 0 0 0 3.8375 -2.2667 0.0000 O 0 0 0 0 0 0 0 0 0 4.8750 -4.0667 0.0000 N 0 0 0 0 0 0 0 0 0 5.3917 -3.1667 0.0000 C 0 0 0 0 0 0 0 0 0 3.3167 -3.1667 0.0000 N 0 0 0 0 0 0 0 0 0 5.3917 -1.3667 0.0000 C 0 0 0 0 0 0 0 0 0 5.9125 -2.2625 0.0000 C 0 0 0 0 0 0 0 0 0 4.3625 -3.7667 0.0000 C 0 0 0 0 0 0 0 0 0 6.4292 -1.3625 0.0000 C 0 0 0 0 0 0 0 0 0 6.4292 -1.9625 0.0000 C 0 0 0 0 0 0 0 0 0 5.9042 -1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 2.8000 -2.8667 0.0000 O 0 0 0 0 0 0 0 0 0 5.3917 -3.7667 0.0000 C 0 0 0 0 0 0 0 0 0 6.9500 -1.0625 0.0000 O 0 0 0 0 0 0 0 0 0 7.4667 -1.3542 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 1 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 4 2 0 0 0 9 19 1 0 0 0 10 2 1 0 0 0 11 4 1 0 0 0 12 5 1 0 0 0 13 5 2 0 0 0 14 3 1 0 0 0 15 16 2 0 0 0 16 13 1 0 0 0 17 12 2 0 0 0 18 11 1 0 0 0 19 10 1 0 0 0 20 15 1 0 0 0 21 20 1 0 0 0 17 15 1 0 0 0 9 14 1 0 0 0 M END > 8.76955107862173 > 6.75696195131371 $$$$ 11280715312D 1 1.00000 0.00000 0 29 30 0 1 0 999 V2000 3.7292 -2.4417 0.0000 N 0 0 3 0 0 0 0 0 0 3.7292 -1.8417 0.0000 S 0 0 3 0 0 0 0 0 0 3.2500 -2.7917 0.0000 C 0 0 2 0 0 0 0 0 0 4.2167 -2.7917 0.0000 C 0 0 0 0 0 0 0 0 0 4.0292 -3.3667 0.0000 C 0 0 2 0 0 0 0 0 0 3.4292 -3.3667 0.0000 C 0 0 0 0 0 0 0 0 0 4.9792 -3.7917 0.0000 C 0 0 0 0 0 0 0 0 0 2.6792 -2.6125 0.0000 C 0 0 0 0 0 0 0 0 0 4.3875 -3.8542 0.0000 N 0 0 3 0 0 0 0 0 0 4.2542 -1.5417 0.0000 C 0 0 0 0 0 0 0 0 0 3.1500 -1.6875 0.0000 O 0 0 0 0 0 0 0 0 0 3.7250 -1.2417 0.0000 O 0 0 0 0 0 0 0 0 0 5.2417 -3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 2.5542 -2.0250 0.0000 O 0 0 0 0 0 0 0 0 0 2.2292 -3.0125 0.0000 N 0 0 0 0 0 0 0 0 0 5.3375 -4.2792 0.0000 C 0 0 1 0 0 0 0 0 0 4.7750 -1.8417 0.0000 C 0 0 0 0 0 0 0 0 0 4.2542 -0.9417 0.0000 C 0 0 0 0 0 0 0 0 0 5.2917 -0.9417 0.0000 C 0 0 0 0 0 0 0 0 0 4.7667 -0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 5.2917 -1.5417 0.0000 C 0 0 0 0 0 0 0 0 0 1.6625 -2.8292 0.0000 O 0 0 0 0 0 0 0 0 0 3.9917 -4.4042 0.0000 C 0 0 0 0 0 0 0 0 0 5.0917 -4.8250 0.0000 O 0 0 0 0 0 0 0 0 0 5.8125 -0.6417 0.0000 O 0 0 0 0 0 0 0 0 0 5.9292 -4.2125 0.0000 C 0 0 0 0 0 0 0 0 0 6.3292 -0.9417 0.0000 C 0 0 0 0 0 0 0 0 0 3.3167 -4.3292 0.0000 C 0 0 0 0 0 0 0 0 0 2.9292 -4.8792 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 1 1 0 0 0 5 4 1 0 0 0 3 6 1 6 0 0 7 9 1 0 0 0 8 3 1 0 0 0 5 9 1 1 0 0 10 2 1 0 0 0 11 2 2 0 0 0 12 2 2 0 0 0 13 7 2 0 0 0 14 8 2 0 0 0 15 8 1 0 0 0 16 7 1 0 0 0 17 10 2 0 0 0 18 10 1 0 0 0 19 20 1 0 0 0 20 18 2 0 0 0 21 17 1 0 0 0 22 15 1 0 0 0 23 9 1 0 0 0 16 24 1 6 0 0 25 19 1 0 0 0 26 16 1 0 0 0 27 25 1 0 0 0 28 23 1 0 0 0 29 28 1 0 0 0 5 6 1 0 0 0 19 21 2 0 0 0 M END > 9 > 7.06048074738138 $$$$ 11280715212D 1 1.00000 0.00000 0 27 29 0 1 0 999 V2000 -1.4625 2.1125 0.0000 S 0 0 3 0 0 0 0 0 0 -2.9083 2.1250 0.0000 C 0 0 2 0 0 0 0 0 0 -2.1875 2.5458 0.0000 N 0 0 0 0 0 0 0 0 0 -3.6250 2.5458 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7375 1.6875 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0333 2.8458 0.0000 O 0 0 0 0 0 0 0 0 0 -1.7458 1.3875 0.0000 O 0 0 0 0 0 0 0 0 0 -3.6250 3.3833 0.0000 O 0 0 0 0 0 0 0 0 0 -4.3458 2.1250 0.0000 N 0 0 0 0 0 0 0 0 0 -2.1833 1.7083 0.0000 C 0 0 0 0 0 0 0 0 0 -3.6333 0.8750 0.0000 O 0 0 0 0 0 0 0 0 0 1.4167 0.4375 0.0000 O 0 0 0 0 0 0 0 0 0 -0.7375 0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0208 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 -3.6333 1.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0.7000 0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 1.4167 -0.3917 0.0000 C 0 0 0 0 0 0 0 0 0 1.4167 -2.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0.7000 1.6875 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0208 0.4333 0.0000 C 0 0 0 0 0 0 0 0 0 1.4167 -2.8792 0.0000 F 0 0 0 0 0 0 0 0 0 -4.3458 1.2958 0.0000 O 0 0 0 0 0 0 0 0 0 2.1292 -0.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0.6917 -0.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0.6917 -1.6375 0.0000 C 0 0 0 0 0 0 0 0 0 2.1417 -1.6292 0.0000 C 0 0 0 0 0 0 0 0 0 -2.1875 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 2 3 1 6 0 0 3 1 1 0 0 0 4 2 1 0 0 0 5 1 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 4 2 0 0 0 9 4 1 0 0 0 10 2 1 0 0 0 11 15 1 0 0 0 12 16 1 0 0 0 13 5 2 0 0 0 14 5 1 0 0 0 15 2 1 0 0 0 16 19 1 0 0 0 17 12 1 0 0 0 18 25 2 0 0 0 19 14 2 0 0 0 20 13 1 0 0 0 21 18 1 0 0 0 22 9 1 0 0 0 23 17 1 0 0 0 24 17 2 0 0 0 25 24 1 0 0 0 26 23 2 0 0 0 27 10 1 0 0 0 16 20 2 0 0 0 27 11 1 0 0 0 18 26 1 0 0 0 M END > 9.11350927482752 > 6.13076828026902 $$$$ 11280715242D 1 1.00000 0.00000 0 31 32 0 0 0 999 V2000 4.8750 -0.8375 0.0000 S 0 0 3 0 0 0 0 0 0 4.8750 -1.4375 0.0000 N 0 0 3 0 0 0 0 0 0 4.3625 -1.7375 0.0000 C 0 0 3 0 0 0 0 0 0 4.8750 -2.6375 0.0000 N 0 0 3 0 0 0 0 0 0 4.8750 -3.2375 0.0000 C 0 0 0 0 0 0 0 0 0 4.3625 -2.3375 0.0000 C 0 0 0 0 0 0 0 0 0 3.8417 -1.4375 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -1.7375 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 4.3250 -0.4500 0.0000 O 0 0 0 0 0 0 0 0 0 5.5875 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 5.3917 -2.3375 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -3.5375 0.0000 N 0 0 3 0 0 0 0 0 0 4.3542 -3.5292 0.0000 O 0 0 0 0 0 0 0 0 0 3.8375 -0.8375 0.0000 O 0 0 0 0 0 0 0 0 0 3.3167 -1.7375 0.0000 N 0 0 0 0 0 0 0 0 0 5.9125 -0.8292 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 6.4292 0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 5.9042 0.3708 0.0000 C 0 0 0 0 0 0 0 0 0 6.4292 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 2.8000 -1.4375 0.0000 O 0 0 0 0 0 0 0 0 0 6.9500 0.3708 0.0000 O 0 0 0 0 0 0 0 0 0 5.3917 -4.1292 0.0000 C 0 0 0 0 0 0 0 0 0 5.9167 -3.2375 0.0000 C 0 0 0 0 0 0 0 0 0 7.4667 0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 4.8750 -4.4375 0.0000 C 0 0 0 0 0 0 0 0 0 4.3500 -5.9292 0.0000 C 0 0 0 0 0 0 0 0 0 4.3542 -5.3292 0.0000 C 0 0 0 0 0 0 0 0 0 4.8667 -5.0375 0.0000 C 0 0 0 0 0 0 0 0 0 3.8292 -6.2292 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 12 1 0 0 0 5 4 1 0 0 0 6 3 1 0 0 0 7 3 1 0 0 0 8 2 1 0 0 0 9 1 1 0 0 0 10 1 2 0 0 0 11 1 2 0 0 0 12 8 1 0 0 0 13 5 1 0 0 0 14 5 2 0 0 0 15 7 2 0 0 0 16 7 1 0 0 0 17 9 2 0 0 0 18 9 1 0 0 0 19 20 1 0 0 0 20 18 2 0 0 0 21 17 1 0 0 0 22 16 1 0 0 0 23 19 1 0 0 0 24 13 1 0 0 0 25 13 1 0 0 0 26 23 1 0 0 0 27 24 1 0 0 0 28 29 1 0 0 0 29 30 1 0 0 0 30 27 1 0 0 0 31 28 1 0 0 0 19 21 2 0 0 0 4 6 1 0 0 0 M END > 8.72124639904717 > 7.14874165128093 $$$$ 11280715002D 1 1.00000 0.00000 0 39 41 0 0 0 999 V2000 7.6417 -8.2792 0.0000 S 0 0 3 0 0 0 0 0 0 5.0500 -5.5792 0.0000 S 0 0 3 0 0 0 0 0 0 7.6417 -7.6792 0.0000 N 0 0 0 0 0 0 0 0 0 4.5250 -5.2750 0.0000 N 0 0 3 0 0 0 0 0 0 6.6125 -3.4625 0.0000 N 0 3 0 0 0 0 0 0 0 7.1250 -7.3792 0.0000 C 0 0 0 0 0 0 0 0 0 4.0042 -5.5792 0.0000 C 0 0 0 0 0 0 0 0 0 7.6417 -8.8875 0.0000 C 0 0 0 0 0 0 0 0 0 3.4792 -5.2750 0.0000 C 0 0 0 0 0 0 0 0 0 5.5667 -5.8792 0.0000 C 0 0 0 0 0 0 0 0 0 8.2500 -8.2792 0.0000 O 0 0 0 0 0 0 0 0 0 7.0417 -8.2792 0.0000 O 0 0 0 0 0 0 0 0 0 4.7417 -6.1000 0.0000 O 0 0 0 0 0 0 0 0 0 5.3542 -5.0625 0.0000 O 0 0 0 0 0 0 0 0 0 6.0917 -3.7667 0.0000 C 0 0 0 0 0 0 0 0 0 7.1167 -6.7750 0.0000 N 0 0 0 0 0 0 0 0 0 7.1417 -3.7667 0.0000 O 0 5 0 0 0 0 0 0 0 4.5250 -4.6667 0.0000 C 0 0 0 0 0 0 0 0 0 6.6125 -2.8542 0.0000 O 0 0 0 0 0 0 0 0 0 6.6000 -7.6792 0.0000 O 0 0 0 0 0 0 0 0 0 2.9542 -5.5792 0.0000 O 0 0 0 0 0 0 0 0 0 8.1625 -9.1875 0.0000 C 0 0 0 0 0 0 0 0 0 3.4792 -4.6667 0.0000 N 0 0 0 0 0 0 0 0 0 5.5667 -6.4667 0.0000 C 0 0 0 0 0 0 0 0 0 6.0792 -5.5792 0.0000 C 0 0 0 0 0 0 0 0 0 5.5667 -3.4625 0.0000 C 0 0 0 0 0 0 0 0 0 6.0917 -4.3667 0.0000 C 0 0 0 0 0 0 0 0 0 6.5917 -6.4667 0.0000 C 0 0 0 0 0 0 0 0 0 5.0500 -4.3667 0.0000 C 0 0 0 0 0 0 0 0 0 6.5917 -5.8750 0.0000 C 0 0 0 0 0 0 0 0 0 6.0792 -6.7750 0.0000 C 0 0 0 0 0 0 0 0 0 5.5667 -4.6667 0.0000 C 0 0 0 0 0 0 0 0 0 5.0500 -3.7667 0.0000 C 0 0 0 0 0 0 0 0 0 2.9542 -4.3667 0.0000 O 0 0 0 0 0 0 0 0 0 7.1167 -9.1792 0.0000 C 0 0 0 0 0 0 0 0 0 8.6875 -8.8875 0.0000 C 0 0 0 0 0 0 0 0 0 8.1542 -9.7792 0.0000 C 0 0 0 0 0 0 0 0 0 7.1125 -9.7792 0.0000 C 0 0 0 0 0 0 0 0 0 7.6292 -10.0792 0.0000 C 0 0 0 0 0 0 0 0 0 2 10 1 0 0 0 3 1 1 0 0 0 4 2 1 0 0 0 5 15 1 0 0 0 6 3 1 0 0 0 7 4 1 0 0 0 8 1 1 0 0 0 9 7 1 0 0 0 10 24 2 0 0 0 11 1 2 0 0 0 12 1 2 0 0 0 13 2 2 0 0 0 14 2 2 0 0 0 15 26 1 0 0 0 16 6 1 0 0 0 17 5 1 0 0 0 18 4 1 0 0 0 19 5 2 0 0 0 20 6 2 0 0 0 21 9 2 0 0 0 22 8 1 0 0 0 23 9 1 0 0 0 24 31 1 0 0 0 25 30 2 0 0 0 26 33 2 0 0 0 27 32 1 0 0 0 28 16 1 0 0 0 29 18 1 0 0 0 30 28 1 0 0 0 31 28 2 0 0 0 32 29 2 0 0 0 33 29 1 0 0 0 34 23 1 0 0 0 35 8 2 0 0 0 36 22 1 0 0 0 37 22 2 0 0 0 38 35 1 0 0 0 39 38 2 0 0 0 37 39 1 0 0 0 25 10 1 0 0 0 27 15 2 0 0 0 M CHG 2 5 1 17 -1 M END > 7.69897000433602 > 7.69897000433602 $$$$ 11280715012D 1 1.00000 0.00000 0 36 38 0 1 0 999 V2000 3.6417 -1.2292 0.0000 S 0 0 3 0 0 0 0 0 0 2.9292 -0.8167 0.0000 N 0 0 0 0 0 0 0 0 0 2.2042 -1.2292 0.0000 C 0 0 1 0 0 0 0 0 0 1.4917 -0.8167 0.0000 C 0 0 0 0 0 0 0 0 0 2.9167 -4.9417 0.0000 C 0 0 0 0 0 0 0 0 0 4.3542 -0.8167 0.0000 C 0 0 0 0 0 0 0 0 0 3.0542 -1.8167 0.0000 O 0 0 0 0 0 0 0 0 0 4.2292 -1.8167 0.0000 O 0 0 0 0 0 0 0 0 0 2.2167 -2.0542 0.0000 C 0 0 3 0 0 0 0 0 0 2.2042 -4.5292 0.0000 N 0 0 0 0 0 0 0 0 0 5.7917 0.0083 0.0000 C 0 0 0 0 0 0 0 0 0 6.5042 0.4208 0.0000 C 0 0 0 0 0 0 0 0 0 2.9167 -5.7667 0.0000 O 0 0 0 0 0 0 0 0 0 1.4917 0.0083 0.0000 O 0 0 0 0 0 0 0 0 0 5.0667 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 4.3542 0.0083 0.0000 C 0 0 0 0 0 0 0 0 0 5.7917 -0.8167 0.0000 C 0 0 0 0 0 0 0 0 0 5.0667 0.4208 0.0000 C 0 0 0 0 0 0 0 0 0 6.4917 1.2458 0.0000 C 0 0 0 0 0 0 0 0 0 7.2167 0.0083 0.0000 C 0 0 0 0 0 0 0 0 0 1.4917 -2.4667 0.0000 C 0 0 0 0 0 0 0 0 0 2.9292 -2.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0.7792 -1.2292 0.0000 O 0 0 0 0 0 0 0 0 0 2.2042 -3.7042 0.0000 C 0 0 3 0 0 0 0 0 0 3.6292 -4.5292 0.0000 O 0 0 0 0 0 0 0 0 0 7.9167 1.2583 0.0000 C 0 0 0 0 0 0 0 0 0 7.2042 1.6583 0.0000 C 0 0 0 0 0 0 0 0 0 7.9292 0.4208 0.0000 C 0 0 0 0 0 0 0 0 0 2.9167 -3.2917 0.0000 C 0 0 0 0 0 0 0 0 0 1.4917 -3.2917 0.0000 C 0 0 0 0 0 0 0 0 0 8.6292 1.6708 0.0000 O 0 0 0 0 0 0 0 0 0 5.7792 -4.9417 0.0000 O 0 0 0 0 0 0 0 0 0 4.3417 -4.9417 0.0000 C 0 0 0 0 0 0 0 0 0 5.0667 -4.5292 0.0000 C 0 0 0 0 0 0 0 0 0 9.3542 1.2583 0.0000 C 0 0 0 0 0 0 0 0 0 6.4917 -4.5417 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 6 0 0 4 3 1 0 0 0 5 10 1 0 0 0 6 1 1 0 0 0 7 1 2 0 0 0 8 1 2 0 0 0 9 3 1 0 0 0 10 24 1 0 0 0 11 18 2 0 0 0 12 11 1 0 0 0 13 5 2 0 0 0 14 4 2 0 0 0 15 6 1 0 0 0 16 6 2 0 0 0 17 15 2 0 0 0 18 16 1 0 0 0 19 12 1 0 0 0 20 12 2 0 0 0 21 9 1 0 0 0 22 9 1 0 0 0 23 4 1 0 0 0 24 29 1 0 0 0 25 5 1 0 0 0 26 28 2 0 0 0 27 19 2 0 0 0 28 20 1 0 0 0 29 22 1 0 0 0 30 21 1 0 0 0 31 26 1 0 0 0 32 34 1 0 0 0 33 25 1 0 0 0 34 33 1 0 0 0 35 31 1 0 0 0 36 32 1 0 0 0 17 11 1 0 0 0 30 24 1 0 0 0 26 27 1 0 0 0 M END > 7.76955107862173 > 5.37851213541937 $$$$ 11280715462D 1 1.00000 0.00000 0 34 37 0 1 0 999 V2000 2.8667 -3.3542 0.0000 S 0 0 3 0 0 0 0 0 0 2.8667 -4.1792 0.0000 N 0 0 3 0 0 0 0 0 0 2.1542 -4.5917 0.0000 C 0 0 2 0 0 0 0 0 0 2.1500 -5.4167 0.0000 C 0 0 3 0 0 0 0 0 0 1.4375 -4.1792 0.0000 C 0 0 0 0 0 0 0 0 0 3.5917 -4.5917 0.0000 C 0 0 0 0 0 0 0 0 0 2.8750 -2.5292 0.0000 C 0 0 0 0 0 0 0 0 0 3.6917 -3.3500 0.0000 O 0 0 0 0 0 0 0 0 0 2.0417 -3.3500 0.0000 O 0 0 0 0 0 0 0 0 0 2.8667 -5.8375 0.0000 C 0 0 0 0 0 0 0 0 0 3.6250 1.1833 0.0000 C 0 0 0 0 0 0 0 0 0 2.9250 1.6208 0.0000 N 0 0 0 0 0 0 0 0 0 4.3542 1.5583 0.0000 C 0 0 0 0 0 0 0 0 0 1.4417 -3.3542 0.0000 O 0 0 0 0 0 0 0 0 0 3.5875 -5.4250 0.0000 C 0 0 1 0 0 0 0 0 0 0.7250 -4.5917 0.0000 N 0 0 0 0 0 0 0 0 0 3.6167 0.3583 0.0000 C 0 0 0 0 0 0 0 0 0 3.5917 -2.1167 0.0000 C 0 0 0 0 0 0 0 0 0 2.1667 -2.1125 0.0000 C 0 0 0 0 0 0 0 0 0 2.8917 -0.0500 0.0000 O 0 0 0 0 0 0 0 0 0 4.3917 2.3958 0.0000 C 0 0 0 0 0 0 0 0 0 2.8917 -0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 2.1417 -6.2417 0.0000 C 0 0 0 0 0 0 0 0 0 1.3250 -5.4167 0.0000 C 0 0 0 0 0 0 0 0 0 2.9542 2.4458 0.0000 C 0 0 0 0 0 0 0 0 0 3.6000 -1.2917 0.0000 C 0 0 0 0 0 0 0 0 0 2.1667 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0.0042 -4.1792 0.0000 O 0 0 0 0 0 0 0 0 0 4.3000 -5.8417 0.0000 O 0 0 0 0 0 0 0 0 0 5.0542 1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 3.6875 2.8333 0.0000 C 0 0 0 0 0 0 0 0 0 5.1250 2.7708 0.0000 C 0 0 0 0 0 0 0 0 0 5.7875 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 5.8167 2.3333 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 3 5 1 6 0 0 6 2 1 0 0 0 7 1 1 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 15 1 0 0 0 11 17 1 0 0 0 12 11 2 0 0 0 13 11 1 0 0 0 14 5 2 0 0 0 15 6 1 0 0 0 16 5 1 0 0 0 17 20 1 0 0 0 18 7 1 0 0 0 19 7 2 0 0 0 20 22 1 0 0 0 21 13 1 0 0 0 22 27 2 0 0 0 23 4 1 0 0 0 24 4 1 0 0 0 25 12 1 0 0 0 26 18 2 0 0 0 27 19 1 0 0 0 28 16 1 0 0 0 15 29 1 6 0 0 30 13 2 0 0 0 31 21 1 0 0 0 32 21 2 0 0 0 33 30 1 0 0 0 34 33 2 0 0 0 22 26 1 0 0 0 10 4 1 0 0 0 31 25 2 0 0 0 34 32 1 0 0 0 M END > 7.27572413039921 > 6.53760200210104 $$$$ 11280715242D 1 1.00000 0.00000 0 31 33 0 0 0 999 V2000 4.8750 -1.2875 0.0000 S 0 0 3 0 0 0 0 0 0 4.8750 -1.8875 0.0000 N 0 0 3 0 0 0 0 0 0 4.3625 -2.1875 0.0000 C 0 0 3 0 0 0 0 0 0 4.8750 -3.0875 0.0000 N 0 0 3 0 0 0 0 0 0 4.8750 -3.6875 0.0000 C 0 0 0 0 0 0 0 0 0 3.8417 -1.8875 0.0000 C 0 0 0 0 0 0 0 0 0 4.3625 -2.7875 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -2.1875 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 4.3250 -0.9000 0.0000 O 0 0 0 0 0 0 0 0 0 5.5875 -1.7000 0.0000 O 0 0 0 0 0 0 0 0 0 5.3917 -2.7875 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -3.9875 0.0000 O 0 0 0 0 0 0 0 0 0 4.3542 -3.9792 0.0000 O 0 0 0 0 0 0 0 0 0 3.8375 -1.2875 0.0000 O 0 0 0 0 0 0 0 0 0 3.3167 -2.1875 0.0000 N 0 0 0 0 0 0 0 0 0 5.9125 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -0.3875 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -4.5875 0.0000 C 0 0 0 0 0 0 0 0 0 6.4292 -0.3792 0.0000 C 0 0 0 0 0 0 0 0 0 6.4292 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 5.9042 -0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 2.8000 -1.8875 0.0000 O 0 0 0 0 0 0 0 0 0 4.8750 -4.8875 0.0000 C 0 0 0 0 0 0 0 0 0 6.9500 -0.0792 0.0000 O 0 0 0 0 0 0 0 0 0 4.8750 -5.4792 0.0000 C 0 0 0 0 0 0 0 0 0 4.3542 -4.5792 0.0000 C 0 0 0 0 0 0 0 0 0 7.4667 -0.3792 0.0000 C 0 0 0 0 0 0 0 0 0 3.8292 -4.8792 0.0000 C 0 0 0 0 0 0 0 0 0 4.3542 -5.7792 0.0000 C 0 0 0 0 0 0 0 0 0 3.8292 -5.4792 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 12 1 0 0 0 5 4 1 0 0 0 6 3 1 0 0 0 7 3 1 0 0 0 8 2 1 0 0 0 9 1 1 0 0 0 10 1 2 0 0 0 11 1 2 0 0 0 12 8 1 0 0 0 13 5 1 0 0 0 14 5 2 0 0 0 15 6 2 0 0 0 16 6 1 0 0 0 17 9 2 0 0 0 18 9 1 0 0 0 19 13 1 0 0 0 20 22 1 0 0 0 21 17 1 0 0 0 22 18 2 0 0 0 23 16 1 0 0 0 24 19 1 0 0 0 25 20 1 0 0 0 26 24 1 0 0 0 27 24 2 0 0 0 28 25 1 0 0 0 29 27 1 0 0 0 30 26 2 0 0 0 31 29 2 0 0 0 20 21 2 0 0 0 4 7 1 0 0 0 31 30 1 0 0 0 M END > 8.88605664769316 > 7.61978875828839 $$$$ SciTegic01161211243D 33 35 0 0 0 0 999 V2000 5.8193 -21.1247 0.0000 C 0 0 5.8181 -21.9524 0.0000 C 0 0 6.5310 -22.3653 0.0000 C 0 0 7.2504 -21.9518 0.0000 C 0 0 7.2472 -21.1208 0.0000 C 0 0 6.5290 -20.7120 0.0000 C 0 0 6.5252 -19.8870 0.0000 S 0 0 6.5176 -19.0577 0.0000 N 0 0 7.3502 -19.8813 0.0000 O 0 0 5.7003 -19.8970 0.0000 O 0 0 7.2283 -18.6387 0.0000 C 0 0 7.9465 -19.0446 0.0000 C 0 0 8.6571 -18.6255 0.0000 N 0 0 7.9541 -19.8696 0.0000 O 0 0 9.3754 -19.0315 0.0000 O 0 0 5.7994 -18.6518 0.0000 O 0 0 5.7918 -17.8268 0.0000 C 0 0 5.0736 -17.4209 0.0000 C 0 0 6.5024 -17.4078 0.0000 C 0 0 6.5297 -23.1903 0.0000 C 0 0 5.8144 -23.6016 0.0000 C 0 0 5.8131 -24.4266 0.0000 C 0 0 5.0965 -24.8342 0.0000 C 0 0 5.0947 -25.6584 0.0000 C 0 0 5.8090 -26.0729 0.0000 C 0 0 6.5266 -25.6572 0.0000 C 0 0 6.5247 -24.8343 0.0000 C 0 0 5.8095 -26.8942 0.0000 C 0 0 5.0932 -27.3058 0.0000 C 0 0 5.0926 -28.1300 0.0000 C 0 0 5.8074 -28.5436 0.0000 C 0 0 6.5244 -28.1269 0.0000 C 0 0 6.5215 -27.3040 0.0000 C 0 0 7 8 1 0 16 17 1 0 17 18 1 0 7 9 2 0 17 19 1 0 4 5 1 0 3 20 1 0 7 10 2 0 20 21 2 0 2 3 1 0 21 22 1 0 8 11 1 0 22 23 2 0 5 6 2 0 23 24 1 0 11 12 1 0 24 25 2 0 6 1 1 0 25 26 1 0 12 13 1 0 26 27 2 0 27 22 1 0 1 2 2 0 12 14 2 0 28 29 2 0 6 7 1 0 29 30 1 0 13 15 1 0 30 31 2 0 3 4 2 0 31 32 1 0 8 16 1 0 32 33 2 0 33 28 1 0 25 28 1 0 M END > 7.38721614328026 > 5.2518119729938 $$$$ 11280715082D 1 1.00000 0.00000 0 30 32 0 0 0 999 V2000 6.3750 -2.0167 0.0000 S 0 0 3 0 0 0 0 0 0 7.1917 -1.9875 0.0000 C 0 0 3 0 0 0 0 0 0 7.5792 -1.2542 0.0000 C 0 0 0 0 0 0 0 0 0 5.5500 -2.0500 0.0000 C 0 0 0 0 0 0 0 0 0 7.6375 -2.6792 0.0000 C 0 0 0 0 0 0 0 0 0 6.3417 -1.1917 0.0000 O 0 0 0 0 0 0 0 0 0 6.4042 -2.8417 0.0000 O 0 0 0 0 0 0 0 0 0 7.1417 -0.5542 0.0000 O 0 0 0 0 0 0 0 0 0 6.5000 -4.8667 0.0000 C 0 0 0 0 0 0 0 0 0 8.4125 -1.2167 0.0000 N 0 0 0 0 0 0 0 0 0 5.1042 -1.3500 0.0000 C 0 0 0 0 0 0 0 0 0 5.1667 -2.7792 0.0000 C 0 0 0 0 0 0 0 0 0 6.1167 -5.6000 0.0000 C 0 0 0 0 0 0 0 0 0 6.0542 -4.1750 0.0000 C 0 0 0 0 0 0 0 0 0 7.3292 -4.8292 0.0000 C 0 0 0 0 0 0 0 0 0 8.0167 -1.9875 0.0000 C 0 0 0 0 0 0 0 0 0 7.2542 -3.4125 0.0000 C 0 0 0 0 0 0 0 0 0 3.9000 -2.1167 0.0000 C 0 0 0 0 0 0 0 0 0 6.4375 -3.4417 0.0000 C 0 0 0 0 0 0 0 0 0 7.7042 -4.1042 0.0000 C 0 0 0 0 0 0 0 0 0 4.2792 -1.3875 0.0000 C 0 0 0 0 0 0 0 0 0 4.3417 -2.8125 0.0000 C 0 0 0 0 0 0 0 0 0 8.7917 -0.4917 0.0000 O 0 0 0 0 0 0 0 0 0 3.0667 -2.1500 0.0000 O 0 0 0 0 0 0 0 0 0 5.2917 -5.6292 0.0000 C 0 0 0 0 0 0 0 0 0 6.5667 -6.2917 0.0000 C 0 0 0 0 0 0 0 0 0 2.6292 -1.4542 0.0000 C 0 0 0 0 0 0 0 0 0 6.1875 -7.0250 0.0000 C 0 0 0 0 0 0 0 0 0 4.9167 -6.3667 0.0000 C 0 0 0 0 0 0 0 0 0 5.3625 -7.0625 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 1 1 0 0 0 5 2 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 3 2 0 0 0 9 15 1 0 0 0 10 3 1 0 0 0 11 4 2 0 0 0 12 4 1 0 0 0 13 9 1 0 0 0 14 19 1 0 0 0 15 20 2 0 0 0 16 2 1 0 0 0 17 5 1 0 0 0 18 22 1 0 0 0 19 17 2 0 0 0 20 17 1 0 0 0 21 11 1 0 0 0 22 12 2 0 0 0 23 10 1 0 0 0 24 18 1 0 0 0 25 13 2 0 0 0 26 13 1 0 0 0 27 24 1 0 0 0 28 26 2 0 0 0 29 25 1 0 0 0 30 28 1 0 0 0 18 21 2 0 0 0 9 14 2 0 0 0 30 29 2 0 0 0 M END > 8.09691001300806 > 6.80134291304558 $$$$ 11280714452D 1 1.00000 0.00000 0 33 34 0 0 0 999 V2000 3.6250 -4.8125 0.0000 S 0 0 3 0 0 0 0 0 0 3.6250 -5.6375 0.0000 N 0 0 0 0 0 0 0 0 0 2.9042 -6.0500 0.0000 C 0 0 3 0 0 0 0 0 0 2.1917 -5.6375 0.0000 C 0 0 0 0 0 0 0 0 0 4.3375 -4.4000 0.0000 C 0 0 0 0 0 0 0 0 0 3.6250 -7.2875 0.0000 C 0 0 0 0 0 0 0 0 0 4.3375 -7.6917 0.0000 C 0 0 0 0 0 0 0 0 0 3.4042 -4.0042 0.0000 O 0 0 0 0 0 0 0 0 0 2.8250 -5.0167 0.0000 O 0 0 0 0 0 0 0 0 0 5.7667 -3.5750 0.0000 C 0 0 0 0 0 0 0 0 0 6.4792 -3.1625 0.0000 C 0 0 0 0 0 0 0 0 0 2.1917 -4.8125 0.0000 O 0 0 0 0 0 0 0 0 0 4.3375 -3.5792 0.0000 C 0 0 0 0 0 0 0 0 0 5.0542 -4.8125 0.0000 C 0 0 0 0 0 0 0 0 0 5.7667 -4.4000 0.0000 C 0 0 0 0 0 0 0 0 0 5.0500 -3.1625 0.0000 C 0 0 0 0 0 0 0 0 0 7.1917 -3.5750 0.0000 C 0 0 0 0 0 0 0 0 0 6.4750 -2.3417 0.0000 C 0 0 0 0 0 0 0 0 0 2.9042 -6.8750 0.0000 C 0 0 0 0 0 0 0 0 0 1.4792 -6.0500 0.0000 O 0 0 0 0 0 0 0 0 0 6.4667 -8.1042 0.0000 C 0 0 0 0 0 0 0 0 0 7.9042 -2.3375 0.0000 C 0 0 0 0 0 0 0 0 0 7.1875 -1.9250 0.0000 C 0 0 0 0 0 0 0 0 0 7.9042 -3.1625 0.0000 C 0 0 0 0 0 0 0 0 0 5.0500 -8.1042 0.0000 C 0 0 0 0 0 0 0 0 0 5.7542 -7.6917 0.0000 O 0 0 0 0 0 0 0 0 0 7.1792 -7.6917 0.0000 O 0 0 0 0 0 0 0 0 0 8.6167 -1.9250 0.0000 O 0 0 0 0 0 0 0 0 0 9.3292 -8.1042 0.0000 O 0 0 0 0 0 0 0 0 0 7.9000 -8.1042 0.0000 C 0 0 0 0 0 0 0 0 0 8.6125 -7.6917 0.0000 C 0 0 0 0 0 0 0 0 0 9.3375 -2.3292 0.0000 C 0 0 0 0 0 0 0 0 0 10.0417 -7.6917 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 1 1 0 0 0 6 19 1 0 0 0 7 6 3 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 15 2 0 0 0 11 10 1 0 0 0 12 4 2 0 0 0 13 5 1 0 0 0 14 5 2 0 0 0 15 14 1 0 0 0 16 13 2 0 0 0 17 11 2 0 0 0 18 11 1 0 0 0 19 3 1 0 0 0 20 4 1 0 0 0 21 26 1 0 0 0 22 23 1 0 0 0 23 18 2 0 0 0 24 17 1 0 0 0 25 7 1 0 0 0 26 25 1 0 0 0 27 21 1 0 0 0 28 22 1 0 0 0 29 31 1 0 0 0 30 27 1 0 0 0 31 30 1 0 0 0 32 28 1 0 0 0 33 29 1 0 0 0 16 10 1 0 0 0 22 24 2 0 0 0 M END > 7.05551732784983 > 5.18641901143181 $$$$ 11280715002D 1 1.00000 0.00000 0 30 31 0 0 0 999 V2000 5.7000 -6.8792 0.0000 S 0 0 3 0 0 0 0 0 0 6.2167 -7.1750 0.0000 C 0 0 0 0 0 0 0 0 0 6.2167 -7.7792 0.0000 C 0 0 0 0 0 0 0 0 0 6.7292 -6.8750 0.0000 C 0 0 0 0 0 0 0 0 0 5.1750 -6.5750 0.0000 N 0 0 3 0 0 0 0 0 0 7.2625 -7.1667 0.0000 C 0 0 0 0 0 0 0 0 0 6.7417 -8.0792 0.0000 C 0 0 0 0 0 0 0 0 0 7.2625 -7.7792 0.0000 C 0 0 0 0 0 0 0 0 0 7.2625 -4.7625 0.0000 N 0 3 0 0 0 0 0 0 0 4.6542 -6.8792 0.0000 C 0 0 0 0 0 0 0 0 0 4.1292 -6.5750 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -7.3917 0.0000 O 0 0 0 0 0 0 0 0 0 6.0042 -6.3542 0.0000 O 0 0 0 0 0 0 0 0 0 6.7500 -5.0667 0.0000 C 0 0 0 0 0 0 0 0 0 7.7917 -5.0667 0.0000 O 0 5 0 0 0 0 0 0 0 5.1750 -5.9667 0.0000 C 0 0 0 0 0 0 0 0 0 7.2625 -4.1542 0.0000 O 0 0 0 0 0 0 0 0 0 5.6917 -8.0792 0.0000 F 0 0 0 0 0 0 0 0 0 6.7292 -6.2667 0.0000 F 0 0 0 0 0 0 0 0 0 3.6042 -6.8792 0.0000 O 0 0 0 0 0 0 0 0 0 7.7875 -6.8667 0.0000 F 0 0 0 0 0 0 0 0 0 6.7417 -8.6875 0.0000 F 0 0 0 0 0 0 0 0 0 7.7875 -8.0792 0.0000 F 0 0 0 0 0 0 0 0 0 4.1292 -5.9667 0.0000 N 0 0 0 0 0 0 0 0 0 6.7500 -5.6667 0.0000 C 0 0 0 0 0 0 0 0 0 6.2167 -4.7625 0.0000 C 0 0 0 0 0 0 0 0 0 5.7000 -5.6667 0.0000 C 0 0 0 0 0 0 0 0 0 6.2167 -5.9667 0.0000 C 0 0 0 0 0 0 0 0 0 5.7000 -5.0667 0.0000 C 0 0 0 0 0 0 0 0 0 3.6042 -5.6667 0.0000 O 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 2 0 0 0 4 2 1 0 0 0 5 1 1 0 0 0 6 4 2 0 0 0 7 3 1 0 0 0 8 6 1 0 0 0 9 14 1 0 0 0 10 5 1 0 0 0 11 10 1 0 0 0 12 1 2 0 0 0 13 1 2 0 0 0 14 26 1 0 0 0 15 9 1 0 0 0 16 5 1 0 0 0 17 9 2 0 0 0 18 3 1 0 0 0 19 4 1 0 0 0 20 11 2 0 0 0 21 6 1 0 0 0 22 7 1 0 0 0 23 8 1 0 0 0 24 11 1 0 0 0 25 28 1 0 0 0 26 29 2 0 0 0 27 16 1 0 0 0 28 27 2 0 0 0 29 27 1 0 0 0 30 24 1 0 0 0 7 8 2 0 0 0 25 14 2 0 0 0 M CHG 2 9 1 15 -1 M END > 8.30102999566398 > 8.52287874528034 $$$$ 11280714532D 1 1.00000 0.00000 0 37 40 0 0 0 999 V2000 4.9667 1.7208 0.0000 S 0 0 3 0 0 0 0 0 0 4.2542 1.2958 0.0000 N 0 0 3 0 0 0 0 0 0 4.2625 0.4708 0.0000 C 0 0 0 0 0 0 0 0 0 3.5500 0.0583 0.0000 C 0 0 0 0 0 0 0 0 0 4.9792 0.0583 0.0000 C 0 0 0 0 0 0 0 0 0 4.9792 -0.7667 0.0000 C 0 0 0 0 0 0 0 0 0 4.2625 -1.1792 0.0000 N 0 0 0 0 0 0 0 0 0 2.8375 0.4708 0.0000 C 0 0 0 0 0 0 0 0 0 3.5500 -0.7667 0.0000 C 0 0 0 0 0 0 0 0 0 5.6917 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 5.6792 2.1208 0.0000 C 0 0 0 0 0 0 0 0 0 5.3750 1.0083 0.0000 O 0 0 0 0 0 0 0 0 0 4.5500 2.4333 0.0000 O 0 0 0 0 0 0 0 0 0 3.5375 1.7083 0.0000 C 0 0 0 0 0 0 0 0 0 5.6917 -2.0042 0.0000 C 0 0 3 0 0 0 0 0 0 2.8375 1.2958 0.0000 O 0 0 0 0 0 0 0 0 0 2.1167 0.0583 0.0000 N 0 0 0 0 0 0 0 0 0 5.6917 2.9458 0.0000 C 0 0 0 0 0 0 0 0 0 6.3917 1.6958 0.0000 C 0 0 0 0 0 0 0 0 0 5.6875 0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 7.1167 2.9250 0.0000 C 0 0 0 0 0 0 0 0 0 3.5292 2.5333 0.0000 C 0 0 0 0 0 0 0 0 0 7.1125 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 6.4042 3.3458 0.0000 C 0 0 0 0 0 0 0 0 0 1.4042 0.4708 0.0000 O 0 0 0 0 0 0 0 0 0 6.4042 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 7.8417 3.3333 0.0000 O 0 0 0 0 0 0 0 0 0 6.4042 0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 4.8667 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 6.5167 -2.0042 0.0000 C 0 0 0 0 0 0 0 0 0 5.6917 -2.8292 0.0000 C 0 0 0 0 0 0 0 0 0 2.8167 2.9333 0.0000 C 0 0 0 0 0 0 0 0 0 4.2417 2.9458 0.0000 C 0 0 0 0 0 0 0 0 0 8.5500 2.9125 0.0000 C 0 0 0 0 0 0 0 0 0 4.2417 3.7708 0.0000 C 0 0 0 0 0 0 0 0 0 2.8042 3.7583 0.0000 C 0 0 0 0 0 0 0 0 0 3.5167 4.1667 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 3 2 0 0 0 6 5 1 0 0 0 7 6 2 0 0 0 8 4 1 0 0 0 9 4 2 0 0 0 10 6 1 0 0 0 11 1 1 0 0 0 12 1 2 0 0 0 13 1 2 0 0 0 14 2 1 0 0 0 15 10 1 0 0 0 16 8 2 0 0 0 17 8 1 0 0 0 18 11 1 0 0 0 19 11 2 0 0 0 20 5 1 0 0 0 21 23 2 0 0 0 22 14 1 0 0 0 23 19 1 0 0 0 24 18 2 0 0 0 25 17 1 0 0 0 26 28 1 0 0 0 27 21 1 0 0 0 28 20 2 0 0 0 29 15 1 0 0 0 30 15 1 0 0 0 31 15 1 0 0 0 32 22 1 0 0 0 33 22 2 0 0 0 34 27 1 0 0 0 35 33 1 0 0 0 36 32 2 0 0 0 37 35 2 0 0 0 21 24 1 0 0 0 7 9 1 0 0 0 37 36 1 0 0 0 26 10 2 0 0 0 M END > 7.79588001734407 > 5.50863830616573 $$$$ 11280715442D 1 1.00000 0.00000 0 30 32 0 1 0 999 V2000 -0.9583 0.8833 0.0000 S 0 0 3 0 0 0 0 0 0 -0.9458 1.7000 0.0000 C 0 0 1 0 0 0 0 0 0 -0.2333 2.1083 0.0000 C 0 0 2 0 0 0 0 0 0 0.4792 1.6875 0.0000 C 0 0 0 0 0 0 0 0 0 -0.9583 0.0583 0.0000 C 0 0 0 0 0 0 0 0 0 1.1917 -2.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0.4792 -2.4167 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7833 0.8833 0.0000 O 0 0 0 0 0 0 0 0 0 -0.1333 0.8833 0.0000 O 0 0 0 0 0 0 0 0 0 1.9042 -2.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0.4667 0.8708 0.0000 O 0 0 0 0 0 0 0 0 0 1.1917 2.0875 0.0000 N 0 0 0 0 0 0 0 0 0 0.3542 2.7083 0.0000 O 0 0 0 0 0 0 0 0 0 -1.6625 2.1208 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2333 -2.8292 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2208 2.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0.4667 -1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 -0.9333 3.3583 0.0000 O 0 0 0 0 0 0 0 0 0 -0.2333 -0.3542 0.0000 C 0 0 0 0 0 0 0 0 0 -1.6708 -0.3542 0.0000 C 0 0 0 0 0 0 0 0 0 -0.9583 -2.4167 0.0000 O 0 0 0 0 0 0 0 0 0 1.9042 -1.5917 0.0000 C 0 0 0 0 0 0 0 0 0 1.1917 -3.6542 0.0000 Cl 0 0 0 0 0 0 0 0 0 -0.9583 -1.5917 0.0000 C 0 0 0 0 0 0 0 0 0 1.1792 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 -1.6708 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2333 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 2.6167 -1.1792 0.0000 Cl 0 0 0 0 0 0 0 0 0 1.9042 1.6833 0.0000 O 0 0 0 0 0 0 0 0 0 -1.6583 2.9458 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 6 0 0 3 2 1 0 0 0 3 4 1 6 0 0 5 1 1 0 0 0 6 7 2 0 0 0 7 15 1 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 6 1 0 0 0 11 4 2 0 0 0 12 4 1 0 0 0 3 13 1 1 0 0 14 2 1 0 0 0 15 21 1 0 0 0 16 3 1 0 0 0 17 7 1 0 0 0 18 30 1 0 0 0 19 5 2 0 0 0 20 5 1 0 0 0 21 24 1 0 0 0 22 25 1 0 0 0 23 6 1 0 0 0 24 26 1 0 0 0 25 17 2 0 0 0 26 20 2 0 0 0 27 19 1 0 0 0 28 22 1 0 0 0 29 12 1 0 0 0 30 14 1 0 0 0 27 24 2 0 0 0 16 18 1 0 0 0 10 22 2 0 0 0 M END > 9.02227639471115 > 6.03621217265444 $$$$ 11280715192D 1 1.00000 0.00000 0 30 32 0 1 0 999 V2000 6.3917 -4.2542 0.0000 S 0 0 3 0 0 0 0 0 0 -1.8333 -2.7875 0.0000 N 0 3 0 0 0 0 0 0 0 1.8667 -2.0917 0.0000 N 0 0 0 0 0 0 0 0 0 3.1042 -2.8125 0.0000 C 0 0 0 0 0 0 0 0 0 3.9292 -2.8167 0.0000 N 0 0 0 0 0 0 0 0 0 2.6917 -2.0917 0.0000 N 0 0 0 0 0 0 0 0 0 5.5667 -4.2542 0.0000 N 0 0 0 0 0 0 0 0 0 4.3375 -3.5292 0.0000 C 0 0 0 0 0 0 0 0 0 5.1625 -3.5375 0.0000 C 0 0 2 0 0 0 0 0 0 1.4542 -2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 2.6792 -3.5250 0.0000 S 0 0 0 0 0 0 0 0 0 -1.0083 -2.7917 0.0000 C 0 0 0 0 0 0 0 0 0 7.2167 -4.2542 0.0000 O 0 0 0 0 0 0 0 0 0 6.3917 -3.4292 0.0000 O 0 0 0 0 0 0 0 0 0 6.8042 -4.9750 0.0000 C 0 0 0 0 0 0 0 0 0 -2.2458 -2.0667 0.0000 O 0 5 0 0 0 0 0 0 0 0.6292 -2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 -2.2500 -3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 1.8625 -3.5167 0.0000 C 0 0 0 0 0 0 0 0 0 3.9167 -4.2417 0.0000 O 0 0 0 0 0 0 0 0 0 -0.6000 -3.5042 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5958 -2.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0.2167 -2.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0.2167 -3.5042 0.0000 C 0 0 0 0 0 0 0 0 0 5.5792 -2.8250 0.0000 C 0 0 0 0 0 0 0 0 0 7.6250 -4.9750 0.0000 C 0 0 0 0 0 0 0 0 0 6.3792 -5.6792 0.0000 C 0 0 0 0 0 0 0 0 0 6.7917 -6.4000 0.0000 C 0 0 0 0 0 0 0 0 0 8.0292 -5.6875 0.0000 C 0 0 0 0 0 0 0 0 0 7.6167 -6.4042 0.0000 C 0 0 0 0 0 0 0 0 0 2 12 1 0 0 0 3 6 1 0 0 0 4 5 1 0 0 0 5 8 1 0 0 0 6 4 2 0 0 0 7 1 1 0 0 0 8 9 1 0 0 0 9 7 1 0 0 0 10 19 1 0 0 0 11 4 1 0 0 0 12 21 2 0 0 0 13 1 2 0 0 0 14 1 2 0 0 0 15 1 1 0 0 0 16 2 1 0 0 0 17 10 1 0 0 0 18 2 2 0 0 0 19 11 1 0 0 0 20 8 2 0 0 0 21 24 1 0 0 0 22 23 2 0 0 0 23 17 1 0 0 0 24 17 2 0 0 0 9 25 1 6 0 0 26 15 1 0 0 0 27 15 2 0 0 0 28 27 1 0 0 0 29 26 2 0 0 0 30 28 2 0 0 0 29 30 1 0 0 0 3 10 2 0 0 0 22 12 1 0 0 0 M CHG 2 2 1 16 -1 M END > 6.58502665202918 > 6.58502665202918 $$$$ 11280714562D 1 1.00000 0.00000 0 25 26 0 1 0 999 V2000 2.7125 -1.1250 0.0000 S 0 0 3 0 0 0 0 0 0 3.3125 -1.1250 0.0000 N 0 0 0 0 0 0 0 0 0 3.6042 -0.6042 0.0000 C 0 0 2 0 0 0 0 0 0 4.2042 -0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 2.1125 -1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 2.7042 -0.5250 0.0000 O 0 0 0 0 0 0 0 0 0 2.7042 -1.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0.9167 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0.3167 -1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 4.5125 -1.1167 0.0000 O 0 0 0 0 0 0 0 0 0 1.8000 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 1.8167 -1.6625 0.0000 C 0 0 0 0 0 0 0 0 0 3.3042 -0.0792 0.0000 C 0 0 3 0 0 0 0 0 0 1.2167 -1.6667 0.0000 C 0 0 0 0 0 0 0 0 0 1.2042 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0.0250 -1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0.0042 -0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 4.5042 -0.0792 0.0000 O 0 0 0 0 0 0 0 0 0 -0.8833 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5958 -0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5750 -1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 -1.4833 -1.1792 0.0000 O 0 0 0 0 0 0 0 0 0 2.7875 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 3.6042 0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7833 -0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 1 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 14 2 0 0 0 9 8 1 0 0 0 10 4 2 0 0 0 11 5 1 0 0 0 12 5 2 0 0 0 3 13 1 1 0 0 14 12 1 0 0 0 15 11 2 0 0 0 16 9 2 0 0 0 17 9 1 0 0 0 18 4 1 0 0 0 19 20 1 0 0 0 20 17 2 0 0 0 21 16 1 0 0 0 22 19 1 0 0 0 23 13 1 0 0 0 24 13 1 0 0 0 25 22 1 0 0 0 8 15 1 0 0 0 21 19 2 0 0 0 M END > 8.22184874961636 > 5.82390874094432 $$$$ 11280715162D 1 1.00000 0.00000 0 42 45 0 0 0 999 V2000 3.6250 -1.5167 0.0000 S 0 0 3 0 0 0 0 0 0 1.4792 -1.1125 0.0000 C 0 0 0 0 0 0 0 0 0 2.9042 -1.1042 0.0000 N 0 0 3 0 0 0 0 0 0 2.1917 -1.5250 0.0000 C 0 0 0 0 0 0 0 0 0 2.1917 -2.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0.7667 -1.5250 0.0000 C 0 0 0 0 0 0 0 0 0 1.4750 -0.2875 0.0000 C 0 0 0 0 0 0 0 0 0 -2.8208 -3.5542 0.0000 C 0 0 3 0 0 0 0 0 0 0.7667 -2.3542 0.0000 C 0 0 0 0 0 0 0 0 0 4.3375 -1.9292 0.0000 C 0 0 0 0 0 0 0 0 0 1.4792 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 2.9125 -3.5917 0.0000 N 0 0 3 0 0 0 0 0 0 4.3375 -1.1042 0.0000 O 0 0 0 0 0 0 0 0 0 3.6250 -2.3417 0.0000 O 0 0 0 0 0 0 0 0 0 2.9125 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 2.9167 -5.2375 0.0000 N 0 0 3 0 0 0 0 0 0 0.0500 -2.7625 0.0000 C 0 0 0 0 0 0 0 0 0 -2.1083 -3.9792 0.0000 O 0 0 0 0 0 0 0 0 0 2.1917 0.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0.7625 0.1208 0.0000 N 0 0 0 0 0 0 0 0 0 4.3292 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 5.0417 -1.5167 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6625 -2.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0.0417 -3.5792 0.0000 C 0 0 0 0 0 0 0 0 0 -3.4708 -3.1750 0.0000 F 0 0 0 0 0 0 0 0 0 -2.9500 -2.7042 0.0000 F 0 0 0 0 0 0 0 0 0 -3.6250 -3.8542 0.0000 F 0 0 0 0 0 0 0 0 0 2.1917 -4.0042 0.0000 C 0 0 0 0 0 0 0 0 0 3.6250 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 3.6292 -4.8167 0.0000 C 0 0 0 0 0 0 0 0 0 2.1917 -4.8250 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3875 -3.5667 0.0000 C 0 0 0 0 0 0 0 0 0 2.9042 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 5.7542 -2.7417 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3833 -2.7417 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6708 -3.9875 0.0000 C 0 0 0 0 0 0 0 0 0 5.7542 -1.9167 0.0000 C 0 0 0 0 0 0 0 0 0 5.0417 -3.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0.7542 0.9458 0.0000 O 0 0 0 0 0 0 0 0 0 6.4667 -3.1542 0.0000 O 0 0 0 0 0 0 0 0 0 2.9167 -6.0625 0.0000 C 0 0 0 0 0 0 0 0 0 7.1792 -2.7375 0.0000 C 0 0 0 0 0 0 0 0 0 2 4 2 0 0 0 3 1 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 6 2 1 0 0 0 7 2 1 0 0 0 8 18 1 0 0 0 9 11 1 0 0 0 10 1 1 0 0 0 11 5 2 0 0 0 12 15 1 0 0 0 13 1 2 0 0 0 14 1 2 0 0 0 15 5 1 0 0 0 16 30 1 0 0 0 17 9 1 0 0 0 18 32 1 0 0 0 19 7 2 0 0 0 20 7 1 0 0 0 21 10 2 0 0 0 22 10 1 0 0 0 23 17 2 0 0 0 24 17 1 0 0 0 25 8 1 0 0 0 26 8 1 0 0 0 27 8 1 0 0 0 28 12 1 0 0 0 29 12 1 0 0 0 30 29 1 0 0 0 31 28 1 0 0 0 32 36 1 0 0 0 33 3 1 0 0 0 34 37 1 0 0 0 35 23 1 0 0 0 36 24 2 0 0 0 37 22 2 0 0 0 38 21 1 0 0 0 39 20 1 0 0 0 40 34 1 0 0 0 41 16 1 0 0 0 42 40 1 0 0 0 34 38 2 0 0 0 9 6 2 0 0 0 16 31 1 0 0 0 32 35 2 0 0 0 M END > 8.39794000867204 > 6.12784372725171 $$$$ 11280715332D 1 1.00000 0.00000 0 24 25 0 1 0 999 V2000 5.6542 -3.8125 0.0000 S 0 0 3 0 0 0 0 0 0 5.9417 -4.5917 0.0000 N 0 0 3 0 0 0 0 0 0 5.4167 -5.2250 0.0000 C 0 0 1 0 0 0 0 0 0 4.5917 -5.1792 0.0000 C 0 0 0 0 0 0 0 0 0 6.4375 -3.5250 0.0000 C 0 0 0 0 0 0 0 0 0 6.7042 -4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 6.6500 -5.7250 0.0000 C 0 0 0 0 0 0 0 0 0 5.3667 -3.0292 0.0000 O 0 0 0 0 0 0 0 0 0 4.8792 -4.1000 0.0000 O 0 0 0 0 0 0 0 0 0 5.8542 -5.9167 0.0000 C 0 0 0 0 0 0 0 0 0 4.2167 -4.4417 0.0000 O 0 0 0 0 0 0 0 0 0 4.1375 -5.8750 0.0000 N 0 0 0 0 0 0 0 0 0 7.2750 -6.2625 0.0000 C 0 0 0 0 0 0 0 0 0 7.0667 -4.0500 0.0000 C 0 0 0 0 0 0 0 0 0 6.5792 -2.7125 0.0000 C 0 0 0 0 0 0 0 0 0 7.9792 -2.9542 0.0000 C 0 0 0 0 0 0 0 0 0 7.3500 -2.4292 0.0000 C 0 0 0 0 0 0 0 0 0 7.8375 -3.7667 0.0000 C 0 0 0 0 0 0 0 0 0 3.3125 -5.8292 0.0000 O 0 0 0 0 0 0 0 0 0 8.7667 -2.6750 0.0000 O 0 0 0 0 0 0 0 0 0 10.8042 -3.4625 0.0000 O 0 0 0 0 0 0 0 0 0 9.4000 -3.2042 0.0000 C 0 0 0 0 0 0 0 0 0 10.1750 -2.9292 0.0000 C 0 0 0 0 0 0 0 0 0 11.5750 -3.1875 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 1 1 0 0 0 6 2 1 0 0 0 7 6 1 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 3 10 1 6 0 0 11 4 2 0 0 0 12 4 1 0 0 0 13 7 2 0 0 0 14 5 2 0 0 0 15 5 1 0 0 0 16 17 1 0 0 0 17 15 2 0 0 0 18 14 1 0 0 0 19 12 1 0 0 0 20 16 1 0 0 0 21 23 1 0 0 0 22 20 1 0 0 0 23 22 1 0 0 0 24 21 1 0 0 0 16 18 2 0 0 0 7 10 1 0 0 0 M END > 7.95860731484177 > 5.81022904365313 $$$$ 11280715082D 1 1.00000 0.00000 0 26 27 0 0 0 999 V2000 13.2875 -0.6625 0.0000 C 0 0 3 0 0 0 0 0 0 12.5750 -1.0792 0.0000 S 0 0 3 0 0 0 0 0 0 14.0042 -1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 12.5792 -0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 14.0000 -0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 11.8542 -0.6667 0.0000 C 0 0 0 0 0 0 0 0 0 13.1542 -1.6625 0.0000 O 0 0 0 0 0 0 0 0 0 11.9875 -1.6625 0.0000 O 0 0 0 0 0 0 0 0 0 13.2875 0.9875 0.0000 N 0 0 3 0 0 0 0 0 0 14.0167 -1.8875 0.0000 O 0 0 0 0 0 0 0 0 0 14.7167 -0.6417 0.0000 N 0 0 0 0 0 0 0 0 0 12.5792 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 14.0000 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 11.1417 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 11.8542 0.1625 0.0000 C 0 0 0 0 0 0 0 0 0 10.4292 0.1625 0.0000 C 0 0 0 0 0 0 0 0 0 10.4292 -0.6667 0.0000 C 0 0 0 0 0 0 0 0 0 11.1417 0.5750 0.0000 C 0 0 0 0 0 0 0 0 0 15.4375 -1.0417 0.0000 O 0 0 0 0 0 0 0 0 0 9.7125 0.5750 0.0000 O 0 0 0 0 0 0 0 0 0 13.2875 1.8125 0.0000 C 0 0 0 0 0 0 0 0 0 9.0000 0.1625 0.0000 C 0 0 0 0 0 0 0 0 0 8.2875 0.5750 0.0000 C 0 0 0 0 0 0 0 0 0 12.5750 2.2250 0.0000 C 0 0 0 0 0 0 0 0 0 7.5667 0.1625 0.0000 C 0 0 0 0 0 0 0 0 0 6.8542 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 1 1 0 0 0 5 1 1 0 0 0 6 2 1 0 0 0 7 2 2 0 0 0 8 2 2 0 0 0 9 13 1 0 0 0 10 3 2 0 0 0 11 3 1 0 0 0 12 4 1 0 0 0 13 5 1 0 0 0 14 6 2 0 0 0 15 6 1 0 0 0 16 18 1 0 0 0 17 14 1 0 0 0 18 15 2 0 0 0 19 11 1 0 0 0 20 16 1 0 0 0 21 9 1 0 0 0 22 20 1 0 0 0 23 22 1 0 0 0 24 21 1 0 0 0 25 23 1 0 0 0 26 25 1 0 0 0 12 9 1 0 0 0 16 17 2 0 0 0 M END > 8.69897000433602 > 5.1511952989482 $$$$ 11280715002D 1 1.00000 0.00000 0 33 34 0 0 0 999 V2000 5.3000 -6.1667 0.0000 S 0 0 3 0 0 0 0 0 0 4.7750 -5.8667 0.0000 N 0 0 3 0 0 0 0 0 0 6.8667 -4.0542 0.0000 N 0 3 0 0 0 0 0 0 0 4.2542 -6.1667 0.0000 C 0 0 0 0 0 0 0 0 0 7.3917 -7.9792 0.0000 C 0 0 0 0 0 0 0 0 0 3.7292 -5.8667 0.0000 C 0 0 0 0 0 0 0 0 0 5.8167 -6.4667 0.0000 C 0 0 0 0 0 0 0 0 0 5.0000 -6.6792 0.0000 O 0 0 0 0 0 0 0 0 0 5.6042 -5.6500 0.0000 O 0 0 0 0 0 0 0 0 0 6.3500 -4.3542 0.0000 C 0 0 0 0 0 0 0 0 0 7.3917 -7.3750 0.0000 N 0 0 0 0 0 0 0 0 0 7.3917 -4.3542 0.0000 O 0 5 0 0 0 0 0 0 0 4.7750 -5.2625 0.0000 C 0 0 0 0 0 0 0 0 0 6.8667 -3.4500 0.0000 O 0 0 0 0 0 0 0 0 0 7.9042 -8.2792 0.0000 O 0 0 0 0 0 0 0 0 0 6.8667 -8.2792 0.0000 O 0 0 0 0 0 0 0 0 0 3.2125 -6.1667 0.0000 O 0 0 0 0 0 0 0 0 0 3.7292 -5.2625 0.0000 N 0 0 0 0 0 0 0 0 0 7.9167 -8.8792 0.0000 C 0 0 3 0 0 0 0 0 0 6.3375 -6.1667 0.0000 C 0 0 0 0 0 0 0 0 0 5.8167 -7.0667 0.0000 C 0 0 0 0 0 0 0 0 0 5.8167 -4.0542 0.0000 C 0 0 0 0 0 0 0 0 0 6.3500 -4.9625 0.0000 C 0 0 0 0 0 0 0 0 0 6.8667 -7.0667 0.0000 C 0 0 0 0 0 0 0 0 0 5.3000 -4.9625 0.0000 C 0 0 0 0 0 0 0 0 0 6.3417 -7.3750 0.0000 C 0 0 0 0 0 0 0 0 0 6.8667 -6.4542 0.0000 C 0 0 0 0 0 0 0 0 0 5.8167 -5.2625 0.0000 C 0 0 0 0 0 0 0 0 0 5.3000 -4.3542 0.0000 C 0 0 0 0 0 0 0 0 0 3.2125 -4.9625 0.0000 O 0 0 0 0 0 0 0 0 0 8.4375 -9.1792 0.0000 C 0 0 0 0 0 0 0 0 0 7.3917 -9.1875 0.0000 C 0 0 0 0 0 0 0 0 0 7.9042 -9.4875 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 10 1 0 0 0 4 2 1 0 0 0 5 11 1 0 0 0 6 4 1 0 0 0 7 1 1 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 22 1 0 0 0 11 24 1 0 0 0 12 3 1 0 0 0 13 2 1 0 0 0 14 3 2 0 0 0 15 5 1 0 0 0 16 5 2 0 0 0 17 6 2 0 0 0 18 6 1 0 0 0 19 15 1 0 0 0 20 7 1 0 0 0 21 7 2 0 0 0 22 29 2 0 0 0 23 28 1 0 0 0 24 26 2 0 0 0 25 13 1 0 0 0 26 21 1 0 0 0 27 20 2 0 0 0 28 25 2 0 0 0 29 25 1 0 0 0 30 18 1 0 0 0 31 19 1 0 0 0 32 19 1 0 0 0 33 19 1 0 0 0 27 24 1 0 0 0 23 10 2 0 0 0 M CHG 2 3 1 12 -1 M END > 8.04575749056067 > 8.04575749056067 $$$$ 11280714472D 1 1.00000 0.00000 0 34 36 0 0 0 999 V2000 -0.4083 -2.0750 0.0000 S 0 0 3 0 0 0 0 0 0 -1.1208 -3.3125 0.0000 C 0 0 0 0 0 0 0 0 0 -1.8333 -3.7250 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1208 -2.4875 0.0000 N 0 0 3 0 0 0 0 0 0 -0.4083 -3.7250 0.0000 C 0 0 0 0 0 0 0 0 0 -2.5583 -3.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0.3167 -1.6542 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8208 -1.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0.0125 -2.7917 0.0000 O 0 0 0 0 0 0 0 0 0 -1.8333 -4.5542 0.0000 C 0 0 0 0 0 0 0 0 0 3.1750 0.8333 0.0000 C 0 0 0 0 0 0 0 0 0 3.8917 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 2.0667 -3.7250 0.0000 N 0 0 3 0 0 0 0 0 0 -0.4083 -4.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0.4167 -3.7250 0.0000 C 0 0 3 0 0 0 0 0 0 -1.1208 -4.9667 0.0000 C 0 0 0 0 0 0 0 0 0 -2.5500 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 -3.2708 -3.7167 0.0000 N 0 0 0 0 0 0 0 0 0 1.0292 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0.3167 -0.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0.8292 -4.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0.8292 -3.0125 0.0000 C 0 0 0 0 0 0 0 0 0 1.6625 -3.0125 0.0000 C 0 0 0 0 0 0 0 0 0 1.6625 -4.4417 0.0000 C 0 0 0 0 0 0 0 0 0 -1.8333 -2.0750 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1208 -5.7917 0.0000 Br 0 0 0 0 0 0 0 0 0 1.7417 -0.8292 0.0000 C 0 0 0 0 0 0 0 0 0 1.0292 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 1.7417 -1.6542 0.0000 C 0 0 0 0 0 0 0 0 0 -3.9833 -3.3042 0.0000 O 0 0 0 0 0 0 0 0 0 2.4625 0.4208 0.0000 C 0 0 0 0 0 0 0 0 0 2.4667 -0.4042 0.0000 O 0 0 0 0 0 0 0 0 0 2.9000 -3.7250 0.0000 C 0 0 0 0 0 0 0 0 0 4.6167 1.6708 0.0000 C 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 3 2 1 0 0 0 4 1 1 0 0 0 5 2 2 0 0 0 6 3 1 0 0 0 7 1 1 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 3 2 0 0 0 11 31 1 0 0 0 12 11 3 0 0 0 13 23 1 0 0 0 14 5 1 0 0 0 15 5 1 0 0 0 16 14 2 0 0 0 17 6 2 0 0 0 18 6 1 0 0 0 19 7 2 0 0 0 20 7 1 0 0 0 21 15 1 0 0 0 22 15 1 0 0 0 23 22 1 0 0 0 24 21 1 0 0 0 25 4 1 0 0 0 26 16 1 0 0 0 27 28 1 0 0 0 28 20 2 0 0 0 29 19 1 0 0 0 30 18 1 0 0 0 31 32 1 0 0 0 32 27 1 0 0 0 33 13 1 0 0 0 34 12 1 0 0 0 29 27 2 0 0 0 10 16 1 0 0 0 13 24 1 0 0 0 M END > 6.59859945921846 > 5.78041547378575 $$$$ 11280714592D 1 1.00000 0.00000 0 25 26 0 0 0 999 V2000 5.7042 -7.2250 0.0000 S 0 0 3 0 0 0 0 0 0 5.1792 -6.9250 0.0000 N 0 0 3 0 0 0 0 0 0 7.2667 -5.1125 0.0000 N 0 3 0 0 0 0 0 0 0 4.6542 -7.2250 0.0000 C 0 0 0 0 0 0 0 0 0 4.1292 -6.9250 0.0000 C 0 0 0 0 0 0 0 0 0 5.4000 -7.7500 0.0000 O 0 0 0 0 0 0 0 0 0 6.0125 -6.7042 0.0000 O 0 0 0 0 0 0 0 0 0 6.7500 -5.4125 0.0000 C 0 0 0 0 0 0 0 0 0 6.2292 -7.5292 0.0000 C 0 0 0 0 0 0 0 0 0 7.7917 -5.4125 0.0000 O 0 5 0 0 0 0 0 0 0 5.1792 -6.3167 0.0000 C 0 0 0 0 0 0 0 0 0 7.2667 -4.5042 0.0000 O 0 0 0 0 0 0 0 0 0 3.6125 -7.2250 0.0000 O 0 0 0 0 0 0 0 0 0 4.1292 -6.3167 0.0000 N 0 0 0 0 0 0 0 0 0 6.7500 -6.0167 0.0000 C 0 0 0 0 0 0 0 0 0 6.2167 -5.1125 0.0000 C 0 0 0 0 0 0 0 0 0 5.7042 -6.0167 0.0000 C 0 0 0 0 0 0 0 0 0 6.2292 -6.3167 0.0000 C 0 0 0 0 0 0 0 0 0 5.7042 -5.4125 0.0000 C 0 0 0 0 0 0 0 0 0 3.6125 -6.0167 0.0000 O 0 0 0 0 0 0 0 0 0 6.2167 -8.1292 0.0000 C 0 0 0 0 0 0 0 0 0 6.7417 -7.2250 0.0000 C 0 0 0 0 0 0 0 0 0 7.2625 -7.5250 0.0000 C 0 0 0 0 0 0 0 0 0 6.7500 -8.4292 0.0000 C 0 0 0 0 0 0 0 0 0 7.2667 -8.1292 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 8 1 0 0 0 4 2 1 0 0 0 5 4 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 16 1 0 0 0 9 1 1 0 0 0 10 3 1 0 0 0 11 2 1 0 0 0 12 3 2 0 0 0 13 5 2 0 0 0 14 5 1 0 0 0 15 18 1 0 0 0 16 19 2 0 0 0 17 11 1 0 0 0 18 17 2 0 0 0 19 17 1 0 0 0 20 14 1 0 0 0 21 9 2 0 0 0 22 9 1 0 0 0 23 22 2 0 0 0 24 21 1 0 0 0 25 23 1 0 0 0 24 25 2 0 0 0 15 8 2 0 0 0 M CHG 2 3 1 10 -1 M END > 7.29242982390206 > 7.67778070526608 $$$$ 11280715082D 1 1.00000 0.00000 0 28 30 0 0 0 999 V2000 -0.1708 -0.6417 0.0000 C 0 0 3 0 0 0 0 0 0 -0.8833 -1.0542 0.0000 S 0 0 3 0 0 0 0 0 0 0.5542 -1.0417 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8750 -0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0.5417 -0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5958 -0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1708 1.0083 0.0000 N 0 0 3 0 0 0 0 0 0 -0.2958 -1.6417 0.0000 O 0 0 0 0 0 0 0 0 0 -1.4708 -1.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0.5667 -1.8667 0.0000 O 0 0 0 0 0 0 0 0 0 1.2625 -0.6167 0.0000 N 0 0 0 0 0 0 0 0 0 -0.8750 0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0.5417 0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 -2.3125 -1.0542 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5958 0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1708 1.8333 0.0000 C 0 0 0 0 0 0 0 0 0 -3.0250 0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 -2.3125 0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 -3.0250 -0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 1.9792 -1.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0.5500 2.2458 0.0000 C 0 0 0 0 0 0 0 0 0 -3.7458 0.5958 0.0000 O 0 0 0 0 0 0 0 0 0 1.2667 1.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0.5500 3.0708 0.0000 C 0 0 0 0 0 0 0 0 0 -4.4583 0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 1.2625 3.4833 0.0000 C 0 0 0 0 0 0 0 0 0 1.9792 2.2458 0.0000 C 0 0 0 0 0 0 0 0 0 1.9792 3.0708 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 1 1 0 0 0 5 1 1 0 0 0 6 2 1 0 0 0 7 13 1 0 0 0 8 2 2 0 0 0 9 2 2 0 0 0 10 3 2 0 0 0 11 3 1 0 0 0 12 4 1 0 0 0 13 5 1 0 0 0 14 6 2 0 0 0 15 6 1 0 0 0 16 7 1 0 0 0 17 18 1 0 0 0 18 15 2 0 0 0 19 14 1 0 0 0 20 11 1 0 0 0 21 16 1 0 0 0 22 17 1 0 0 0 23 21 2 0 0 0 24 21 1 0 0 0 25 22 1 0 0 0 26 24 2 0 0 0 27 23 1 0 0 0 28 26 1 0 0 0 12 7 1 0 0 0 17 19 2 0 0 0 27 28 2 0 0 0 M END > 8.69897000433602 > 6.30803489723264 $$$$ 11280715082D 1 1.00000 0.00000 0 29 31 0 0 0 999 V2000 13.8750 -12.8542 0.0000 C 0 0 3 0 0 0 0 0 0 13.1625 -13.2750 0.0000 S 0 0 3 0 0 0 0 0 0 14.5917 -13.2542 0.0000 C 0 0 0 0 0 0 0 0 0 13.1667 -12.4500 0.0000 C 0 0 0 0 0 0 0 0 0 14.5875 -12.4500 0.0000 C 0 0 0 0 0 0 0 0 0 13.8792 -11.2042 0.0000 N 0 0 3 0 0 0 0 0 0 12.4417 -12.8625 0.0000 C 0 0 0 0 0 0 0 0 0 13.7417 -13.8542 0.0000 O 0 0 0 0 0 0 0 0 0 12.5750 -13.8542 0.0000 O 0 0 0 0 0 0 0 0 0 14.5875 -11.6250 0.0000 C 0 0 0 0 0 0 0 0 0 13.1667 -11.6250 0.0000 C 0 0 0 0 0 0 0 0 0 14.6042 -14.0792 0.0000 O 0 0 0 0 0 0 0 0 0 15.3042 -12.8292 0.0000 N 0 0 0 0 0 0 0 0 0 14.1917 -10.4417 0.0000 C 0 0 3 0 0 0 0 0 0 11.7292 -13.2750 0.0000 C 0 0 0 0 0 0 0 0 0 12.4417 -12.0292 0.0000 C 0 0 0 0 0 0 0 0 0 11.0167 -12.0375 0.0000 C 0 0 0 0 0 0 0 0 0 11.0167 -12.8625 0.0000 C 0 0 0 0 0 0 0 0 0 11.7292 -11.6167 0.0000 C 0 0 0 0 0 0 0 0 0 16.0250 -13.2375 0.0000 O 0 0 0 0 0 0 0 0 0 10.3000 -11.6167 0.0000 O 0 0 0 0 0 0 0 0 0 13.6042 -9.8542 0.0000 C 0 0 0 0 0 0 0 0 0 15.0167 -10.4417 0.0000 C 0 0 0 0 0 0 0 0 0 9.5875 -12.0292 0.0000 C 0 0 0 0 0 0 0 0 0 15.6042 -9.8542 0.0000 C 0 0 0 0 0 0 0 0 0 13.6042 -9.0292 0.0000 C 0 0 0 0 0 0 0 0 0 14.1917 -8.4417 0.0000 C 0 0 0 0 0 0 0 0 0 15.6042 -9.0292 0.0000 C 0 0 0 0 0 0 0 0 0 15.0167 -8.4417 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 1 1 0 0 0 5 1 1 0 0 0 6 10 1 0 0 0 7 2 1 0 0 0 8 2 2 0 0 0 9 2 2 0 0 0 10 5 1 0 0 0 11 4 1 0 0 0 12 3 2 0 0 0 13 3 1 0 0 0 14 6 1 0 0 0 15 7 2 0 0 0 16 7 1 0 0 0 17 19 1 0 0 0 18 15 1 0 0 0 19 16 2 0 0 0 20 13 1 0 0 0 21 17 1 0 0 0 22 14 1 0 0 0 23 14 1 0 0 0 24 21 1 0 0 0 25 23 1 0 0 0 26 22 1 0 0 0 27 26 1 0 0 0 28 25 1 0 0 0 29 28 1 0 0 0 11 6 1 0 0 0 17 18 2 0 0 0 29 27 1 0 0 0 M END > 7.53760200210104 > 5.57839607313017 $$$$ 11280715312D 1 1.00000 0.00000 0 32 34 0 1 0 999 V2000 3.7292 -2.6625 0.0000 N 0 0 3 0 0 0 0 0 0 3.7292 -2.0625 0.0000 S 0 0 3 0 0 0 0 0 0 3.2500 -3.0125 0.0000 C 0 0 2 0 0 0 0 0 0 4.9792 -4.0042 0.0000 S 0 0 3 0 0 0 0 0 0 4.0292 -3.5875 0.0000 C 0 0 1 0 0 0 0 0 0 4.2167 -3.0125 0.0000 C 0 0 0 0 0 0 0 0 0 4.3875 -4.0667 0.0000 N 0 0 3 0 0 0 0 0 0 3.4292 -3.5875 0.0000 C 0 0 0 0 0 0 0 0 0 2.6792 -2.8292 0.0000 C 0 0 0 0 0 0 0 0 0 4.2542 -1.7625 0.0000 C 0 0 0 0 0 0 0 0 0 3.1500 -1.9042 0.0000 O 0 0 0 0 0 0 0 0 0 3.7250 -1.4625 0.0000 O 0 0 0 0 0 0 0 0 0 4.9792 -3.4042 0.0000 O 0 0 0 0 0 0 0 0 0 5.5625 -3.8500 0.0000 O 0 0 0 0 0 0 0 0 0 4.1417 -4.6167 0.0000 C 0 0 0 0 0 0 0 0 0 2.5542 -2.2417 0.0000 O 0 0 0 0 0 0 0 0 0 2.2292 -3.2292 0.0000 N 0 0 0 0 0 0 0 0 0 4.6042 -6.1375 0.0000 N 0 0 0 0 0 0 0 0 0 4.4917 -5.1042 0.0000 C 0 0 0 0 0 0 0 0 0 4.2542 -1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 4.7750 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 5.3375 -4.4917 0.0000 C 0 0 0 0 0 0 0 0 0 5.2917 -1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 4.7667 -0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 5.2917 -1.7625 0.0000 C 0 0 0 0 0 0 0 0 0 1.6625 -3.0417 0.0000 O 0 0 0 0 0 0 0 0 0 4.2542 -5.6542 0.0000 C 0 0 0 0 0 0 0 0 0 5.8125 -0.8625 0.0000 O 0 0 0 0 0 0 0 0 0 5.2042 -6.0750 0.0000 C 0 0 0 0 0 0 0 0 0 5.0917 -5.0417 0.0000 C 0 0 0 0 0 0 0 0 0 6.3292 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 5.4417 -5.5292 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 7 1 0 0 0 5 6 1 0 0 0 6 1 1 0 0 0 5 7 1 1 0 0 3 8 1 6 0 0 9 3 1 0 0 0 10 2 1 0 0 0 11 2 2 0 0 0 12 2 2 0 0 0 13 4 2 0 0 0 14 4 2 0 0 0 15 7 1 0 0 0 16 9 2 0 0 0 17 9 1 0 0 0 18 27 2 0 0 0 19 15 1 0 0 0 20 10 1 0 0 0 21 10 2 0 0 0 22 4 1 0 0 0 23 25 2 0 0 0 24 20 2 0 0 0 25 21 1 0 0 0 26 17 1 0 0 0 27 19 1 0 0 0 28 23 1 0 0 0 29 32 2 0 0 0 30 19 2 0 0 0 31 28 1 0 0 0 32 30 1 0 0 0 5 8 1 0 0 0 24 23 1 0 0 0 29 18 1 0 0 0 M END > 9 > 7.13076828026902 $$$$ 11280715072D 1 1.00000 0.00000 0 34 36 0 0 0 999 V2000 7.3250 -2.8792 0.0000 S 0 0 3 0 0 0 0 0 0 8.1417 -2.8542 0.0000 C 0 0 3 0 0 0 0 0 0 8.5292 -2.1167 0.0000 C 0 0 0 0 0 0 0 0 0 6.5000 -2.9167 0.0000 C 0 0 0 0 0 0 0 0 0 8.1417 -3.6792 0.0000 C 0 0 0 0 0 0 0 0 0 7.3542 -3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 7.2917 -2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 13.0167 -5.3417 0.0000 N 0 0 3 0 0 0 0 0 0 8.0917 -1.4250 0.0000 O 0 0 0 0 0 0 0 0 0 9.3625 -2.0875 0.0000 N 0 0 0 0 0 0 0 0 0 6.1167 -3.6417 0.0000 C 0 0 0 0 0 0 0 0 0 6.0542 -2.2167 0.0000 C 0 0 0 0 0 0 0 0 0 8.9667 -2.8500 0.0000 C 0 0 0 0 0 0 0 0 0 8.8500 -4.0917 0.0000 C 0 0 0 0 0 0 0 0 0 4.8500 -2.9792 0.0000 C 0 0 0 0 0 0 0 0 0 10.1792 -5.0625 0.0000 C 0 0 0 0 0 0 0 0 0 5.2917 -3.6792 0.0000 C 0 0 0 0 0 0 0 0 0 5.2292 -2.2542 0.0000 C 0 0 0 0 0 0 0 0 0 9.7417 -1.3542 0.0000 O 0 0 0 0 0 0 0 0 0 8.7625 -4.9167 0.0000 C 0 0 0 0 0 0 0 0 0 9.6000 -3.7542 0.0000 C 0 0 0 0 0 0 0 0 0 10.2625 -4.2417 0.0000 C 0 0 0 0 0 0 0 0 0 9.4292 -5.3917 0.0000 C 0 0 0 0 0 0 0 0 0 10.8500 -5.5417 0.0000 O 0 0 0 0 0 0 0 0 0 12.2667 -5.6875 0.0000 C 0 0 0 0 0 0 0 0 0 11.6000 -5.2000 0.0000 C 0 0 0 0 0 0 0 0 0 4.0167 -3.0167 0.0000 O 0 0 0 0 0 0 0 0 0 13.0375 -4.5250 0.0000 C 0 0 0 0 0 0 0 0 0 13.6417 -5.8792 0.0000 C 0 0 0 0 0 0 0 0 0 3.5792 -2.3167 0.0000 C 0 0 0 0 0 0 0 0 0 13.6917 -4.0292 0.0000 C 0 0 0 0 0 0 0 0 0 14.4542 -5.7167 0.0000 C 0 0 0 0 0 0 0 0 0 14.4917 -4.2292 0.0000 C 0 0 0 0 0 0 0 0 0 14.8292 -4.9792 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 1 1 0 0 0 5 2 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 25 1 0 0 0 9 3 2 0 0 0 10 3 1 0 0 0 11 4 1 0 0 0 12 4 2 0 0 0 13 2 1 0 0 0 14 5 1 0 0 0 15 18 2 0 0 0 16 22 1 0 0 0 17 11 2 0 0 0 18 12 1 0 0 0 19 10 1 0 0 0 20 14 2 0 0 0 21 14 1 0 0 0 22 21 2 0 0 0 23 20 1 0 0 0 24 16 1 0 0 0 25 26 1 0 0 0 26 24 1 0 0 0 27 15 1 0 0 0 28 8 1 0 0 0 29 8 1 0 0 0 30 27 1 0 0 0 31 28 1 0 0 0 32 29 1 0 0 0 33 31 1 0 0 0 34 32 1 0 0 0 17 15 1 0 0 0 23 16 2 0 0 0 34 33 1 0 0 0 M END > 7.92081875395237 > 6.26760624017703 $$$$ 11280715002D 1 1.00000 0.00000 0 29 31 0 0 0 999 V2000 5.7000 -7.2250 0.0000 S 0 0 3 0 0 0 0 0 0 5.1750 -6.9250 0.0000 N 0 0 3 0 0 0 0 0 0 7.2625 -5.1125 0.0000 N 0 3 0 0 0 0 0 0 0 6.2167 -7.5250 0.0000 C 0 0 0 0 0 0 0 0 0 4.6542 -7.2250 0.0000 C 0 0 0 0 0 0 0 0 0 4.1292 -6.9250 0.0000 C 0 0 0 0 0 0 0 0 0 6.7292 -7.2167 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -7.7417 0.0000 O 0 0 0 0 0 0 0 0 0 6.0042 -6.7042 0.0000 O 0 0 0 0 0 0 0 0 0 6.7500 -5.4125 0.0000 C 0 0 0 0 0 0 0 0 0 7.7917 -5.4125 0.0000 O 0 5 0 0 0 0 0 0 0 5.1750 -6.3167 0.0000 C 0 0 0 0 0 0 0 0 0 7.2625 -4.5042 0.0000 O 0 0 0 0 0 0 0 0 0 3.6042 -7.2250 0.0000 O 0 0 0 0 0 0 0 0 0 4.1292 -6.3167 0.0000 N 0 0 0 0 0 0 0 0 0 6.2167 -5.1125 0.0000 C 0 0 0 0 0 0 0 0 0 6.7500 -6.0167 0.0000 C 0 0 0 0 0 0 0 0 0 7.2625 -7.5167 0.0000 C 0 0 0 0 0 0 0 0 0 5.7000 -6.0167 0.0000 C 0 0 0 0 0 0 0 0 0 6.2167 -8.1292 0.0000 C 0 0 0 0 0 0 0 0 0 5.7000 -5.4125 0.0000 C 0 0 0 0 0 0 0 0 0 6.2167 -6.3167 0.0000 C 0 0 0 0 0 0 0 0 0 3.6042 -6.0167 0.0000 O 0 0 0 0 0 0 0 0 0 6.7292 -6.6167 0.0000 C 0 0 0 0 0 0 0 0 0 6.7417 -8.4292 0.0000 C 0 0 0 0 0 0 0 0 0 7.2625 -8.1292 0.0000 C 0 0 0 0 0 0 0 0 0 7.7792 -7.2125 0.0000 C 0 0 0 0 0 0 0 0 0 7.2500 -6.3167 0.0000 C 0 0 0 0 0 0 0 0 0 7.7792 -6.6167 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 10 1 0 0 0 4 1 1 0 0 0 5 2 1 0 0 0 6 5 1 0 0 0 7 4 1 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 17 2 0 0 0 11 3 1 0 0 0 12 2 1 0 0 0 13 3 2 0 0 0 14 6 2 0 0 0 15 6 1 0 0 0 16 21 2 0 0 0 17 22 1 0 0 0 18 7 1 0 0 0 19 12 1 0 0 0 20 4 2 0 0 0 21 19 1 0 0 0 22 19 2 0 0 0 23 15 1 0 0 0 24 7 2 0 0 0 25 20 1 0 0 0 26 25 2 0 0 0 27 18 2 0 0 0 28 24 1 0 0 0 29 28 2 0 0 0 18 26 1 0 0 0 27 29 1 0 0 0 10 16 1 0 0 0 M CHG 2 3 1 11 -1 M END > 7.82390874094432 > 7.82390874094432 $$$$ 11280714552D 1 1.00000 0.00000 0 39 41 0 1 0 999 V2000 9.3750 -3.9375 0.0000 N 0 0 0 0 0 0 0 0 0 8.6625 -4.3542 0.0000 C 0 0 0 0 0 0 0 0 0 6.5167 -3.9542 0.0000 P 0 0 3 0 0 0 0 0 0 7.9417 -3.9417 0.0000 C 0 0 3 0 0 0 0 0 0 10.0917 -4.3417 0.0000 C 0 0 2 0 0 0 0 0 0 10.8042 -3.9292 0.0000 C 0 0 0 0 0 0 0 0 0 7.2292 -4.3625 0.0000 C 0 0 0 0 0 0 0 0 0 10.0917 -5.1667 0.0000 C 0 0 3 0 0 0 0 0 0 6.5125 -3.1292 0.0000 O 0 0 0 0 0 0 0 0 0 8.6667 -5.1792 0.0000 O 0 0 0 0 0 0 0 0 0 7.9417 -3.1167 0.0000 C 0 0 0 0 0 0 0 0 0 10.8000 -3.1042 0.0000 O 0 0 0 0 0 0 0 0 0 5.8042 -4.3667 0.0000 C 0 0 0 0 0 0 0 0 0 11.5167 -4.3417 0.0000 N 0 0 0 0 0 0 0 0 0 6.5125 -4.7792 0.0000 O 0 0 0 0 0 0 0 0 0 5.0917 -3.9542 0.0000 C 0 0 0 0 0 0 0 0 0 3.6625 -3.1417 0.0000 C 0 0 0 0 0 0 0 0 0 2.9417 -2.7292 0.0000 C 0 0 0 0 0 0 0 0 0 8.6542 -2.7042 0.0000 C 0 0 0 0 0 0 0 0 0 4.3750 -4.3750 0.0000 C 0 0 0 0 0 0 0 0 0 3.6625 -3.9667 0.0000 C 0 0 0 0 0 0 0 0 0 5.0792 -3.1292 0.0000 C 0 0 0 0 0 0 0 0 0 4.3667 -2.7250 0.0000 C 0 0 0 0 0 0 0 0 0 2.2292 -3.1500 0.0000 C 0 0 0 0 0 0 0 0 0 8.6500 -1.8792 0.0000 C 0 0 0 0 0 0 0 0 0 10.8125 -5.5792 0.0000 C 0 0 0 0 0 0 0 0 0 9.3792 -5.5875 0.0000 C 0 0 0 0 0 0 0 0 0 10.6792 -4.5875 0.0000 C 0 0 0 0 0 0 0 0 0 11.5250 -5.1667 0.0000 C 0 0 0 0 0 0 0 0 0 2.2292 -3.9792 0.0000 C 0 0 0 0 0 0 0 0 0 1.5167 -2.7375 0.0000 C 0 0 0 0 0 0 0 0 0 9.3625 -1.4667 0.0000 C 0 0 0 0 0 0 0 0 0 7.9375 -1.4750 0.0000 C 0 0 0 0 0 0 0 0 0 1.5167 -4.3917 0.0000 C 0 0 0 0 0 0 0 0 0 9.3542 -0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 7.9292 -0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0.8042 -3.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0.8042 -3.9792 0.0000 C 0 0 0 0 0 0 0 0 0 8.6417 -0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 7 1 0 0 0 4 2 1 0 0 0 5 1 1 0 0 0 6 5 1 0 0 0 7 4 1 0 0 0 5 8 1 6 0 0 9 3 2 0 0 0 10 2 2 0 0 0 11 4 1 0 0 0 12 6 2 0 0 0 13 3 1 0 0 0 14 6 1 0 0 0 15 3 1 0 0 0 16 13 1 0 0 0 17 23 1 0 0 0 18 17 1 0 0 0 19 11 1 0 0 0 20 16 2 0 0 0 21 20 1 0 0 0 22 16 1 0 0 0 23 22 2 0 0 0 24 18 1 0 0 0 25 19 1 0 0 0 26 8 1 0 0 0 27 8 1 0 0 0 28 8 1 0 0 0 29 14 1 0 0 0 30 24 1 0 0 0 31 24 2 0 0 0 32 25 2 0 0 0 33 25 1 0 0 0 34 30 2 0 0 0 35 32 1 0 0 0 36 33 2 0 0 0 37 31 1 0 0 0 38 37 2 0 0 0 39 36 1 0 0 0 35 39 2 0 0 0 17 21 2 0 0 0 34 38 1 0 0 0 M END > 7.85387196432176 > 6.11350927482752 $$$$ SciTegic11161115462D 26 28 0 0 0 0 999 V2000 -3.3929 -15.0461 0.0000 C 0 0 -4.1091 -15.4576 0.0000 C 0 0 -4.1108 -16.2790 0.0000 C 0 0 -3.3981 -16.6952 0.0000 O 0 0 -2.6819 -16.2837 0.0000 C 0 0 -2.6785 -15.4561 0.0000 C 0 0 -2.6785 -14.6335 0.0000 S 0 0 -2.2662 -13.9189 0.0000 O 0 0 -3.0912 -13.9191 0.0000 O 0 0 -1.9639 -15.0458 0.0000 C 0 0 -1.9651 -15.8732 0.0000 C 0 0 -1.2503 -16.2860 0.0000 C 0 0 -0.5338 -15.8727 0.0000 C 0 0 -0.5367 -15.0422 0.0000 C 0 0 -1.2521 -14.6330 0.0000 C 0 0 0.1813 -16.2841 0.0000 O 0 0 -4.1074 -14.6338 0.0000 C 0 0 -4.1076 -13.8088 0.0000 O 0 0 -4.8218 -15.0465 0.0000 N 0 0 -5.5364 -14.6341 0.0000 O 0 0 0.8951 -15.8704 0.0000 C 0 0 1.6069 -16.2823 0.0000 C 0 0 2.3202 -15.8693 0.0000 C 0 0 2.3194 -15.0434 0.0000 N 0 0 1.5992 -14.6322 0.0000 C 0 0 0.8888 -15.0475 0.0000 C 0 0 13 14 1 0 7 9 2 0 14 15 2 0 15 10 1 0 13 16 1 0 10 7 1 0 7 1 1 0 1 2 1 0 1 17 1 0 1 6 1 0 17 18 2 0 2 3 1 0 17 19 1 0 3 4 1 0 19 20 1 0 10 11 2 0 16 21 1 0 4 5 1 0 21 22 2 0 11 12 1 0 22 23 1 0 5 6 1 0 23 24 2 0 12 13 2 0 24 25 1 0 8 7 2 0 25 26 2 0 26 21 1 0 M END > 9 > 5.30102999566398 $$$$ 11280715162D 1 1.00000 0.00000 0 35 37 0 0 0 999 V2000 6.1042 -19.1667 0.0000 S 0 0 3 0 0 0 0 0 0 3.9625 -18.7667 0.0000 C 0 0 0 0 0 0 0 0 0 5.3875 -18.7542 0.0000 N 0 0 3 0 0 0 0 0 0 4.6750 -19.1792 0.0000 C 0 0 0 0 0 0 0 0 0 4.6750 -20.0042 0.0000 C 0 0 0 0 0 0 0 0 0 3.9542 -17.9417 0.0000 C 0 0 0 0 0 0 0 0 0 6.8167 -19.5792 0.0000 C 0 0 0 0 0 0 0 0 0 6.1042 -19.9917 0.0000 O 0 0 0 0 0 0 0 0 0 6.8167 -18.7542 0.0000 O 0 0 0 0 0 0 0 0 0 3.2500 -19.1792 0.0000 C 0 0 0 0 0 0 0 0 0 6.1000 -17.5167 0.0000 C 0 0 0 0 0 0 0 0 0 6.8167 -17.1167 0.0000 C 0 0 0 0 0 0 0 0 0 8.2500 -17.1542 0.0000 N 0 0 3 0 0 0 0 0 0 9.6542 -18.0125 0.0000 N 0 0 3 0 0 0 0 0 0 3.9625 -20.4167 0.0000 C 0 0 0 0 0 0 0 0 0 3.2500 -20.0042 0.0000 C 0 0 0 0 0 0 0 0 0 4.6750 -17.5292 0.0000 O 0 0 0 0 0 0 0 0 0 5.3875 -17.9292 0.0000 C 0 0 0 0 0 0 0 0 0 3.2417 -17.5292 0.0000 N 0 0 0 0 0 0 0 0 0 7.5250 -19.1667 0.0000 C 0 0 0 0 0 0 0 0 0 6.8125 -20.4042 0.0000 C 0 0 0 0 0 0 0 0 0 8.9292 -18.4042 0.0000 C 0 0 0 0 0 0 0 0 0 9.6667 -17.1792 0.0000 C 0 0 0 0 0 0 0 0 0 8.2250 -17.9792 0.0000 C 0 0 0 0 0 0 0 0 0 8.9667 -16.7542 0.0000 C 0 0 0 0 0 0 0 0 0 7.5417 -16.7250 0.0000 C 0 0 0 0 0 0 0 0 0 2.5292 -20.4167 0.0000 Br 0 0 0 0 0 0 0 0 0 8.2375 -20.3917 0.0000 C 0 0 0 0 0 0 0 0 0 7.5250 -20.8042 0.0000 C 0 0 0 0 0 0 0 0 0 8.2375 -19.5667 0.0000 C 0 0 0 0 0 0 0 0 0 3.2375 -16.7042 0.0000 O 0 0 0 0 0 0 0 0 0 5.3917 -20.4167 0.0000 C 0 0 0 0 0 0 0 0 0 8.9500 -20.8042 0.0000 O 0 0 0 0 0 0 0 0 0 10.3667 -18.4375 0.0000 C 0 0 0 0 0 0 0 0 0 9.6625 -20.3917 0.0000 C 0 0 0 0 0 0 0 0 0 2 4 2 0 0 0 3 1 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 6 2 1 0 0 0 7 1 1 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 2 1 0 0 0 11 18 1 0 0 0 12 11 3 0 0 0 13 26 1 0 0 0 14 23 1 0 0 0 15 5 2 0 0 0 16 15 1 0 0 0 17 6 2 0 0 0 18 3 1 0 0 0 19 6 1 0 0 0 20 7 1 0 0 0 21 7 2 0 0 0 22 24 1 0 0 0 23 25 1 0 0 0 24 13 1 0 0 0 25 13 1 0 0 0 26 12 1 0 0 0 27 16 1 0 0 0 28 29 2 0 0 0 29 21 1 0 0 0 30 20 2 0 0 0 31 19 1 0 0 0 32 5 1 0 0 0 33 28 1 0 0 0 34 14 1 0 0 0 35 33 1 0 0 0 28 30 1 0 0 0 16 10 2 0 0 0 14 22 1 0 0 0 M END > 8.22184874961636 > 6.88941028970075 $$$$ 11280715432D 1 1.00000 0.00000 0 32 34 0 0 0 999 V2000 -0.1333 1.4208 0.0000 S 0 0 3 0 0 0 0 0 0 -0.1333 0.5833 0.0000 N 0 0 3 0 0 0 0 0 0 -0.8833 0.2375 0.0000 C 0 0 3 0 0 0 0 0 0 -1.5208 0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5625 -1.2167 0.0000 N 0 0 3 0 0 0 0 0 0 0.7042 1.4208 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0833 -0.5750 0.0000 C 0 0 0 0 0 0 0 0 0 -0.9583 1.4208 0.0000 O 0 0 0 0 0 0 0 0 0 -0.1333 2.2458 0.0000 O 0 0 0 0 0 0 0 0 0 3.1792 -0.0250 0.0000 C 0 0 0 0 0 0 0 0 0 3.6000 -0.7417 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5333 1.5875 0.0000 O 0 0 0 0 0 0 0 0 0 -2.2708 0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 -0.9333 -1.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0.6042 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 1.1042 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 1.1042 2.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0.7917 -0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 2.3542 1.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0.2667 -1.2250 0.0000 C 0 0 0 0 0 0 0 0 0 1.9417 0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 1.9417 2.1458 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7583 -2.0167 0.0000 C 0 0 0 0 0 0 0 0 0 -2.9583 0.8750 0.0000 O 0 0 0 0 0 0 0 0 0 3.6042 0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 3.1792 1.4125 0.0000 O 0 0 0 0 0 0 0 0 0 4.0042 -1.4625 0.0000 C 0 0 0 0 0 0 0 0 0 -2.1083 -2.7542 0.0000 C 0 0 0 0 0 0 0 0 0 -2.2208 -1.3375 0.0000 C 0 0 0 0 0 0 0 0 0 -3.0333 -1.3875 0.0000 C 0 0 0 0 0 0 0 0 0 -2.9333 -2.8167 0.0000 C 0 0 0 0 0 0 0 0 0 -3.3958 -2.1375 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 7 1 0 0 0 6 1 1 0 0 0 7 3 1 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 25 1 0 0 0 11 10 3 0 0 0 12 4 2 0 0 0 13 4 1 0 0 0 14 5 1 0 0 0 15 2 1 0 0 0 16 6 2 0 0 0 17 6 1 0 0 0 18 15 1 0 0 0 19 22 1 0 0 0 20 18 1 0 0 0 21 16 1 0 0 0 22 17 2 0 0 0 23 14 1 0 0 0 24 13 1 0 0 0 25 26 1 0 0 0 26 19 1 0 0 0 27 11 1 0 0 0 28 23 1 0 0 0 29 23 2 0 0 0 30 29 1 0 0 0 31 28 2 0 0 0 32 30 2 0 0 0 19 21 2 0 0 0 20 5 1 0 0 0 32 31 1 0 0 0 M END > 7.2839966563652 > 6.67366413907125 $$$$ 11280715172D 1 1.00000 0.00000 0 38 40 0 0 0 999 V2000 3.8500 -6.0250 0.0000 S 0 0 3 0 0 0 0 0 0 3.2500 -6.0167 0.0000 N 0 0 3 0 0 0 0 0 0 2.9500 -6.5375 0.0000 C 0 0 3 0 0 0 0 0 0 3.2417 -7.0500 0.0000 C 0 0 0 0 0 0 0 0 0 2.8250 -5.5917 0.0000 C 0 0 0 0 0 0 0 0 0 3.8500 -5.4250 0.0000 C 0 0 0 0 0 0 0 0 0 2.2250 -5.5875 0.0000 C 0 0 0 0 0 0 0 0 0 3.8500 -6.6250 0.0000 O 0 0 0 0 0 0 0 0 0 4.4500 -6.0250 0.0000 O 0 0 0 0 0 0 0 0 0 1.9250 -5.0667 0.0000 N 0 0 0 0 0 0 0 0 0 3.8250 -7.2042 0.0000 O 0 0 0 0 0 0 0 0 0 3.0875 -7.6292 0.0000 N 0 0 0 0 0 0 0 0 0 1.9250 -6.1042 0.0000 O 0 0 0 0 0 0 0 0 0 2.3625 -6.6875 0.0000 C 0 0 0 0 0 0 0 0 0 4.3667 -5.1250 0.0000 C 0 0 0 0 0 0 0 0 0 3.3292 -5.1250 0.0000 C 0 0 0 0 0 0 0 0 0 2.2167 -4.5500 0.0000 C 0 0 0 0 0 0 0 0 0 3.8500 -4.2167 0.0000 C 0 0 0 0 0 0 0 0 0 4.3667 -4.5167 0.0000 C 0 0 0 0 0 0 0 0 0 3.3292 -4.5167 0.0000 C 0 0 0 0 0 0 0 0 0 1.4750 -7.3625 0.0000 S 0 0 0 0 0 0 0 0 0 3.0792 -8.2292 0.0000 O 0 0 0 0 0 0 0 0 0 1.9125 -4.0250 0.0000 C 0 0 0 0 0 0 0 0 0 3.8417 -3.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0.7375 -8.0875 0.0000 C 0 0 0 0 0 0 0 0 0 2.0625 -7.2042 0.0000 C 0 0 0 0 0 0 0 0 0 1.3167 -7.9375 0.0000 C 0 0 0 0 0 0 0 0 0 1.3125 -4.0292 0.0000 C 0 0 0 0 0 0 0 0 0 2.2125 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 4.3625 -3.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0.5750 -8.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0.3125 -7.6625 0.0000 C 0 0 0 0 0 0 0 0 0 1.0042 -3.5125 0.0000 C 0 0 0 0 0 0 0 0 0 1.9125 -2.9792 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2750 -7.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0.0000 -8.8250 0.0000 C 0 0 0 0 0 0 0 0 0 -0.4333 -8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 1.3042 -2.9875 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 2 1 0 0 0 6 1 1 0 0 0 7 5 1 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 7 1 0 0 0 11 4 2 0 0 0 12 4 1 0 0 0 13 7 2 0 0 0 14 3 1 0 0 0 15 6 2 0 0 0 16 6 1 0 0 0 17 10 1 0 0 0 18 20 1 0 0 0 19 15 1 0 0 0 20 16 2 0 0 0 21 26 1 0 0 0 22 12 1 0 0 0 23 17 1 0 0 0 24 18 1 0 0 0 25 27 1 0 0 0 26 14 1 0 0 0 27 21 1 0 0 0 28 23 1 0 0 0 29 23 2 0 0 0 30 24 1 0 0 0 31 25 1 0 0 0 32 25 2 0 0 0 33 28 2 0 0 0 34 29 1 0 0 0 35 32 1 0 0 0 36 31 2 0 0 0 37 35 2 0 0 0 38 34 2 0 0 0 18 19 2 0 0 0 33 38 1 0 0 0 37 36 1 0 0 0 M END > 9.30102999566398 > 8.29242982390206 $$$$ 11280715052D 1 1.00000 0.00000 0 40 44 0 0 0 999 V2000 4.4417 -3.3000 0.0000 S 0 0 3 0 0 0 0 0 0 2.3542 -3.9292 0.0000 C 0 0 0 0 0 0 0 0 0 3.6167 -3.2667 0.0000 N 0 0 3 0 0 0 0 0 0 3.1792 -3.9667 0.0000 C 0 0 0 0 0 0 0 0 0 1.9167 -4.6292 0.0000 C 0 0 0 0 0 0 0 0 0 3.5667 -4.7000 0.0000 C 0 0 0 0 0 0 0 0 0 1.9667 -3.2042 0.0000 C 0 0 0 0 0 0 0 0 0 2.3000 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 5.2667 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 3.1250 -5.3917 0.0000 C 0 0 0 0 0 0 0 0 0 1.8542 -6.0542 0.0000 C 0 0 0 0 0 0 0 0 0 4.8292 -4.0292 0.0000 O 0 0 0 0 0 0 0 0 0 4.8792 -2.6000 0.0000 O 0 0 0 0 0 0 0 0 0 3.2375 -2.5375 0.0000 C 0 0 0 0 0 0 0 0 0 1.0292 -6.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0.5875 -6.7167 0.0000 C 0 0 0 0 0 0 0 0 0 2.4125 -2.5042 0.0000 O 0 0 0 0 0 0 0 0 0 4.9417 -1.1667 0.0000 N 0 0 0 0 0 0 0 0 0 2.2375 -6.7875 0.0000 C 0 0 0 0 0 0 0 0 0 1.1417 -3.1750 0.0000 N 0 0 0 0 0 0 0 0 0 3.6792 -1.8417 0.0000 C 0 0 0 0 0 0 0 0 0 5.6792 -4.0042 0.0000 C 0 0 0 0 0 0 0 0 0 5.6750 -2.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0.9667 -7.4542 0.0000 C 0 0 0 0 0 0 0 0 0 1.7917 -7.4875 0.0000 C 0 0 0 0 0 0 0 0 0 6.9125 -3.2917 0.0000 C 0 0 0 0 0 0 0 0 0 6.4917 -2.5792 0.0000 C 0 0 0 0 0 0 0 0 0 6.5000 -4.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0.7042 -3.8750 0.0000 O 0 0 0 0 0 0 0 0 0 4.3917 -4.7292 0.0000 C 0 0 0 0 0 0 0 0 0 4.5042 -1.8667 0.0000 C 0 0 0 0 0 0 0 0 0 7.7375 -3.2917 0.0000 O 0 0 0 0 0 0 0 0 0 4.5542 -0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2375 -6.6875 0.0000 C 0 0 0 0 0 0 0 0 0 3.2917 -1.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0.5292 -8.1500 0.0000 C 0 0 0 0 0 0 0 0 0 8.1500 -4.0042 0.0000 C 0 0 0 0 0 0 0 0 0 3.7375 -0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6750 -7.3875 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2958 -8.1167 0.0000 C 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 3 1 1 0 0 0 4 3 1 0 0 0 5 2 2 0 0 0 6 4 2 0 0 0 7 2 1 0 0 0 8 10 2 0 0 0 9 1 1 0 0 0 10 6 1 0 0 0 11 8 1 0 0 0 12 1 2 0 0 0 13 1 2 0 0 0 14 3 1 0 0 0 15 11 2 0 0 0 16 15 1 0 0 0 17 7 2 0 0 0 18 31 2 0 0 0 19 11 1 0 0 0 20 7 1 0 0 0 21 14 1 0 0 0 22 9 2 0 0 0 23 9 1 0 0 0 24 25 1 0 0 0 25 19 2 0 0 0 26 27 1 0 0 0 27 23 2 0 0 0 28 22 1 0 0 0 29 20 1 0 0 0 30 6 1 0 0 0 31 21 1 0 0 0 32 26 1 0 0 0 33 38 2 0 0 0 34 16 1 0 0 0 35 21 2 0 0 0 36 24 1 0 0 0 37 32 1 0 0 0 38 35 1 0 0 0 39 34 2 0 0 0 40 36 2 0 0 0 28 26 2 0 0 0 5 8 1 0 0 0 18 33 1 0 0 0 16 24 2 0 0 0 40 39 1 0 0 0 M END > 9 > 6.12784372725171 $$$$ Mrv0541 04051115152D 26 27 0 0 0 0 999 V2000 0.5328 -1.9889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2473 -2.4014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2473 -3.2264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5328 -3.6389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1817 -3.2264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1817 -2.4014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5328 -4.4639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2473 -4.8764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5328 -1.1639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1817 -0.7514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1817 0.0736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5328 0.4861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2473 0.0736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2473 -0.7514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5328 1.3111 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3578 1.3111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2922 1.3111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5328 2.1361 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1817 2.5486 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8961 2.1361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8961 1.3111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6106 2.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1817 3.3736 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -1.0067 3.3736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1817 4.1986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6433 3.3736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 9 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 5 4 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 8 7 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 16 15 2 0 0 0 0 17 15 2 0 0 0 0 18 15 1 0 0 0 0 19 18 1 1 0 0 0 19 20 1 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 24 23 1 0 0 0 0 25 23 2 0 0 0 0 26 23 1 0 0 0 0 M END > 8.58502665202918 > 6.82390874094432 $$$$ 11280715242D 1 1.00000 0.00000 0 30 32 0 0 0 999 V2000 4.8750 -1.6667 0.0000 S 0 0 3 0 0 0 0 0 0 4.8750 -2.2667 0.0000 N 0 0 3 0 0 0 0 0 0 4.3625 -2.5667 0.0000 C 0 0 3 0 0 0 0 0 0 4.8750 -3.4667 0.0000 N 0 0 3 0 0 0 0 0 0 4.8750 -4.0667 0.0000 C 0 0 0 0 0 0 0 0 0 4.3625 -3.1667 0.0000 C 0 0 0 0 0 0 0 0 0 3.8417 -2.2667 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -2.5667 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -4.3667 0.0000 N 0 0 3 0 0 0 0 0 0 5.3917 -1.3667 0.0000 C 0 0 0 0 0 0 0 0 0 4.3250 -1.2875 0.0000 O 0 0 0 0 0 0 0 0 0 5.5875 -2.0792 0.0000 O 0 0 0 0 0 0 0 0 0 5.3917 -3.1667 0.0000 C 0 0 0 0 0 0 0 0 0 4.3542 -4.3667 0.0000 O 0 0 0 0 0 0 0 0 0 3.8375 -1.6667 0.0000 O 0 0 0 0 0 0 0 0 0 3.3167 -2.5667 0.0000 N 0 0 0 0 0 0 0 0 0 5.9125 -1.6667 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -0.7667 0.0000 C 0 0 0 0 0 0 0 0 0 6.4292 -0.7667 0.0000 C 0 0 0 0 0 0 0 0 0 5.9042 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 6.4292 -1.3667 0.0000 C 0 0 0 0 0 0 0 0 0 2.8000 -2.2667 0.0000 O 0 0 0 0 0 0 0 0 0 5.8292 -4.0417 0.0000 C 0 0 0 0 0 0 0 0 0 5.3167 -4.9917 0.0000 C 0 0 0 0 0 0 0 0 0 6.9500 -0.4667 0.0000 O 0 0 0 0 0 0 0 0 0 7.4667 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 5.6417 -5.4000 0.0000 C 0 0 0 0 0 0 0 0 0 6.4125 -4.2292 0.0000 C 0 0 0 0 0 0 0 0 0 6.6125 -4.8417 0.0000 C 0 0 0 0 0 0 0 0 0 6.2542 -5.3750 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 13 1 0 0 0 5 4 1 0 0 0 6 3 1 0 0 0 7 3 1 0 0 0 8 2 1 0 0 0 9 5 1 0 0 0 10 1 1 0 0 0 11 1 2 0 0 0 12 1 2 0 0 0 13 8 1 0 0 0 14 5 2 0 0 0 15 7 2 0 0 0 16 7 1 0 0 0 17 10 2 0 0 0 18 10 1 0 0 0 19 20 1 0 0 0 20 18 2 0 0 0 21 17 1 0 0 0 22 16 1 0 0 0 23 9 1 0 0 0 24 9 1 0 0 0 25 19 1 0 0 0 26 25 1 0 0 0 27 24 1 0 0 0 28 23 1 0 0 0 29 28 1 0 0 0 30 27 1 0 0 0 19 21 2 0 0 0 4 6 1 0 0 0 29 30 1 0 0 0 M END > 8.53760200210104 > 6.80134291304558 $$$$ 11280715092D 1 1.00000 0.00000 0 29 31 0 1 0 999 V2000 6.1917 -3.4875 0.0000 S 0 0 3 0 0 0 0 0 0 6.1792 -4.3125 0.0000 N 0 0 3 0 0 0 0 0 0 6.7042 -5.6375 0.0000 C 0 0 2 0 0 0 0 0 0 6.8292 -4.8167 0.0000 C 0 0 3 0 0 0 0 0 0 5.9417 -5.9417 0.0000 C 0 0 0 0 0 0 0 0 0 6.1917 -2.6625 0.0000 C 0 0 0 0 0 0 0 0 0 7.0167 -3.4875 0.0000 O 0 0 0 0 0 0 0 0 0 5.3917 -3.2667 0.0000 O 0 0 0 0 0 0 0 0 0 5.3792 -4.5250 0.0000 C 0 0 0 0 0 0 0 0 0 5.2917 -5.4292 0.0000 O 0 0 0 0 0 0 0 0 0 5.8167 -6.7542 0.0000 N 0 0 0 0 0 0 0 0 0 5.4792 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 6.9042 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 6.1917 -1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 4.6625 -4.1125 0.0000 C 0 0 0 0 0 0 0 0 0 5.4792 -1.4250 0.0000 C 0 0 0 0 0 0 0 0 0 6.9042 -1.4167 0.0000 C 0 0 0 0 0 0 0 0 0 7.3542 -6.1417 0.0000 C 0 0 0 0 0 0 0 0 0 5.0542 -7.0625 0.0000 O 0 0 0 0 0 0 0 0 0 7.5917 -4.5042 0.0000 C 0 0 0 0 0 0 0 0 0 6.1875 -0.1792 0.0000 O 0 0 0 0 0 0 0 0 0 4.6625 -3.2792 0.0000 C 0 0 0 0 0 0 0 0 0 3.9500 -4.5250 0.0000 C 0 0 0 0 0 0 0 0 0 6.9042 0.2333 0.0000 C 0 0 0 0 0 0 0 0 0 8.1167 -5.8417 0.0000 C 0 0 0 0 0 0 0 0 0 8.2417 -5.0250 0.0000 C 0 0 0 0 0 0 0 0 0 3.9417 -2.8667 0.0000 C 0 0 0 0 0 0 0 0 0 3.2292 -4.1167 0.0000 C 0 0 0 0 0 0 0 0 0 3.2292 -3.2792 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 4 1 0 0 0 2 4 1 0 0 0 3 5 1 1 0 0 6 1 1 0 0 0 7 1 2 0 0 0 8 1 2 0 0 0 9 2 1 0 0 0 10 5 2 0 0 0 11 5 1 0 0 0 12 6 1 0 0 0 13 6 2 0 0 0 14 17 2 0 0 0 15 9 1 0 0 0 16 12 2 0 0 0 17 13 1 0 0 0 18 3 1 0 0 0 19 11 1 0 0 0 20 4 1 0 0 0 21 14 1 0 0 0 22 15 2 0 0 0 23 15 1 0 0 0 24 21 1 0 0 0 25 26 1 0 0 0 26 20 1 0 0 0 27 22 1 0 0 0 28 23 2 0 0 0 29 28 1 0 0 0 16 14 1 0 0 0 18 25 1 0 0 0 27 29 2 0 0 0 M END > 6.63264407897398 > 6.7594507517174 $$$$ 11280714472D 1 1.00000 0.00000 0 28 29 0 0 0 999 V2000 5.3292 -2.8250 0.0000 S 0 0 3 0 0 0 0 0 0 3.2792 -3.5417 0.0000 C 0 0 0 0 0 0 0 0 0 4.5042 -2.8250 0.0000 N 0 0 3 0 0 0 0 0 0 4.0917 -3.5417 0.0000 C 0 0 0 0 0 0 0 0 0 4.5042 -4.2542 0.0000 C 0 0 0 0 0 0 0 0 0 2.8667 -2.8250 0.0000 C 0 0 0 0 0 0 0 0 0 5.9167 -2.2375 0.0000 C 0 0 0 0 0 0 0 0 0 5.9167 -3.4042 0.0000 O 0 0 0 0 0 0 0 0 0 5.3292 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 2.8750 -4.2417 0.0000 C 0 0 0 0 0 0 0 0 0 4.0917 -4.9542 0.0000 C 0 0 0 0 0 0 0 0 0 3.2792 -4.9542 0.0000 C 0 0 0 0 0 0 0 0 0 3.2792 -2.1125 0.0000 O 0 0 0 0 0 0 0 0 0 2.0417 -2.8250 0.0000 N 0 0 0 0 0 0 0 0 0 6.7167 -2.4417 0.0000 C 0 0 0 0 0 0 0 0 0 5.6917 -1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 4.0917 -2.1125 0.0000 C 0 0 0 0 0 0 0 0 0 2.8625 -5.6667 0.0000 Br 0 0 0 0 0 0 0 0 0 7.0750 -1.0542 0.0000 C 0 0 0 0 0 0 0 0 0 6.2667 -0.8542 0.0000 C 0 0 0 0 0 0 0 0 0 7.2917 -1.8542 0.0000 C 0 0 0 0 0 0 0 0 0 1.6292 -3.5417 0.0000 O 0 0 0 0 0 0 0 0 0 5.3292 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 7.6500 -0.4667 0.0000 O 0 0 0 0 0 0 0 0 0 8.4500 -0.6750 0.0000 C 0 0 0 0 0 0 0 0 0 9.0292 -0.0875 0.0000 C 0 0 0 0 0 0 0 0 0 9.8292 -0.2917 0.0000 C 0 0 0 0 0 0 0 0 0 10.4042 0.2958 0.0000 C 0 0 0 0 0 0 0 0 0 2 4 2 0 0 0 3 1 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 6 2 1 0 0 0 7 1 1 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 2 1 0 0 0 11 5 2 0 0 0 12 11 1 0 0 0 13 6 2 0 0 0 14 6 1 0 0 0 15 7 2 0 0 0 16 7 1 0 0 0 17 3 1 0 0 0 18 12 1 0 0 0 19 20 1 0 0 0 20 16 2 0 0 0 21 15 1 0 0 0 22 14 1 0 0 0 23 5 1 0 0 0 24 19 1 0 0 0 25 24 1 0 0 0 26 25 1 0 0 0 27 26 1 0 0 0 28 27 1 0 0 0 21 19 2 0 0 0 10 12 2 0 0 0 M END > 7.16749108729376 > 5.60414962398122 $$$$ 11280715242D 1 1.00000 0.00000 0 30 31 0 0 0 999 V2000 5.0500 -0.8375 0.0000 S 0 0 3 0 0 0 0 0 0 5.0500 -1.4375 0.0000 N 0 0 3 0 0 0 0 0 0 4.5375 -1.7375 0.0000 C 0 0 3 0 0 0 0 0 0 5.0500 -2.6375 0.0000 N 0 0 3 0 0 0 0 0 0 5.0500 -3.2375 0.0000 C 0 0 0 0 0 0 0 0 0 4.5375 -2.3375 0.0000 C 0 0 0 0 0 0 0 0 0 4.0167 -1.4375 0.0000 C 0 0 0 0 0 0 0 0 0 5.5667 -1.7375 0.0000 C 0 0 0 0 0 0 0 0 0 5.5667 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 4.5000 -0.4500 0.0000 O 0 0 0 0 0 0 0 0 0 5.7625 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 5.5667 -2.3375 0.0000 C 0 0 0 0 0 0 0 0 0 5.5667 -3.5375 0.0000 N 0 0 3 0 0 0 0 0 0 4.5292 -3.5292 0.0000 O 0 0 0 0 0 0 0 0 0 4.0125 -0.8375 0.0000 O 0 0 0 0 0 0 0 0 0 3.4917 -1.7375 0.0000 N 0 0 0 0 0 0 0 0 0 6.0875 -0.8292 0.0000 C 0 0 0 0 0 0 0 0 0 5.5667 0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 6.6042 0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 6.0792 0.3708 0.0000 C 0 0 0 0 0 0 0 0 0 6.6042 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 7.1250 0.3708 0.0000 Br 0 0 0 0 0 0 0 0 0 2.9750 -1.4375 0.0000 O 0 0 0 0 0 0 0 0 0 5.5667 -4.1292 0.0000 C 0 0 0 0 0 0 0 0 0 6.0917 -3.2375 0.0000 C 0 0 0 0 0 0 0 0 0 5.0500 -4.4375 0.0000 C 0 0 0 0 0 0 0 0 0 4.5250 -5.9292 0.0000 C 0 0 0 0 0 0 0 0 0 4.5292 -5.3292 0.0000 C 0 0 0 0 0 0 0 0 0 5.0417 -5.0375 0.0000 C 0 0 0 0 0 0 0 0 0 4.0042 -6.2292 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 12 1 0 0 0 5 4 1 0 0 0 6 3 1 0 0 0 7 3 1 0 0 0 8 2 1 0 0 0 9 1 1 0 0 0 10 1 2 0 0 0 11 1 2 0 0 0 12 8 1 0 0 0 13 5 1 0 0 0 14 5 2 0 0 0 15 7 2 0 0 0 16 7 1 0 0 0 17 9 2 0 0 0 18 9 1 0 0 0 19 20 1 0 0 0 20 18 2 0 0 0 21 17 1 0 0 0 22 19 1 0 0 0 23 16 1 0 0 0 24 13 1 0 0 0 25 13 1 0 0 0 26 24 1 0 0 0 27 28 1 0 0 0 28 29 1 0 0 0 29 26 1 0 0 0 30 27 1 0 0 0 19 21 2 0 0 0 4 6 1 0 0 0 M END > 8.34678748622466 > 7.06048074738138 $$$$ 11280715462D 1 1.00000 0.00000 0 31 33 0 1 0 999 V2000 3.6125 -2.3875 0.0000 S 0 0 3 0 0 0 0 0 0 3.6125 -3.2167 0.0000 N 0 0 3 0 0 0 0 0 0 2.8917 -3.6292 0.0000 C 0 0 2 0 0 0 0 0 0 2.8917 -4.4542 0.0000 C 0 0 3 0 0 0 0 0 0 2.1792 -3.2167 0.0000 C 0 0 0 0 0 0 0 0 0 4.3292 -3.6292 0.0000 C 0 0 0 0 0 0 0 0 0 3.6167 -1.5625 0.0000 C 0 0 0 0 0 0 0 0 0 4.4375 -2.3792 0.0000 O 0 0 0 0 0 0 0 0 0 2.7875 -2.3792 0.0000 O 0 0 0 0 0 0 0 0 0 3.6042 -4.8667 0.0000 C 0 0 0 0 0 0 0 0 0 5.0667 0.9083 0.0000 C 0 0 0 0 0 0 0 0 0 2.1792 -2.3917 0.0000 O 0 0 0 0 0 0 0 0 0 4.3292 -4.4542 0.0000 C 0 0 1 0 0 0 0 0 0 1.4667 -3.6250 0.0000 N 0 0 0 0 0 0 0 0 0 5.7792 1.3125 0.0000 C 0 0 0 0 0 0 0 0 0 4.3542 1.3208 0.0000 C 0 0 0 0 0 0 0 0 0 4.3292 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 2.9042 -1.1417 0.0000 C 0 0 0 0 0 0 0 0 0 3.6375 0.9208 0.0000 O 0 0 0 0 0 0 0 0 0 3.6292 0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 5.7875 2.1458 0.0000 Br 0 0 0 0 0 0 0 0 0 2.0667 -4.4417 0.0000 C 0 0 0 0 0 0 0 0 0 2.8875 -5.2792 0.0000 C 0 0 0 0 0 0 0 0 0 2.9125 -0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 4.3417 -0.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0.7500 -3.2125 0.0000 O 0 0 0 0 0 0 0 0 0 5.0417 -4.8750 0.0000 O 0 0 0 0 0 0 0 0 0 5.0542 0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 6.4917 0.8958 0.0000 C 0 0 0 0 0 0 0 0 0 5.7667 -0.3375 0.0000 C 0 0 0 0 0 0 0 0 0 6.4875 0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 3 5 1 6 0 0 6 2 1 0 0 0 7 1 1 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 13 1 0 0 0 11 16 1 0 0 0 12 5 2 0 0 0 13 6 1 0 0 0 14 5 1 0 0 0 15 11 1 0 0 0 16 19 1 0 0 0 17 7 1 0 0 0 18 7 2 0 0 0 19 20 1 0 0 0 20 24 2 0 0 0 21 15 1 0 0 0 22 4 1 0 0 0 23 4 1 0 0 0 24 18 1 0 0 0 25 17 2 0 0 0 26 14 1 0 0 0 13 27 1 6 0 0 28 11 2 0 0 0 29 15 2 0 0 0 30 28 1 0 0 0 31 30 2 0 0 0 20 25 1 0 0 0 10 4 1 0 0 0 31 29 1 0 0 0 M END > 8.09691001300806 > 6.14569395819892 $$$$ 11280715422D 1 1.00000 0.00000 0 32 34 0 1 0 999 V2000 3.7292 -2.0250 0.0000 S 0 0 3 0 0 0 0 0 0 3.7292 -1.2000 0.0000 N 0 0 3 0 0 0 0 0 0 4.4417 -0.7875 0.0000 C 0 0 2 0 0 0 0 0 0 4.4417 0.0375 0.0000 C 0 0 3 0 0 0 0 0 0 5.1542 -1.2000 0.0000 C 0 0 0 0 0 0 0 0 0 3.0250 -0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 3.7250 -2.8500 0.0000 C 0 0 0 0 0 0 0 0 0 2.9042 -2.0167 0.0000 O 0 0 0 0 0 0 0 0 0 4.5542 -2.0250 0.0000 O 0 0 0 0 0 0 0 0 0 5.7667 -5.8292 0.0000 C 0 0 0 0 0 0 0 0 0 5.1250 -5.3167 0.0000 C 0 0 0 0 0 0 0 0 0 6.5375 -5.5375 0.0000 C 0 0 0 0 0 0 0 0 0 3.7292 0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 5.5625 -1.9125 0.0000 O 0 0 0 0 0 0 0 0 0 3.0250 0.0375 0.0000 C 0 0 1 0 0 0 0 0 0 5.8667 -0.7875 0.0000 N 0 0 0 0 0 0 0 0 0 4.4125 -5.7292 0.0000 C 0 0 0 0 0 0 0 0 0 5.2542 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 4.4292 -3.2625 0.0000 C 0 0 0 0 0 0 0 0 0 3.0042 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 3.7000 -5.3167 0.0000 O 0 0 0 0 0 0 0 0 0 6.6625 -4.7250 0.0000 C 0 0 0 0 0 0 0 0 0 5.6417 -6.6417 0.0000 Cl 0 0 0 0 0 0 0 0 0 3.7042 -4.4917 0.0000 C 0 0 0 0 0 0 0 0 0 5.2667 0.0375 0.0000 C 0 0 0 0 0 0 0 0 0 4.4417 0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 6.0250 -4.2042 0.0000 C 0 0 0 0 0 0 0 0 0 4.4250 -4.0875 0.0000 C 0 0 0 0 0 0 0 0 0 3.0000 -4.0667 0.0000 C 0 0 0 0 0 0 0 0 0 7.4292 -4.4250 0.0000 Cl 0 0 0 0 0 0 0 0 0 6.5792 -1.2000 0.0000 O 0 0 0 0 0 0 0 0 0 2.3042 0.4500 0.0000 O 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 3 5 1 6 0 0 6 2 1 0 0 0 7 1 1 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 11 2 0 0 0 11 17 1 0 0 0 12 10 1 0 0 0 13 15 1 0 0 0 14 5 2 0 0 0 15 6 1 0 0 0 16 5 1 0 0 0 17 21 1 0 0 0 18 11 1 0 0 0 19 7 1 0 0 0 20 7 2 0 0 0 21 24 1 0 0 0 22 27 1 0 0 0 23 10 1 0 0 0 24 29 2 0 0 0 25 4 1 0 0 0 26 4 1 0 0 0 27 18 2 0 0 0 28 19 2 0 0 0 29 20 1 0 0 0 30 22 1 0 0 0 31 16 1 0 0 0 15 32 1 6 0 0 24 28 1 0 0 0 13 4 1 0 0 0 22 12 2 0 0 0 M END > 8.52287874528034 > 6.36653154442041 $$$$ 11280715192D 1 1.00000 0.00000 0 35 37 0 1 0 999 V2000 0.5167 -1.0917 0.0000 S 0 0 3 0 0 0 0 0 0 0.5167 -0.2667 0.0000 N 0 0 3 0 0 0 0 0 0 1.2292 0.1500 0.0000 C 0 0 2 0 0 0 0 0 0 0.5042 1.3875 0.0000 N 0 0 3 0 0 0 0 0 0 0.5000 2.2125 0.0000 C 0 0 0 0 0 0 0 0 0 1.2250 0.9750 0.0000 C 0 0 1 0 0 0 0 0 0 1.9417 -0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2083 0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2125 0.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0.5250 -1.9167 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2208 2.6208 0.0000 N 0 0 0 0 0 0 0 0 0 -0.1958 -0.6875 0.0000 O 0 0 0 0 0 0 0 0 0 1.2375 -0.6792 0.0000 O 0 0 0 0 0 0 0 0 0 1.2042 2.6333 0.0000 O 0 0 0 0 0 0 0 0 0 1.9542 -1.0792 0.0000 O 0 0 0 0 0 0 0 0 0 2.6625 0.1625 0.0000 N 0 0 0 0 0 0 0 0 0 1.2375 -5.6292 0.0000 C 0 0 0 0 0 0 0 0 0 1.2375 -4.8042 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1875 -2.3375 0.0000 C 0 0 0 0 0 0 0 0 0 1.2417 -2.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0.5250 -6.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0.5250 -4.3917 0.0000 O 0 0 0 0 0 0 0 0 0 0.5250 -3.5750 0.0000 C 0 0 0 0 0 0 0 0 0 1.9375 1.3958 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1875 -3.1625 0.0000 C 0 0 0 0 0 0 0 0 0 1.2417 -3.1625 0.0000 C 0 0 0 0 0 0 0 0 0 3.3792 -0.2417 0.0000 O 0 0 0 0 0 0 0 0 0 -0.2250 3.4458 0.0000 C 0 0 3 0 0 0 0 0 0 1.9542 -6.0417 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1875 -5.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0.5250 -6.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0.4875 3.8583 0.0000 C 0 0 0 0 0 0 0 0 0 -0.9458 3.8583 0.0000 C 0 0 0 0 0 0 0 0 0 1.9542 -6.8625 0.0000 C 0 0 0 0 0 0 0 0 0 1.2375 -7.2792 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 9 1 0 0 0 5 4 1 0 0 0 6 3 1 0 0 0 3 7 1 6 0 0 8 2 1 0 0 0 9 8 1 0 0 0 10 1 1 0 0 0 11 5 1 0 0 0 12 1 2 0 0 0 13 1 2 0 0 0 14 5 2 0 0 0 15 7 2 0 0 0 16 7 1 0 0 0 17 18 1 0 0 0 18 22 1 0 0 0 19 10 1 0 0 0 20 10 2 0 0 0 21 17 2 0 0 0 22 23 1 0 0 0 23 26 2 0 0 0 6 24 1 1 0 0 25 19 2 0 0 0 26 20 1 0 0 0 27 16 1 0 0 0 28 11 1 0 0 0 29 17 1 0 0 0 30 21 1 0 0 0 31 21 1 0 0 0 32 28 1 0 0 0 33 28 1 0 0 0 34 29 2 0 0 0 35 34 1 0 0 0 25 23 1 0 0 0 6 4 1 0 0 0 31 35 2 0 0 0 M END > 8.39794000867204 > 5.85387196432176 $$$$ 11280714532D 1 1.00000 0.00000 0 37 40 0 0 0 999 V2000 2.2417 -0.6750 0.0000 S 0 0 3 0 0 0 0 0 0 1.5292 -1.0917 0.0000 N 0 0 3 0 0 0 0 0 0 1.5375 -1.9167 0.0000 C 0 0 0 0 0 0 0 0 0 2.2542 -2.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0.8250 -2.3375 0.0000 C 0 0 0 0 0 0 0 0 0 4.3917 -1.9042 0.0000 C 0 0 3 0 0 0 0 0 0 2.9625 -1.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0.1125 -1.9250 0.0000 C 0 0 0 0 0 0 0 0 0 1.5375 -3.5750 0.0000 N 0 0 0 0 0 0 0 0 0 3.6792 -2.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0.8250 -3.1625 0.0000 C 0 0 0 0 0 0 0 0 0 2.9542 -0.2667 0.0000 C 0 0 0 0 0 0 0 0 0 2.2542 -3.1542 0.0000 C 0 0 0 0 0 0 0 0 0 1.8250 0.0458 0.0000 O 0 0 0 0 0 0 0 0 0 2.6500 -1.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0.8125 -0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0.1125 -1.1000 0.0000 O 0 0 0 0 0 0 0 0 0 3.6792 -3.1542 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6083 -2.3375 0.0000 N 0 0 0 0 0 0 0 0 0 5.0417 -1.5250 0.0000 F 0 0 0 0 0 0 0 0 0 3.9750 -1.1875 0.0000 F 0 0 0 0 0 0 0 0 0 4.8000 -2.6167 0.0000 F 0 0 0 0 0 0 0 0 0 2.9667 -3.5667 0.0000 C 0 0 0 0 0 0 0 0 0 3.6667 -0.6917 0.0000 C 0 0 0 0 0 0 0 0 0 2.9667 0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 4.3917 0.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0.8042 0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 3.6792 0.9583 0.0000 C 0 0 0 0 0 0 0 0 0 4.3875 -0.2917 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3208 -1.9250 0.0000 O 0 0 0 0 0 0 0 0 0 5.1167 0.9375 0.0000 O 0 0 0 0 0 0 0 0 0 0.0917 0.5458 0.0000 C 0 0 0 0 0 0 0 0 0 1.5250 0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 5.8250 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 1.5125 1.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0.0875 1.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0.7917 1.7833 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 2 0 0 0 5 3 1 0 0 0 6 10 1 0 0 0 7 4 1 0 0 0 8 5 1 0 0 0 9 11 1 0 0 0 10 7 2 0 0 0 11 5 2 0 0 0 12 1 1 0 0 0 13 4 1 0 0 0 14 1 2 0 0 0 15 1 2 0 0 0 16 2 1 0 0 0 17 8 2 0 0 0 18 23 2 0 0 0 19 8 1 0 0 0 20 6 1 0 0 0 21 6 1 0 0 0 22 6 1 0 0 0 23 13 1 0 0 0 24 12 2 0 0 0 25 12 1 0 0 0 26 28 1 0 0 0 27 16 1 0 0 0 28 25 2 0 0 0 29 24 1 0 0 0 30 19 1 0 0 0 31 26 1 0 0 0 32 27 2 0 0 0 33 27 1 0 0 0 34 31 1 0 0 0 35 33 2 0 0 0 36 32 1 0 0 0 37 35 1 0 0 0 26 29 2 0 0 0 9 13 2 0 0 0 36 37 2 0 0 0 10 18 1 0 0 0 M END > 8.15490195998574 > 6.76447155309245 $$$$ 11280715172D 1 1.00000 0.00000 0 31 33 0 1 0 999 V2000 2.5542 -0.9667 0.0000 S 0 0 3 0 0 0 0 0 0 2.5167 -1.6167 0.0000 N 0 0 3 0 0 0 0 0 0 2.9375 -2.0375 0.0000 C 0 0 2 0 0 0 0 0 0 2.9292 -2.6250 0.0000 C 0 0 3 0 0 0 0 0 0 2.0042 -1.9167 0.0000 C 0 0 0 0 0 0 0 0 0 2.0292 -2.6167 0.0000 C 0 0 3 0 0 0 0 0 0 3.5000 -1.8792 0.0000 C 0 0 0 0 0 0 0 0 0 2.6792 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 1.9917 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 3.0917 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 3.4917 -1.4042 0.0000 O 0 0 0 0 0 0 0 0 0 4.0042 -2.1667 0.0000 N 0 0 0 0 0 0 0 0 0 3.2542 -0.3292 0.0000 C 0 0 0 0 0 0 0 0 0 2.3125 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 3.3417 -3.6250 0.0000 S 0 0 0 0 0 0 0 0 0 3.3417 -3.0375 0.0000 C 0 0 0 0 0 0 0 0 0 3.1042 0.6833 0.0000 C 0 0 0 0 0 0 0 0 0 2.5292 0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 3.4750 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 1.5292 -2.6167 0.0000 C 0 0 0 0 0 0 0 0 0 1.8042 -3.0917 0.0000 C 0 0 0 0 0 0 0 0 0 4.5917 -2.1667 0.0000 O 0 0 0 0 0 0 0 0 0 3.3167 1.2250 0.0000 O 0 0 0 0 0 0 0 0 0 3.8417 -4.5042 0.0000 C 0 0 0 0 0 0 0 0 0 3.8417 -3.9167 0.0000 C 0 0 0 0 0 0 0 0 0 3.9000 1.3208 0.0000 C 0 0 0 0 0 0 0 0 0 3.3292 -4.7917 0.0000 C 0 0 0 0 0 0 0 0 0 4.3417 -4.8000 0.0000 C 0 0 0 0 0 0 0 0 0 4.3417 -5.3792 0.0000 C 0 0 0 0 0 0 0 0 0 3.3250 -5.3792 0.0000 C 0 0 0 0 0 0 0 0 0 3.8292 -5.6792 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 3 4 1 1 0 0 5 2 1 0 0 0 6 5 1 0 0 0 7 3 1 0 0 0 8 1 1 0 0 0 9 1 2 0 0 0 10 1 2 0 0 0 11 7 2 0 0 0 12 7 1 0 0 0 13 8 2 0 0 0 14 8 1 0 0 0 15 16 1 0 0 0 16 4 1 0 0 0 17 18 1 0 0 0 18 14 2 0 0 0 19 13 1 0 0 0 20 6 1 0 0 0 21 6 1 0 0 0 22 12 1 0 0 0 23 17 1 0 0 0 24 25 1 0 0 0 25 15 1 0 0 0 26 23 1 0 0 0 27 24 2 0 0 0 28 24 1 0 0 0 29 28 2 0 0 0 30 27 1 0 0 0 31 29 1 0 0 0 17 19 2 0 0 0 4 6 1 0 0 0 31 30 2 0 0 0 M END > 8.25963731050576 > 6.70333480973847 $$$$ 11280715512D 1 1.00000 0.00000 0 33 34 0 1 0 999 V2000 13.9098 -10.1055 0.0000 C 0 0 0 0 0 0 0 0 0 13.9086 -10.9322 0.0000 C 0 0 0 0 0 0 0 0 0 14.6230 -11.3448 0.0000 C 0 0 0 0 0 0 0 0 0 15.3389 -10.9318 0.0000 C 0 0 0 0 0 0 0 0 0 15.3360 -10.1018 0.0000 C 0 0 0 0 0 0 0 0 0 14.6212 -9.6930 0.0000 C 0 0 0 0 0 0 0 0 0 13.1902 -11.3564 0.0000 S 0 0 3 0 0 0 0 0 0 12.4664 -11.7793 0.0000 N 0 0 3 0 0 0 0 0 0 13.6153 -12.0766 0.0000 O 0 0 0 0 0 0 0 0 0 12.7626 -10.6351 0.0000 O 0 0 0 0 0 0 0 0 0 11.7424 -11.3737 0.0000 C 0 0 2 0 0 0 0 0 0 11.0333 -11.7932 0.0000 C 0 0 3 0 0 0 0 0 0 11.0419 -12.6240 0.0000 S 0 0 0 0 0 0 0 0 0 11.7741 -13.0255 0.0000 C 0 0 2 0 0 0 0 0 0 12.4813 -12.6086 0.0000 C 0 0 0 0 0 0 0 0 0 11.7273 -10.5494 0.0000 C 0 0 0 0 0 0 0 0 0 12.4296 -10.1250 0.0000 O 0 0 0 0 0 0 0 0 0 11.0017 -10.1453 0.0000 N 0 0 0 0 0 0 0 0 0 10.9908 -9.3208 0.0000 O 0 0 0 0 0 0 0 0 0 16.0532 -9.6808 0.0000 O 0 0 0 0 0 0 0 0 0 16.7672 -10.0985 0.0000 C 0 0 0 0 0 0 0 0 0 16.7571 -10.9238 0.0000 C 0 0 0 0 0 0 0 0 0 16.7528 -11.7544 0.0000 C 0 0 0 0 0 0 0 0 0 16.7437 -12.5864 0.0000 C 0 0 0 0 0 0 0 0 0 10.8175 -10.9966 0.0000 C 0 0 0 0 0 0 0 0 0 10.2096 -11.7461 0.0000 C 0 0 0 0 0 0 0 0 0 11.7885 -13.8515 0.0000 C 0 0 0 0 0 0 0 0 0 11.0817 -14.2760 0.0000 C 0 0 0 0 0 0 0 0 0 11.0960 -15.1003 0.0000 N 0 0 3 0 0 0 0 0 0 10.3893 -15.5248 0.0000 C 0 0 0 0 0 0 0 0 0 11.8171 -15.5001 0.0000 C 0 0 0 0 0 0 0 0 0 9.6683 -15.1251 0.0000 C 0 0 0 0 0 0 0 0 0 12.5238 -15.0756 0.0000 C 0 0 0 0 0 0 0 0 0 11 16 1 0 0 0 7 8 1 0 0 0 16 17 2 0 0 0 16 18 1 0 0 0 7 9 2 0 0 0 18 19 1 0 0 0 4 5 1 0 0 0 5 20 1 0 0 0 7 10 2 0 0 0 20 21 1 0 0 0 8 11 1 0 0 0 21 22 1 0 0 0 2 3 1 0 0 0 22 23 3 0 0 0 5 6 2 0 0 0 23 24 1 0 0 0 6 1 1 0 0 0 12 25 1 0 0 0 1 2 2 0 0 0 12 26 1 0 0 0 2 7 1 0 0 0 14 27 1 6 0 0 8 15 1 0 0 0 27 28 1 0 0 0 11 12 1 6 0 0 28 29 1 0 0 0 12 13 1 0 0 0 29 30 1 0 0 0 13 14 1 0 0 0 29 31 1 0 0 0 14 15 1 0 0 0 30 32 1 0 0 0 3 4 2 0 0 0 31 33 1 0 0 0 M END > 7.31875876262441 > 7.48148606012211 $$$$ 11280714562D 1 1.00000 0.00000 0 24 25 0 1 0 999 V2000 2.7125 -1.1250 0.0000 S 0 0 3 0 0 0 0 0 0 3.3125 -1.1250 0.0000 N 0 0 0 0 0 0 0 0 0 3.6042 -0.6042 0.0000 C 0 0 2 0 0 0 0 0 0 4.2042 -0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 2.1125 -1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 2.7042 -0.5250 0.0000 O 0 0 0 0 0 0 0 0 0 2.7042 -1.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0.9167 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0.3167 -1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 4.5125 -1.1167 0.0000 O 0 0 0 0 0 0 0 0 0 1.8000 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 1.8167 -1.6625 0.0000 C 0 0 0 0 0 0 0 0 0 3.3042 -0.0792 0.0000 C 0 0 3 0 0 0 0 0 0 1.2167 -1.6667 0.0000 C 0 0 0 0 0 0 0 0 0 1.2042 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0.0250 -1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0.0042 -0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 4.5042 -0.0792 0.0000 O 0 0 0 0 0 0 0 0 0 -0.5958 -0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5750 -1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8833 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 3.6042 0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 2.7875 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 -1.4833 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 1 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 14 2 0 0 0 9 8 1 0 0 0 10 4 2 0 0 0 11 5 1 0 0 0 12 5 2 0 0 0 3 13 1 1 0 0 14 12 1 0 0 0 15 11 2 0 0 0 16 9 2 0 0 0 17 9 1 0 0 0 18 4 1 0 0 0 19 17 2 0 0 0 20 16 1 0 0 0 21 19 1 0 0 0 22 13 1 0 0 0 23 13 1 0 0 0 24 21 1 0 0 0 8 15 1 0 0 0 20 21 2 0 0 0 M END > 7.95860731484177 > 5.65757731917779 $$$$ 11280714532D 1 1.00000 0.00000 0 34 37 0 0 0 999 V2000 2.4750 0.4958 0.0000 S 0 0 3 0 0 0 0 0 0 1.7667 0.0750 0.0000 N 0 0 3 0 0 0 0 0 0 1.7667 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 1.0542 -1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 2.4875 -1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 1.7667 -2.4042 0.0000 N 0 0 0 0 0 0 0 0 0 2.4875 -1.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0.3417 -0.7542 0.0000 C 0 0 0 0 0 0 0 0 0 1.0542 -1.9917 0.0000 C 0 0 0 0 0 0 0 0 0 3.1917 0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 2.8792 -0.2167 0.0000 O 0 0 0 0 0 0 0 0 0 2.0542 1.2125 0.0000 O 0 0 0 0 0 0 0 0 0 1.0417 0.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0.3417 0.0708 0.0000 O 0 0 0 0 0 0 0 0 0 3.2042 -2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3708 -1.1667 0.0000 N 0 0 0 0 0 0 0 0 0 3.9000 0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 3.2000 1.7208 0.0000 C 0 0 0 0 0 0 0 0 0 3.1917 -0.7417 0.0000 C 0 0 0 0 0 0 0 0 0 4.6292 1.7083 0.0000 C 0 0 0 0 0 0 0 0 0 1.0417 1.3083 0.0000 C 0 0 0 0 0 0 0 0 0 3.9167 2.1250 0.0000 C 0 0 0 0 0 0 0 0 0 4.6167 0.8833 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0833 -0.7542 0.0000 O 0 0 0 0 0 0 0 0 0 5.3500 2.1083 0.0000 O 0 0 0 0 0 0 0 0 0 3.9125 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 3.9167 -1.9792 0.0000 C 0 0 0 0 0 0 0 0 0 3.2042 -3.2250 0.0000 C 0 0 0 0 0 0 0 0 0 1.7542 1.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0.3250 1.7125 0.0000 C 0 0 0 0 0 0 0 0 0 6.0542 1.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0.3167 2.5333 0.0000 C 0 0 0 0 0 0 0 0 0 1.7500 2.5458 0.0000 C 0 0 0 0 0 0 0 0 0 1.0292 2.9583 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 3 2 0 0 0 6 7 2 0 0 0 7 5 1 0 0 0 8 4 1 0 0 0 9 4 2 0 0 0 10 1 1 0 0 0 11 1 2 0 0 0 12 1 2 0 0 0 13 2 1 0 0 0 14 8 2 0 0 0 15 7 1 0 0 0 16 8 1 0 0 0 17 10 2 0 0 0 18 10 1 0 0 0 19 5 1 0 0 0 20 22 1 0 0 0 21 13 1 0 0 0 22 18 2 0 0 0 23 17 1 0 0 0 24 16 1 0 0 0 25 20 1 0 0 0 26 19 2 0 0 0 27 26 1 0 0 0 28 15 1 0 0 0 29 21 2 0 0 0 30 21 1 0 0 0 31 25 1 0 0 0 32 30 2 0 0 0 33 29 1 0 0 0 34 32 1 0 0 0 20 23 2 0 0 0 6 9 1 0 0 0 34 33 2 0 0 0 27 15 2 0 0 0 M END > 7.58502665202918 > 6.81815641205523 $$$$ 11280715462D 1 1.00000 0.00000 0 32 34 0 1 0 999 V2000 3.4667 -2.3125 0.0000 S 0 0 3 0 0 0 0 0 0 3.4667 -3.1417 0.0000 N 0 0 3 0 0 0 0 0 0 2.7542 -3.5542 0.0000 C 0 0 2 0 0 0 0 0 0 2.7500 -4.3792 0.0000 C 0 0 3 0 0 0 0 0 0 2.0375 -3.1417 0.0000 C 0 0 0 0 0 0 0 0 0 4.1917 -3.5542 0.0000 C 0 0 0 0 0 0 0 0 0 3.4750 -1.4875 0.0000 C 0 0 0 0 0 0 0 0 0 4.2917 -2.3042 0.0000 O 0 0 0 0 0 0 0 0 0 2.6417 -2.3042 0.0000 O 0 0 0 0 0 0 0 0 0 5.6417 1.3875 0.0000 C 0 0 0 0 0 0 0 0 0 4.9250 0.9833 0.0000 C 0 0 0 0 0 0 0 0 0 6.3500 0.9708 0.0000 C 0 0 0 0 0 0 0 0 0 3.4667 -4.7917 0.0000 C 0 0 0 0 0 0 0 0 0 2.0417 -2.3167 0.0000 O 0 0 0 0 0 0 0 0 0 4.1875 -4.3792 0.0000 C 0 0 1 0 0 0 0 0 0 1.3250 -3.5500 0.0000 N 0 0 0 0 0 0 0 0 0 4.2167 1.3958 0.0000 C 0 0 0 0 0 0 0 0 0 4.9167 0.1583 0.0000 C 0 0 0 0 0 0 0 0 0 4.1917 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 2.7667 -1.0667 0.0000 C 0 0 0 0 0 0 0 0 0 3.4917 0.9958 0.0000 O 0 0 0 0 0 0 0 0 0 6.3417 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 5.6417 2.2125 0.0000 Cl 0 0 0 0 0 0 0 0 0 3.4917 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 2.7417 -5.2042 0.0000 C 0 0 0 0 0 0 0 0 0 1.9250 -4.3750 0.0000 C 0 0 0 0 0 0 0 0 0 5.6250 -0.2625 0.0000 C 0 0 0 0 0 0 0 0 0 2.7667 -0.2417 0.0000 C 0 0 0 0 0 0 0 0 0 4.2000 -0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 7.0542 -0.2750 0.0000 F 0 0 0 0 0 0 0 0 0 0.6042 -3.1375 0.0000 O 0 0 0 0 0 0 0 0 0 4.9000 -4.8000 0.0000 O 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 3 5 1 6 0 0 6 2 1 0 0 0 7 1 1 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 11 1 0 0 0 11 17 1 0 0 0 12 10 2 0 0 0 13 15 1 0 0 0 14 5 2 0 0 0 15 6 1 0 0 0 16 5 1 0 0 0 17 21 1 0 0 0 18 11 2 0 0 0 19 7 1 0 0 0 20 7 2 0 0 0 21 24 1 0 0 0 22 27 2 0 0 0 23 10 1 0 0 0 24 28 2 0 0 0 25 4 1 0 0 0 26 4 1 0 0 0 27 18 1 0 0 0 28 20 1 0 0 0 29 19 2 0 0 0 30 22 1 0 0 0 31 16 1 0 0 0 15 32 1 6 0 0 24 29 1 0 0 0 13 4 1 0 0 0 22 12 1 0 0 0 M END > 9.30102999566398 > 6.22767829327708 $$$$ 11280715312D 1 1.00000 0.00000 0 31 33 0 1 0 999 V2000 2.0417 -1.3250 0.0000 N 0 0 3 0 0 0 0 0 0 2.0417 -0.7250 0.0000 S 0 0 3 0 0 0 0 0 0 2.7000 -2.7292 0.0000 N 0 0 3 0 0 0 0 0 0 3.3042 -2.7292 0.0000 C 0 0 0 0 0 0 0 0 0 1.5625 -1.6750 0.0000 C 0 0 2 0 0 0 0 0 0 2.5167 -3.3042 0.0000 C 0 0 0 0 0 0 0 0 0 2.3417 -2.2500 0.0000 C 0 0 2 0 0 0 0 0 0 3.4875 -3.3042 0.0000 N 0 0 3 0 0 0 0 0 0 2.5292 -1.6750 0.0000 C 0 0 0 0 0 0 0 0 0 1.7417 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0.9917 -1.4917 0.0000 C 0 0 0 0 0 0 0 0 0 3.0042 -3.6542 0.0000 C 0 0 0 0 0 0 0 0 0 2.5667 -0.4250 0.0000 C 0 0 0 0 0 0 0 0 0 2.0375 -0.1250 0.0000 O 0 0 0 0 0 0 0 0 0 1.4625 -0.5667 0.0000 O 0 0 0 0 0 0 0 0 0 3.6542 -2.2417 0.0000 O 0 0 0 0 0 0 0 0 0 2.0542 -3.4917 0.0000 O 0 0 0 0 0 0 0 0 0 0.8667 -0.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0.5417 -1.8917 0.0000 N 0 0 0 0 0 0 0 0 0 2.5667 0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 3.0875 -0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 4.0542 -3.4875 0.0000 C 0 0 0 0 0 0 0 0 0 3.6042 0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 3.0792 0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 3.6042 -0.4250 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0250 -1.7042 0.0000 O 0 0 0 0 0 0 0 0 0 4.1250 0.4750 0.0000 O 0 0 0 0 0 0 0 0 0 4.6417 0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 5.1625 0.4833 0.0000 C 0 0 0 0 0 0 0 0 0 5.6792 0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 6.2042 0.4833 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 7 3 1 1 0 0 4 3 1 0 0 0 5 1 1 0 0 0 6 3 1 0 0 0 7 9 1 0 0 0 8 4 1 0 0 0 9 1 1 0 0 0 5 10 1 6 0 0 11 5 1 0 0 0 12 6 1 0 0 0 13 2 1 0 0 0 14 2 2 0 0 0 15 2 2 0 0 0 16 4 2 0 0 0 17 6 2 0 0 0 18 11 2 0 0 0 19 11 1 0 0 0 20 13 1 0 0 0 21 13 2 0 0 0 22 8 1 0 0 0 23 25 2 0 0 0 24 20 2 0 0 0 25 21 1 0 0 0 26 19 1 0 0 0 27 23 1 0 0 0 28 27 1 0 0 0 29 28 1 0 0 0 30 29 1 0 0 0 31 30 1 0 0 0 7 10 1 0 0 0 23 24 1 0 0 0 8 12 1 0 0 0 M END > 9.52287874528034 > 6.03621217265444 $$$$ 11280715312D 1 1.00000 0.00000 0 29 31 0 1 0 999 V2000 0.4250 -3.3875 0.0000 N 0 0 3 0 0 0 0 0 0 0.4250 -2.7875 0.0000 S 0 0 3 0 0 0 0 0 0 0.8917 -5.3667 0.0000 S 0 0 3 0 0 0 0 0 0 -0.0583 -3.7375 0.0000 C 0 0 2 0 0 0 0 0 0 1.0792 -4.7917 0.0000 N 0 0 3 0 0 0 0 0 0 0.7250 -4.3125 0.0000 C 0 0 2 0 0 0 0 0 0 0.9125 -3.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0.1250 -4.3125 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6333 -3.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0.9417 -2.4875 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1583 -2.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0.4167 -2.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0.3750 -5.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0.5917 -5.8792 0.0000 O 0 0 0 0 0 0 0 0 0 -0.7583 -2.9667 0.0000 O 0 0 0 0 0 0 0 0 0 1.3792 -5.7167 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0750 -3.9542 0.0000 N 0 0 0 0 0 0 0 0 0 0.9417 -1.8875 0.0000 C 0 0 0 0 0 0 0 0 0 1.4667 -2.7875 0.0000 C 0 0 0 0 0 0 0 0 0 1.6792 -4.7917 0.0000 C 0 0 0 0 0 0 0 0 0 1.8667 -5.3667 0.0000 C 0 0 0 0 0 0 0 0 0 1.9875 -1.8875 0.0000 C 0 0 0 0 0 0 0 0 0 1.9875 -2.4875 0.0000 C 0 0 0 0 0 0 0 0 0 1.4625 -1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 -1.6458 -3.7667 0.0000 O 0 0 0 0 0 0 0 0 0 2.5042 -1.5875 0.0000 O 0 0 0 0 0 0 0 0 0 3.0250 -1.8792 0.0000 C 0 0 0 0 0 0 0 0 0 3.5417 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 4.1167 -1.7375 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 5 1 0 0 0 4 1 1 0 0 0 6 5 1 1 0 0 6 7 1 0 0 0 7 1 1 0 0 0 4 8 1 6 0 0 9 4 1 0 0 0 10 2 1 0 0 0 11 2 2 0 0 0 12 2 2 0 0 0 13 3 2 0 0 0 14 3 2 0 0 0 15 9 2 0 0 0 16 3 1 0 0 0 17 9 1 0 0 0 18 10 1 0 0 0 19 10 2 0 0 0 20 5 1 0 0 0 21 20 1 0 0 0 22 23 2 0 0 0 23 19 1 0 0 0 24 18 2 0 0 0 25 17 1 0 0 0 26 22 1 0 0 0 27 26 1 0 0 0 28 27 1 0 0 0 29 28 1 0 0 0 6 8 1 0 0 0 22 24 1 0 0 0 21 16 1 0 0 0 M END > 9.39794000867204 > 7 $$$$ 11280715162D 1 1.00000 0.00000 0 34 36 0 0 0 999 V2000 5.1292 -3.4917 0.0000 S 0 0 3 0 0 0 0 0 0 4.4042 -3.0792 0.0000 N 0 0 3 0 0 0 0 0 0 3.6917 -3.5042 0.0000 C 0 0 0 0 0 0 0 0 0 2.9667 -3.0875 0.0000 C 0 0 0 0 0 0 0 0 0 2.9667 -2.2542 0.0000 C 0 0 0 0 0 0 0 0 0 5.8500 -3.9042 0.0000 C 0 0 0 0 0 0 0 0 0 5.1292 -4.3167 0.0000 O 0 0 0 0 0 0 0 0 0 5.8500 -3.0750 0.0000 O 0 0 0 0 0 0 0 0 0 4.4042 -2.2542 0.0000 C 0 0 0 0 0 0 0 0 0 3.6917 -4.3292 0.0000 C 0 0 0 0 0 0 0 0 0 3.6875 -1.8417 0.0000 O 0 0 0 0 0 0 0 0 0 2.2542 -1.8417 0.0000 N 0 0 0 0 0 0 0 0 0 6.5542 -3.4917 0.0000 C 0 0 0 0 0 0 0 0 0 5.8417 -4.7292 0.0000 C 0 0 0 0 0 0 0 0 0 5.1167 -1.8292 0.0000 C 0 0 0 0 0 0 0 0 0 7.9792 -0.9792 0.0000 N 0 0 3 0 0 0 0 0 0 7.2667 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 2.2542 -3.5042 0.0000 C 0 0 0 0 0 0 0 0 0 6.5500 -0.9917 0.0000 C 0 0 0 0 0 0 0 0 0 7.2792 -4.7292 0.0000 C 0 0 0 0 0 0 0 0 0 7.2667 -3.9000 0.0000 C 0 0 0 0 0 0 0 0 0 6.5625 -5.1417 0.0000 C 0 0 0 0 0 0 0 0 0 5.1042 -1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 5.8417 -2.2417 0.0000 C 0 0 0 0 0 0 0 0 0 2.2542 -1.0167 0.0000 O 0 0 0 0 0 0 0 0 0 6.5542 -1.8167 0.0000 C 0 0 0 0 0 0 0 0 0 5.8250 -0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 7.9792 -5.1375 0.0000 O 0 0 0 0 0 0 0 0 0 2.2542 -4.3292 0.0000 C 0 0 0 0 0 0 0 0 0 2.9667 -4.7417 0.0000 C 0 0 0 0 0 0 0 0 0 4.4167 -4.7417 0.0000 C 0 0 0 0 0 0 0 0 0 8.7000 -0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 7.9917 -1.8042 0.0000 C 0 0 0 0 0 0 0 0 0 8.7000 -4.7167 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 2 0 0 0 5 4 1 0 0 0 6 1 1 0 0 0 7 1 2 0 0 0 8 1 2 0 0 0 9 2 1 0 0 0 10 3 1 0 0 0 11 5 2 0 0 0 12 5 1 0 0 0 13 6 1 0 0 0 14 6 2 0 0 0 15 9 1 0 0 0 16 17 1 0 0 0 17 19 1 0 0 0 18 4 1 0 0 0 19 26 2 0 0 0 20 22 2 0 0 0 21 13 2 0 0 0 22 14 1 0 0 0 23 15 1 0 0 0 24 15 2 0 0 0 25 12 1 0 0 0 26 24 1 0 0 0 27 23 2 0 0 0 28 20 1 0 0 0 29 30 1 0 0 0 30 10 2 0 0 0 31 10 1 0 0 0 32 16 1 0 0 0 33 16 1 0 0 0 34 28 1 0 0 0 20 21 1 0 0 0 19 27 1 0 0 0 29 18 2 0 0 0 M END > 7.95860731484177 > 6.67162039656126 $$$$ 11280715192D 1 1.00000 0.00000 0 29 31 0 1 0 999 V2000 6.3917 -4.2542 0.0000 S 0 0 3 0 0 0 0 0 0 1.8667 -2.0917 0.0000 N 0 0 0 0 0 0 0 0 0 3.1042 -2.8125 0.0000 C 0 0 0 0 0 0 0 0 0 3.9292 -2.8167 0.0000 N 0 0 0 0 0 0 0 0 0 2.6917 -2.0917 0.0000 N 0 0 0 0 0 0 0 0 0 5.5667 -4.2542 0.0000 N 0 0 0 0 0 0 0 0 0 4.3375 -3.5292 0.0000 C 0 0 0 0 0 0 0 0 0 5.1625 -3.5375 0.0000 C 0 0 2 0 0 0 0 0 0 1.4542 -2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 2.6792 -3.5250 0.0000 S 0 0 0 0 0 0 0 0 0 6.3917 -3.4292 0.0000 O 0 0 0 0 0 0 0 0 0 7.2167 -4.2542 0.0000 O 0 0 0 0 0 0 0 0 0 6.8042 -4.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0.6292 -2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 1.8625 -3.5167 0.0000 C 0 0 0 0 0 0 0 0 0 3.9167 -4.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0.2167 -2.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0.2167 -3.5042 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0083 -2.7917 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5958 -2.0875 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6000 -3.5042 0.0000 C 0 0 0 0 0 0 0 0 0 5.5792 -2.8250 0.0000 C 0 0 0 0 0 0 0 0 0 -1.8333 -2.7875 0.0000 O 0 0 0 0 0 0 0 0 0 7.6250 -4.9750 0.0000 C 0 0 0 0 0 0 0 0 0 6.3792 -5.6792 0.0000 C 0 0 0 0 0 0 0 0 0 -2.2458 -2.0750 0.0000 C 0 0 0 0 0 0 0 0 0 8.0292 -5.6875 0.0000 C 0 0 0 0 0 0 0 0 0 6.7917 -6.4000 0.0000 C 0 0 0 0 0 0 0 0 0 7.6167 -6.4042 0.0000 C 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 3 4 1 0 0 0 4 7 1 0 0 0 5 3 2 0 0 0 6 1 1 0 0 0 7 8 1 0 0 0 8 6 1 0 0 0 9 15 1 0 0 0 10 3 1 0 0 0 11 1 2 0 0 0 12 1 2 0 0 0 13 1 1 0 0 0 14 9 1 0 0 0 15 10 1 0 0 0 16 7 2 0 0 0 17 14 1 0 0 0 18 14 2 0 0 0 19 21 2 0 0 0 20 17 2 0 0 0 21 18 1 0 0 0 8 22 1 6 0 0 23 19 1 0 0 0 24 13 1 0 0 0 25 13 2 0 0 0 26 23 1 0 0 0 27 24 2 0 0 0 28 25 1 0 0 0 29 28 2 0 0 0 27 29 1 0 0 0 2 9 2 0 0 0 20 19 1 0 0 0 M END > 5.87614835903291 > 6.23657200643706 $$$$ 11280715002D 1 1.00000 0.00000 0 39 41 0 0 0 999 V2000 5.2667 -5.2292 0.0000 S 0 0 3 0 0 0 0 0 0 7.8667 -7.9292 0.0000 S 0 0 3 0 0 0 0 0 0 4.7417 -4.9250 0.0000 N 0 0 3 0 0 0 0 0 0 7.8542 -7.3292 0.0000 N 0 0 0 0 0 0 0 0 0 6.8375 -3.1125 0.0000 N 0 3 0 0 0 0 0 0 0 7.3417 -7.0292 0.0000 C 0 0 0 0 0 0 0 0 0 4.2167 -5.2292 0.0000 C 0 0 0 0 0 0 0 0 0 3.6917 -4.9250 0.0000 C 0 0 0 0 0 0 0 0 0 5.7792 -5.5292 0.0000 C 0 0 0 0 0 0 0 0 0 7.8542 -8.5375 0.0000 C 0 0 0 0 0 0 0 0 0 4.9667 -5.7542 0.0000 O 0 0 0 0 0 0 0 0 0 5.5792 -4.7125 0.0000 O 0 0 0 0 0 0 0 0 0 6.3125 -3.4167 0.0000 C 0 0 0 0 0 0 0 0 0 8.4667 -7.9292 0.0000 O 0 0 0 0 0 0 0 0 0 7.2625 -7.9292 0.0000 O 0 0 0 0 0 0 0 0 0 7.3417 -6.4250 0.0000 N 0 0 0 0 0 0 0 0 0 7.3542 -3.4167 0.0000 O 0 5 0 0 0 0 0 0 0 4.7417 -4.3167 0.0000 C 0 0 0 0 0 0 0 0 0 6.8375 -2.5042 0.0000 O 0 0 0 0 0 0 0 0 0 6.8167 -7.3292 0.0000 O 0 0 0 0 0 0 0 0 0 3.1792 -5.2292 0.0000 O 0 0 0 0 0 0 0 0 0 3.6917 -4.3167 0.0000 N 0 0 0 0 0 0 0 0 0 6.3000 -5.2292 0.0000 C 0 0 0 0 0 0 0 0 0 5.7792 -6.1167 0.0000 C 0 0 0 0 0 0 0 0 0 8.3750 -8.8375 0.0000 C 0 0 0 0 0 0 0 0 0 7.3292 -8.8292 0.0000 C 0 0 0 0 0 0 0 0 0 6.3125 -4.0167 0.0000 C 0 0 0 0 0 0 0 0 0 5.7792 -3.1125 0.0000 C 0 0 0 0 0 0 0 0 0 6.8167 -6.1167 0.0000 C 0 0 0 0 0 0 0 0 0 5.2667 -4.0167 0.0000 C 0 0 0 0 0 0 0 0 0 7.8417 -9.7292 0.0000 C 0 0 0 0 0 0 0 0 0 6.8167 -5.5250 0.0000 C 0 0 0 0 0 0 0 0 0 6.3000 -6.4250 0.0000 C 0 0 0 0 0 0 0 0 0 5.7917 -4.3167 0.0000 C 0 0 0 0 0 0 0 0 0 5.2667 -3.4167 0.0000 C 0 0 0 0 0 0 0 0 0 7.3292 -9.4292 0.0000 C 0 0 0 0 0 0 0 0 0 8.3750 -9.4292 0.0000 C 0 0 0 0 0 0 0 0 0 7.8417 -10.3375 0.0000 F 0 0 0 0 0 0 0 0 0 3.1792 -4.0167 0.0000 O 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 3 1 1 0 0 0 4 6 1 0 0 0 5 13 1 0 0 0 6 16 1 0 0 0 7 3 1 0 0 0 8 7 1 0 0 0 9 1 1 0 0 0 10 2 1 0 0 0 11 1 2 0 0 0 12 1 2 0 0 0 13 28 1 0 0 0 14 2 2 0 0 0 15 2 2 0 0 0 16 29 1 0 0 0 17 5 1 0 0 0 18 3 1 0 0 0 19 5 2 0 0 0 20 6 2 0 0 0 21 8 2 0 0 0 22 8 1 0 0 0 23 9 1 0 0 0 24 9 2 0 0 0 25 10 1 0 0 0 26 10 2 0 0 0 27 34 1 0 0 0 28 35 2 0 0 0 29 33 2 0 0 0 30 18 1 0 0 0 31 36 2 0 0 0 32 23 2 0 0 0 33 24 1 0 0 0 34 30 2 0 0 0 35 30 1 0 0 0 36 26 1 0 0 0 37 25 2 0 0 0 38 31 1 0 0 0 39 22 1 0 0 0 29 32 1 0 0 0 27 13 2 0 0 0 37 31 1 0 0 0 M CHG 2 5 1 17 -1 M END > 7.74472749489669 > 7.74472749489669 $$$$ 11280715002D 1 1.00000 0.00000 0 28 29 0 0 0 999 V2000 5.7000 -7.2250 0.0000 S 0 0 3 0 0 0 0 0 0 5.1750 -6.9250 0.0000 N 0 0 3 0 0 0 0 0 0 6.2167 -7.5250 0.0000 C 0 0 0 0 0 0 0 0 0 7.2625 -5.1125 0.0000 N 0 3 0 0 0 0 0 0 0 4.6542 -7.2250 0.0000 C 0 0 0 0 0 0 0 0 0 6.2167 -8.1292 0.0000 C 0 0 0 0 0 0 0 0 0 6.7292 -7.2167 0.0000 C 0 0 0 0 0 0 0 0 0 4.1292 -6.9250 0.0000 C 0 0 0 0 0 0 0 0 0 6.0042 -6.7042 0.0000 O 0 0 0 0 0 0 0 0 0 5.3917 -7.7417 0.0000 O 0 0 0 0 0 0 0 0 0 6.7500 -5.4125 0.0000 C 0 0 0 0 0 0 0 0 0 7.7917 -5.4125 0.0000 O 0 5 0 0 0 0 0 0 0 5.1750 -6.3167 0.0000 C 0 0 0 0 0 0 0 0 0 7.2625 -4.5042 0.0000 O 0 0 0 0 0 0 0 0 0 7.2625 -7.5167 0.0000 C 0 0 0 0 0 0 0 0 0 6.7417 -8.4292 0.0000 C 0 0 0 0 0 0 0 0 0 3.6042 -7.2250 0.0000 O 0 0 0 0 0 0 0 0 0 7.2625 -8.1292 0.0000 C 0 0 0 0 0 0 0 0 0 4.1292 -6.3167 0.0000 N 0 0 0 0 0 0 0 0 0 6.2167 -5.1125 0.0000 C 0 0 0 0 0 0 0 0 0 6.7500 -6.0167 0.0000 C 0 0 0 0 0 0 0 0 0 5.7000 -6.0167 0.0000 C 0 0 0 0 0 0 0 0 0 5.7000 -5.4125 0.0000 C 0 0 0 0 0 0 0 0 0 6.2167 -6.3167 0.0000 C 0 0 0 0 0 0 0 0 0 3.6042 -6.0167 0.0000 O 0 0 0 0 0 0 0 0 0 6.7292 -6.6167 0.0000 C 0 0 0 0 0 0 0 0 0 5.6917 -8.4292 0.0000 C 0 0 0 0 0 0 0 0 0 7.7875 -8.4292 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 11 1 0 0 0 5 2 1 0 0 0 6 3 2 0 0 0 7 3 1 0 0 0 8 5 1 0 0 0 9 1 2 0 0 0 10 1 2 0 0 0 11 21 2 0 0 0 12 4 1 0 0 0 13 2 1 0 0 0 14 4 2 0 0 0 15 7 2 0 0 0 16 6 1 0 0 0 17 8 2 0 0 0 18 15 1 0 0 0 19 8 1 0 0 0 20 23 2 0 0 0 21 24 1 0 0 0 22 13 1 0 0 0 23 22 1 0 0 0 24 22 2 0 0 0 25 19 1 0 0 0 26 7 1 0 0 0 27 6 1 0 0 0 28 18 1 0 0 0 16 18 2 0 0 0 11 20 1 0 0 0 M CHG 2 4 1 12 -1 M END > 7.61978875828839 > 7.61978875828839 $$$$ 11290715552D 1 1.00000 0.00000 0 25 26 0 1 0 999 V2000 1.1637 -12.6565 0.0000 N 0 0 0 0 0 0 0 0 0 1.8747 -12.2380 0.0000 C 0 0 1 0 0 0 0 0 0 1.8678 -11.4131 0.0000 C 0 0 3 0 0 0 0 0 0 2.5788 -10.9946 0.0000 C 0 0 0 0 0 0 0 0 0 1.1499 -11.0066 0.0000 C 0 0 0 0 0 0 0 0 0 2.5926 -12.6445 0.0000 P 0 0 3 0 0 0 0 0 0 3.1750 -13.2250 0.0000 O 0 0 0 0 0 0 0 0 0 3.0916 -11.9875 0.0000 O 0 0 0 0 0 0 0 0 0 2.0966 -13.3038 0.0000 O 0 0 0 0 0 0 0 0 0 0.4458 -12.2500 0.0000 S 0 0 3 0 0 0 0 0 0 -0.2708 -11.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0.0368 -12.9665 0.0000 O 0 0 0 0 0 0 0 0 0 0.8565 -11.5345 0.0000 O 0 0 0 0 0 0 0 0 0 -0.2692 -11.0053 0.0000 C 0 0 0 0 0 0 0 0 0 -0.9850 -10.5929 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7015 -11.0074 0.0000 C 0 0 0 0 0 0 0 0 0 -1.6978 -11.8386 0.0000 C 0 0 0 0 0 0 0 0 0 -0.9814 -12.2472 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4171 -10.5968 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4170 -9.7675 0.0000 C 0 0 0 0 0 0 0 0 0 -3.1317 -9.3570 0.0000 C 0 0 0 0 0 0 0 0 0 -3.8460 -9.7714 0.0000 C 0 0 0 0 0 0 0 0 0 -3.8412 -10.6007 0.0000 C 0 0 0 0 0 0 0 0 0 -3.1259 -11.0075 0.0000 C 0 0 0 0 0 0 0 0 0 -4.5621 -9.3618 0.0000 F 0 0 0 0 0 0 0 0 0 10 13 2 0 0 0 6 7 2 0 0 0 11 14 2 0 0 0 3 4 1 0 0 0 14 15 1 0 0 0 6 8 1 0 0 0 15 16 2 0 0 0 16 17 1 0 0 0 6 9 1 0 0 0 17 18 2 0 0 0 18 11 1 0 0 0 3 5 1 0 0 0 16 19 1 0 0 0 1 10 1 0 0 0 19 20 2 0 0 0 2 3 1 1 0 0 20 21 1 0 0 0 10 11 1 0 0 0 21 22 2 0 0 0 2 6 1 0 0 0 22 23 1 0 0 0 10 12 2 0 0 0 23 24 2 0 0 0 24 19 1 0 0 0 1 2 1 0 0 0 22 25 1 0 0 0 M END > 7.88605664769316 > 6.79588001734407 $$$$ 11280715202D 1 1.00000 0.00000 0 28 30 0 0 0 999 V2000 0.0917 0.8958 0.0000 S 0 0 3 0 0 0 0 0 0 -1.3458 0.9083 0.0000 C 0 0 3 0 0 0 0 0 0 -0.6333 1.3208 0.0000 N 0 0 0 0 0 0 0 0 0 -2.0583 1.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0.8125 0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0.5167 1.6125 0.0000 O 0 0 0 0 0 0 0 0 0 -0.3333 0.1708 0.0000 O 0 0 0 0 0 0 0 0 0 -2.0583 2.1458 0.0000 O 0 0 0 0 0 0 0 0 0 2.9625 -0.7792 0.0000 S 0 0 0 0 0 0 0 0 0 -2.7708 0.9083 0.0000 N 0 0 0 0 0 0 0 0 0 -0.6250 0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 -2.0625 0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3458 -0.7542 0.0000 O 0 0 0 0 0 0 0 0 0 0.8125 -0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 1.5250 0.8833 0.0000 C 0 0 0 0 0 0 0 0 0 2.2417 -0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 2.9542 -1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 2.9542 -3.2667 0.0000 C 0 0 0 0 0 0 0 0 0 2.2417 0.4708 0.0000 C 0 0 0 0 0 0 0 0 0 1.5250 -0.7750 0.0000 C 0 0 0 0 0 0 0 0 0 2.9500 -4.0917 0.0000 F 0 0 0 0 0 0 0 0 0 -2.7708 0.0750 0.0000 O 0 0 0 0 0 0 0 0 0 3.6750 -2.0250 0.0000 C 0 0 0 0 0 0 0 0 0 2.2375 -2.0167 0.0000 C 0 0 0 0 0 0 0 0 0 2.2375 -2.8500 0.0000 C 0 0 0 0 0 0 0 0 0 3.6750 -2.8500 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6333 -0.3417 0.0000 C 0 0 0 0 0 0 0 0 0 -2.0625 -0.3375 0.0000 C 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 3 1 1 0 0 0 4 2 1 0 0 0 5 1 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 4 2 0 0 0 9 16 1 0 0 0 10 4 1 0 0 0 11 2 1 0 0 0 12 2 1 0 0 0 13 28 1 0 0 0 14 5 2 0 0 0 15 5 1 0 0 0 16 19 1 0 0 0 17 9 1 0 0 0 18 25 2 0 0 0 19 15 2 0 0 0 20 14 1 0 0 0 21 18 1 0 0 0 22 10 1 0 0 0 23 17 1 0 0 0 24 17 2 0 0 0 25 24 1 0 0 0 26 23 2 0 0 0 27 11 1 0 0 0 28 12 1 0 0 0 16 20 2 0 0 0 27 13 1 0 0 0 18 26 1 0 0 0 M END > 8.33724216831843 > 5.22914798835786 $$$$ 11280715172D 1 1.00000 0.00000 0 38 40 0 0 0 999 V2000 6.8792 -5.2667 0.0000 S 0 0 3 0 0 0 0 0 0 6.2792 -5.2667 0.0000 N 0 0 3 0 0 0 0 0 0 5.9792 -5.7792 0.0000 C 0 0 3 0 0 0 0 0 0 6.2750 -6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 5.8542 -4.8417 0.0000 C 0 0 0 0 0 0 0 0 0 6.8792 -4.6667 0.0000 C 0 0 0 0 0 0 0 0 0 5.2542 -4.8375 0.0000 C 0 0 0 0 0 0 0 0 0 6.8792 -5.8667 0.0000 O 0 0 0 0 0 0 0 0 0 7.4792 -5.2750 0.0000 O 0 0 0 0 0 0 0 0 0 4.9542 -4.3167 0.0000 N 0 0 0 0 0 0 0 0 0 6.8542 -6.4542 0.0000 O 0 0 0 0 0 0 0 0 0 6.1167 -6.8792 0.0000 N 0 0 0 0 0 0 0 0 0 4.0375 -2.7542 0.0000 N 0 0 0 0 0 0 0 0 0 4.9542 -5.3542 0.0000 O 0 0 0 0 0 0 0 0 0 5.3917 -5.9375 0.0000 C 0 0 0 0 0 0 0 0 0 6.3625 -4.3667 0.0000 C 0 0 0 0 0 0 0 0 0 7.4000 -4.3667 0.0000 C 0 0 0 0 0 0 0 0 0 4.9417 -3.2750 0.0000 C 0 0 0 0 0 0 0 0 0 5.2500 -3.7917 0.0000 C 0 0 0 0 0 0 0 0 0 6.8792 -3.4667 0.0000 C 0 0 0 0 0 0 0 0 0 7.4000 -3.7667 0.0000 C 0 0 0 0 0 0 0 0 0 6.3625 -3.7667 0.0000 C 0 0 0 0 0 0 0 0 0 4.5042 -6.6042 0.0000 S 0 0 0 0 0 0 0 0 0 6.1125 -7.4792 0.0000 O 0 0 0 0 0 0 0 0 0 4.3417 -3.2792 0.0000 C 0 0 0 0 0 0 0 0 0 6.8750 -2.8667 0.0000 O 0 0 0 0 0 0 0 0 0 3.7667 -7.3417 0.0000 C 0 0 0 0 0 0 0 0 0 5.0917 -6.4542 0.0000 C 0 0 0 0 0 0 0 0 0 4.3375 -2.2292 0.0000 C 0 0 0 0 0 0 0 0 0 4.3500 -7.1875 0.0000 C 0 0 0 0 0 0 0 0 0 5.2417 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 7.3917 -2.5625 0.0000 C 0 0 0 0 0 0 0 0 0 3.6042 -7.9167 0.0000 C 0 0 0 0 0 0 0 0 0 3.3417 -6.9042 0.0000 C 0 0 0 0 0 0 0 0 0 4.9417 -2.2292 0.0000 C 0 0 0 0 0 0 0 0 0 2.7542 -7.0625 0.0000 C 0 0 0 0 0 0 0 0 0 3.0292 -8.0750 0.0000 C 0 0 0 0 0 0 0 0 0 2.6000 -7.6417 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 2 1 0 0 0 6 1 1 0 0 0 7 5 1 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 7 1 0 0 0 11 4 2 0 0 0 12 4 1 0 0 0 13 25 2 0 0 0 14 7 2 0 0 0 15 3 1 0 0 0 16 6 1 0 0 0 17 6 2 0 0 0 18 19 1 0 0 0 19 10 1 0 0 0 20 21 2 0 0 0 21 17 1 0 0 0 22 16 2 0 0 0 23 28 1 0 0 0 24 12 1 0 0 0 25 18 1 0 0 0 26 20 1 0 0 0 27 30 1 0 0 0 28 15 1 0 0 0 29 35 2 0 0 0 30 23 1 0 0 0 31 18 2 0 0 0 32 26 1 0 0 0 33 27 1 0 0 0 34 27 2 0 0 0 35 31 1 0 0 0 36 34 1 0 0 0 37 33 2 0 0 0 38 36 2 0 0 0 22 20 1 0 0 0 13 29 1 0 0 0 38 37 1 0 0 0 M 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0.0000 C 0 0 0 0 0 0 0 0 0 1.8750 -2.2917 0.0000 C 0 0 0 0 0 0 0 0 0 7.9250 -1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 8.5250 -4.3167 0.0000 C 0 0 0 0 0 0 0 0 0 9.9542 -4.2917 0.0000 C 0 0 0 0 0 0 0 0 0 9.9667 -5.1167 0.0000 C 0 0 0 0 0 0 0 0 0 8.5292 -5.1375 0.0000 C 0 0 0 0 0 0 0 0 0 9.2542 -5.5417 0.0000 C 0 0 0 0 0 0 0 0 0 8.7625 -2.0875 0.0000 H 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 3 4 1 0 0 0 4 7 1 0 0 0 5 3 2 0 0 0 6 1 1 0 0 0 7 8 1 0 0 0 8 6 1 0 0 0 9 17 1 0 0 0 10 3 1 0 0 0 11 15 3 0 0 0 12 1 2 0 0 0 13 1 2 0 0 0 14 1 1 0 0 0 15 21 1 0 0 0 16 9 1 0 0 0 17 10 1 0 0 0 18 7 2 0 0 0 19 16 1 0 0 0 20 16 2 0 0 0 21 22 2 0 0 0 22 20 1 0 0 0 23 19 2 0 0 0 8 24 1 1 0 0 25 14 2 0 0 0 26 14 1 0 0 0 27 26 2 0 0 0 28 25 1 0 0 0 29 27 1 0 0 0 8 30 1 6 0 0 28 29 2 0 0 0 2 9 2 0 0 0 23 21 1 0 0 0 M END > 6.67778070526608 > 6.39794000867204 $$$$ SciTegic11161115462D 27 29 0 0 0 0 999 V2000 5.4113 2.1664 0.0000 C 0 0 4.6951 1.7549 0.0000 C 0 0 4.6933 0.9335 0.0000 C 0 0 5.4061 0.5173 0.0000 O 0 0 6.1223 0.9288 0.0000 C 0 0 6.1257 1.7564 0.0000 C 0 0 6.1257 2.5790 0.0000 S 0 0 6.5380 3.2936 0.0000 O 0 0 5.7130 3.2934 0.0000 O 0 0 6.8402 2.1667 0.0000 C 0 0 6.8391 1.3393 0.0000 C 0 0 7.5539 0.9265 0.0000 C 0 0 8.2703 1.3398 0.0000 C 0 0 8.2675 2.1703 0.0000 C 0 0 7.5521 2.5795 0.0000 C 0 0 8.9855 0.9284 0.0000 O 0 0 4.6967 2.5787 0.0000 C 0 0 4.6965 3.4037 0.0000 O 0 0 3.9824 2.1660 0.0000 N 0 0 3.2678 2.5783 0.0000 O 0 0 9.6993 1.3421 0.0000 C 0 0 10.4110 0.9302 0.0000 C 0 0 11.1244 1.3432 0.0000 C 0 0 11.1235 2.1691 0.0000 C 0 0 10.4034 2.5803 0.0000 C 0 0 9.6930 2.1650 0.0000 C 0 0 11.8393 0.9314 0.0000 Cl 0 0 7 9 2 0 14 15 2 0 15 10 1 0 13 16 1 0 10 7 1 0 7 1 1 0 1 2 1 0 1 17 1 0 1 6 1 0 17 18 2 0 2 3 1 0 17 19 1 0 3 4 1 0 19 20 1 0 10 11 2 0 16 21 1 0 4 5 1 0 21 22 2 0 11 12 1 0 22 23 1 0 5 6 1 0 23 24 2 0 12 13 2 0 24 25 1 0 8 7 2 0 25 26 2 0 26 21 1 0 13 14 1 0 23 27 1 0 M END > 9.34678748622466 > 5.74472749489669 $$$$ 11280715072D 1 1.00000 0.00000 0 40 42 0 1 0 999 V2000 5.3792 -2.5917 0.0000 N 0 0 0 0 0 0 0 0 0 4.6667 -3.0125 0.0000 C 0 0 0 0 0 0 0 0 0 2.5250 -2.6125 0.0000 P 0 0 3 0 0 0 0 0 0 3.9500 -2.6042 0.0000 C 0 0 3 0 0 0 0 0 0 6.0917 -3.0042 0.0000 C 0 0 2 0 0 0 0 0 0 6.8042 -2.5875 0.0000 C 0 0 0 0 0 0 0 0 0 3.2375 -3.0167 0.0000 C 0 0 0 0 0 0 0 0 0 6.1000 -3.8292 0.0000 C 0 0 3 0 0 0 0 0 0 2.5167 -1.7875 0.0000 O 0 0 0 0 0 0 0 0 0 4.6667 -3.8375 0.0000 O 0 0 0 0 0 0 0 0 0 3.9417 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 6.8042 -1.7625 0.0000 O 0 0 0 0 0 0 0 0 0 1.8125 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 7.5250 -3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 2.5167 -3.4375 0.0000 O 0 0 0 0 0 0 0 0 0 1.0917 -2.6167 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3333 -1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 4.6417 1.1083 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0500 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 4.6542 -0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 4.6542 -1.3625 0.0000 C 0 0 0 0 0 0 0 0 0 4.6417 1.9333 0.0000 Br 0 0 0 0 0 0 0 0 0 3.9292 0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 5.3625 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 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0 0 0 27 26 2 0 0 0 28 16 2 0 0 0 29 20 1 0 0 0 30 20 2 0 0 0 31 19 1 0 0 0 32 8 1 0 0 0 33 8 1 0 0 0 34 8 1 0 0 0 35 14 1 0 0 0 36 31 1 0 0 0 37 31 2 0 0 0 38 36 2 0 0 0 39 37 1 0 0 0 40 39 2 0 0 0 18 23 1 0 0 0 17 27 1 0 0 0 40 38 1 0 0 0 M END > 8.0268721464003 > 5.85387196432176 $$$$ 11280714532D 1 1.00000 0.00000 0 38 42 0 0 0 999 V2000 1.6292 0.8333 0.0000 S 0 0 3 0 0 0 0 0 0 1.6375 -0.8167 0.0000 C 0 0 0 0 0 0 0 0 0 1.6417 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0.9250 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0.9167 0.4125 0.0000 N 0 0 3 0 0 0 0 0 0 2.4292 -1.9000 0.0000 N 0 0 3 0 0 0 0 0 0 2.9125 -1.2292 0.0000 N 0 0 0 0 0 0 0 0 0 0.2125 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0.9250 -2.0667 0.0000 N 0 0 0 0 0 0 0 0 0 2.4167 -0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5000 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0.2125 -1.6542 0.0000 C 0 0 0 0 0 0 0 0 0 2.3417 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 1.2125 1.5500 0.0000 O 0 0 0 0 0 0 0 0 0 2.0375 0.1208 0.0000 O 0 0 0 0 0 0 0 0 0 0.2000 0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 2.6917 -2.6792 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5000 0.4083 0.0000 O 0 0 0 0 0 0 0 0 0 0.9042 2.8958 0.0000 N 0 0 0 0 0 0 0 0 0 -1.2208 -0.8292 0.0000 N 0 0 0 0 0 0 0 0 0 0.1917 1.6458 0.0000 C 0 0 0 0 0 0 0 0 0 3.0542 0.8125 0.0000 C 0 0 0 0 0 0 0 0 0 2.3542 2.0583 0.0000 C 0 0 0 0 0 0 0 0 0 3.7792 2.0458 0.0000 C 0 0 0 0 0 0 0 0 0 3.0667 2.4625 0.0000 C 0 0 0 0 0 0 0 0 0 3.7750 1.2208 0.0000 C 0 0 0 0 0 0 0 0 0 -1.9333 -0.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0.9125 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 4.4917 2.4583 0.0000 O 0 0 0 0 0 0 0 0 0 0.1875 3.2958 0.0000 C 0 0 0 0 0 0 0 0 0 2.1417 -3.2917 0.0000 C 0 0 0 0 0 0 0 0 0 3.4917 -2.8417 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5208 2.0500 0.0000 C 0 0 0 0 0 0 0 0 0 5.2125 2.0583 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5250 2.8708 0.0000 C 0 0 0 0 0 0 0 0 0 3.7542 -3.6250 0.0000 C 0 0 0 0 0 0 0 0 0 2.4000 -4.0792 0.0000 C 0 0 0 0 0 0 0 0 0 3.2042 -4.2417 0.0000 C 0 0 0 0 0 0 0 0 0 2 4 2 0 0 0 3 2 1 0 0 0 4 5 1 0 0 0 5 1 1 0 0 0 6 3 1 0 0 0 7 10 2 0 0 0 8 4 1 0 0 0 9 12 1 0 0 0 10 2 1 0 0 0 11 8 1 0 0 0 12 8 2 0 0 0 13 1 1 0 0 0 14 1 2 0 0 0 15 1 2 0 0 0 16 5 1 0 0 0 17 6 1 0 0 0 18 11 2 0 0 0 19 28 1 0 0 0 20 11 1 0 0 0 21 16 1 0 0 0 22 13 2 0 0 0 23 13 1 0 0 0 24 25 1 0 0 0 25 23 2 0 0 0 26 22 1 0 0 0 27 20 1 0 0 0 28 21 2 0 0 0 29 24 1 0 0 0 30 35 1 0 0 0 31 17 2 0 0 0 32 17 1 0 0 0 33 21 1 0 0 0 34 29 1 0 0 0 35 33 2 0 0 0 36 32 2 0 0 0 37 31 1 0 0 0 38 36 1 0 0 0 24 26 2 0 0 0 9 3 2 0 0 0 7 6 1 0 0 0 30 19 2 0 0 0 38 37 2 0 0 0 M END > 7.69897000433602 > 6.0395292224657 $$$$ 11280714562D 1 1.00000 0.00000 0 24 25 0 1 0 999 V2000 2.7125 -1.1250 0.0000 S 0 0 3 0 0 0 0 0 0 3.3125 -1.1250 0.0000 N 0 0 0 0 0 0 0 0 0 3.6042 -0.6042 0.0000 C 0 0 2 0 0 0 0 0 0 4.2042 -0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 2.1125 -1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 2.7042 -0.5250 0.0000 O 0 0 0 0 0 0 0 0 0 2.7042 -1.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0.3167 -1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0.9167 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 4.5125 -1.1167 0.0000 O 0 0 0 0 0 0 0 0 0 0.0250 -1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 1.8000 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 1.8167 -1.6625 0.0000 C 0 0 0 0 0 0 0 0 0 1.2042 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 1.2167 -1.6667 0.0000 C 0 0 0 0 0 0 0 0 0 3.3042 -0.0792 0.0000 C 0 0 3 0 0 0 0 0 0 4.5042 -0.0792 0.0000 O 0 0 0 0 0 0 0 0 0 -0.5750 -1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8833 -2.2167 0.0000 F 0 0 0 0 0 0 0 0 0 0.0042 -0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5958 -0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8833 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 2.7875 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 3.6042 0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 1 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 9 1 0 0 0 9 15 2 0 0 0 10 4 2 0 0 0 11 8 2 0 0 0 12 5 1 0 0 0 13 5 2 0 0 0 14 12 2 0 0 0 15 13 1 0 0 0 3 16 1 1 0 0 17 4 1 0 0 0 18 11 1 0 0 0 19 18 1 0 0 0 20 8 1 0 0 0 21 20 2 0 0 0 22 21 1 0 0 0 23 16 1 0 0 0 24 16 1 0 0 0 9 14 1 0 0 0 18 22 2 0 0 0 M END > 6.82390874094432 > 5.06550154875643 $$$$ SciTegic01161211242D 21 22 0 0 0 0 999 V2000 8.5902 1.5417 0.0000 C 0 0 8.5891 0.7143 0.0000 C 0 0 9.3039 0.3015 0.0000 C 0 0 10.0203 0.7148 0.0000 C 0 0 10.0175 1.5453 0.0000 C 0 0 9.3021 1.9545 0.0000 C 0 0 9.2996 2.7795 0.0000 S 0 0 9.6964 3.5046 0.0000 N 0 0 10.5212 3.5221 0.0000 C 0 0 10.9488 2.8166 0.0000 C 0 0 10.5515 2.0935 0.0000 O 0 0 11.7736 2.8341 0.0000 N 0 0 12.2011 2.1285 0.0000 O 0 0 8.5792 3.1958 0.0000 O 0 0 8.5792 2.3750 0.0000 O 0 0 9.3056 -0.5213 0.0000 C 0 0 8.5894 -0.9331 0.0000 C 0 0 8.5888 -1.7573 0.0000 C 0 0 9.3037 -2.1708 0.0000 C 0 0 10.0207 -1.7540 0.0000 C 0 0 10.0177 -0.9312 0.0000 C 0 0 2 3 1 0 10 11 2 0 5 6 2 0 10 12 1 0 6 1 1 0 12 13 1 0 1 2 2 0 7 14 2 0 6 7 1 0 7 15 2 0 3 4 2 0 7 8 1 0 16 17 2 0 17 18 1 0 8 9 1 0 18 19 2 0 4 5 1 0 19 20 1 0 9 10 1 0 20 21 2 0 21 16 1 0 3 16 1 0 M END > 8.61978875828839 > 6.21467016498923 $$$$ 11280715302D 1 1.00000 0.00000 0 21 22 0 0 0 999 V2000 4.7917 -1.9167 0.0000 S 0 0 3 0 0 0 0 0 0 4.7917 -2.7375 0.0000 N 0 0 3 0 0 0 0 0 0 4.1250 -3.2292 0.0000 C 0 0 3 0 0 0 0 0 0 3.3417 -2.9750 0.0000 C 0 0 0 0 0 0 0 0 0 4.7917 -1.0917 0.0000 C 0 0 0 0 0 0 0 0 0 5.6167 -1.9167 0.0000 O 0 0 0 0 0 0 0 0 0 3.9667 -1.9125 0.0000 O 0 0 0 0 0 0 0 0 0 3.1750 -2.1667 0.0000 O 0 0 0 0 0 0 0 0 0 2.7292 -3.5250 0.0000 N 0 0 0 0 0 0 0 0 0 4.0542 -0.6917 0.0000 C 0 0 0 0 0 0 0 0 0 5.5000 -0.6750 0.0000 C 0 0 0 0 0 0 0 0 0 5.5542 -3.0625 0.0000 C 0 0 0 0 0 0 0 0 0 4.7625 0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 4.2250 -4.0417 0.0000 C 0 0 0 0 0 0 0 0 0 5.4792 0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 4.0542 0.1333 0.0000 C 0 0 0 0 0 0 0 0 0 1.9417 -3.2667 0.0000 O 0 0 0 0 0 0 0 0 0 4.7542 1.3833 0.0000 O 0 0 0 0 0 0 0 0 0 5.4625 1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 5.6375 -3.8875 0.0000 C 0 0 0 0 0 0 0 0 0 4.9792 -4.3792 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 1 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 4 2 0 0 0 9 4 1 0 0 0 10 5 1 0 0 0 11 5 2 0 0 0 12 2 1 0 0 0 13 15 2 0 0 0 14 3 1 0 0 0 15 11 1 0 0 0 16 10 2 0 0 0 17 9 1 0 0 0 18 13 1 0 0 0 19 18 1 0 0 0 20 12 1 0 0 0 21 20 1 0 0 0 16 13 1 0 0 0 21 14 1 0 0 0 M END > 9.30102999566398 > 7.63827216398241 $$$$ 11280714452D 1 1.00000 0.00000 0 33 35 0 1 0 999 V2000 7.3292 -1.3750 0.0000 S 0 0 3 0 0 0 0 0 0 7.3292 -2.2000 0.0000 N 0 0 0 0 0 0 0 0 0 6.6125 -2.6125 0.0000 C 0 0 3 0 0 0 0 0 0 7.3292 -3.8500 0.0000 C 0 0 0 0 0 0 0 0 0 8.0375 -4.2542 0.0000 C 0 0 0 0 0 0 0 0 0 5.9000 -2.2000 0.0000 C 0 0 0 0 0 0 0 0 0 8.0417 -0.9625 0.0000 C 0 0 0 0 0 0 0 0 0 7.1125 -0.5667 0.0000 O 0 0 0 0 0 0 0 0 0 6.5250 -1.5792 0.0000 O 0 0 0 0 0 0 0 0 0 6.6125 -3.4375 0.0000 C 0 0 1 0 0 0 0 0 0 9.4667 -0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 10.1875 0.2750 0.0000 C 0 0 0 0 0 0 0 0 0 5.9000 -1.3750 0.0000 O 0 0 0 0 0 0 0 0 0 8.0417 -0.1417 0.0000 C 0 0 0 0 0 0 0 0 0 8.7542 -1.3750 0.0000 C 0 0 0 0 0 0 0 0 0 9.4667 -0.9625 0.0000 C 0 0 0 0 0 0 0 0 0 8.7542 0.2750 0.0000 C 0 0 0 0 0 0 0 0 0 10.8917 -0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 10.1792 1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 8.7500 -4.6667 0.0000 C 0 0 0 0 0 0 0 0 0 5.1875 -2.6125 0.0000 O 0 0 0 0 0 0 0 0 0 11.6125 1.1000 0.0000 C 0 0 0 0 0 0 0 0 0 12.3250 1.5208 0.0000 S 0 0 0 0 0 0 0 0 0 11.6125 0.2750 0.0000 C 0 0 0 0 0 0 0 0 0 10.8917 1.5125 0.0000 C 0 0 0 0 0 0 0 0 0 5.9000 -3.8500 0.0000 O 0 0 0 0 0 0 0 0 0 13.0417 1.1083 0.0000 C 0 0 0 0 0 0 0 0 0 9.4625 -4.2542 0.0000 C 0 0 0 0 0 0 0 0 0 8.7500 -5.4917 0.0000 C 0 0 0 0 0 0 0 0 0 5.9000 -4.6750 0.0000 C 0 0 0 0 0 0 0 0 0 10.1667 -4.6667 0.0000 C 0 0 0 0 0 0 0 0 0 9.4542 -5.9042 0.0000 C 0 0 0 0 0 0 0 0 0 10.1750 -5.4917 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 10 1 0 0 0 5 4 3 0 0 0 6 3 1 0 0 0 7 1 1 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 3 1 0 0 0 11 16 2 0 0 0 12 11 1 0 0 0 13 6 2 0 0 0 14 7 1 0 0 0 15 7 2 0 0 0 16 15 1 0 0 0 17 14 2 0 0 0 18 12 2 0 0 0 19 12 1 0 0 0 20 5 1 0 0 0 21 6 1 0 0 0 22 25 1 0 0 0 23 22 1 0 0 0 24 18 1 0 0 0 25 19 2 0 0 0 10 26 1 1 0 0 27 23 1 0 0 0 28 20 1 0 0 0 29 20 2 0 0 0 30 26 1 0 0 0 31 28 2 0 0 0 32 29 1 0 0 0 33 32 2 0 0 0 17 11 1 0 0 0 24 22 2 0 0 0 31 33 1 0 0 0 M END > 7.48148606012211 > 5.46852108295775 $$$$ 11280715122D 1 1.00000 0.00000 0 33 34 0 1 0 999 V2000 2.7125 -1.8167 0.0000 C 0 0 0 0 0 0 0 0 0 3.2292 -2.1167 0.0000 N 0 0 0 0 0 0 0 0 0 2.1917 -2.1167 0.0000 C 0 0 1 0 0 0 0 0 0 3.7542 -1.8167 0.0000 C 0 0 2 0 0 0 0 0 0 4.2750 -2.1167 0.0000 C 0 0 0 0 0 0 0 0 0 1.6750 -1.8167 0.0000 C 0 0 1 0 0 0 0 0 0 1.1500 -2.1167 0.0000 C 0 0 0 0 0 0 0 0 0 4.7917 -1.8167 0.0000 N 0 0 0 0 0 0 0 0 0 5.8417 -1.8167 0.0000 C 0 0 0 0 0 0 0 0 0 2.6667 -1.3417 0.0000 O 0 0 0 0 0 0 0 0 0 2.1917 -2.7250 0.0000 C 0 0 0 0 0 0 0 0 0 3.7250 -1.1875 0.0000 C 0 0 0 0 0 0 0 0 0 4.2750 -2.7250 0.0000 O 0 0 0 0 0 0 0 0 0 1.1500 -2.6042 0.0000 O 0 0 0 0 0 0 0 0 0 1.6750 0.2333 0.0000 O 0 0 0 0 0 0 0 0 0 5.8417 -1.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0.6292 -1.8167 0.0000 N 0 0 0 0 0 0 0 0 0 5.3167 -2.1167 0.0000 C 0 0 0 0 0 0 0 0 0 6.3667 -2.1167 0.0000 N 0 0 0 0 0 0 0 0 0 2.3167 -0.0250 0.0000 C 0 0 0 0 0 0 0 0 0 3.3917 -0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 2.8542 0.2875 0.0000 C 0 0 0 0 0 0 0 0 0 2.3167 -0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 2.8542 -0.9542 0.0000 C 0 0 0 0 0 0 0 0 0 3.3917 -0.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0.1125 -2.1167 0.0000 O 0 0 0 0 0 0 0 0 0 1.6750 -1.2167 0.0000 C 0 0 0 0 0 0 0 0 0 1.7667 -3.1417 0.0000 C 0 0 3 0 0 0 0 0 0 1.6667 -0.3292 0.0000 C 0 0 0 0 0 0 0 0 0 6.8875 -1.8167 0.0000 C 0 0 0 0 0 0 0 0 0 2.1042 -0.7667 0.0000 C 0 0 0 0 0 0 0 0 0 1.1625 -3.1417 0.0000 C 0 0 0 0 0 0 0 0 0 2.0625 -3.6625 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 2 1 0 0 0 5 4 1 0 0 0 6 3 1 0 0 0 7 6 1 0 0 0 8 5 1 0 0 0 9 18 1 0 0 0 10 1 2 0 0 0 3 11 1 6 0 0 4 12 1 1 0 0 13 5 2 0 0 0 14 7 2 0 0 0 15 29 1 0 0 0 16 9 2 0 0 0 17 7 1 0 0 0 18 8 1 0 0 0 19 9 1 0 0 0 20 15 1 0 0 0 21 12 1 0 0 0 22 25 2 0 0 0 23 24 1 0 0 0 24 21 2 0 0 0 25 21 1 0 0 0 26 17 1 0 0 0 6 27 1 1 0 0 28 11 1 0 0 0 29 31 1 0 0 0 30 19 1 0 0 0 31 27 1 0 0 0 32 28 1 0 0 0 33 28 1 0 0 0 22 20 1 0 0 0 20 23 2 0 0 0 M END > 9.34678748622466 > 8.52287874528034 $$$$ 11280715422D 1 1.00000 0.00000 0 32 34 0 0 0 999 V2000 -0.7833 1.4833 0.0000 S 0 0 3 0 0 0 0 0 0 -0.7833 0.6500 0.0000 N 0 0 3 0 0 0 0 0 0 -1.4958 0.2458 0.0000 C 0 0 3 0 0 0 0 0 0 -1.0500 -1.1792 0.0000 N 0 0 3 0 0 0 0 0 0 -1.3375 -1.9542 0.0000 C 0 0 0 0 0 0 0 0 0 -1.6125 -0.5792 0.0000 C 0 0 0 0 0 0 0 0 0 -2.1833 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8125 -2.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0.0417 1.4833 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7833 2.3000 0.0000 O 0 0 0 0 0 0 0 0 0 -1.6083 1.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0.0125 -2.6167 0.0000 S 0 0 0 0 0 0 0 0 0 3.7625 0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 4.5875 0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 -2.1500 -2.1042 0.0000 O 0 0 0 0 0 0 0 0 0 -2.1125 1.5458 0.0000 O 0 0 0 0 0 0 0 0 0 -1.1000 -3.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0.2375 -3.4167 0.0000 C 0 0 0 0 0 0 0 0 0 -2.9250 0.3500 0.0000 N 0 0 0 0 0 0 0 0 0 -0.4500 -3.8750 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0125 0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0.4542 2.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0.4542 0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2375 -1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0.2292 -0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 1.7000 1.4833 0.0000 C 0 0 0 0 0 0 0 0 0 1.2875 2.1875 0.0000 C 0 0 0 0 0 0 0 0 0 1.2875 0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 -3.6083 0.8208 0.0000 O 0 0 0 0 0 0 0 0 0 2.9375 0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 2.5250 1.4833 0.0000 O 0 0 0 0 0 0 0 0 0 5.4125 0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 6 1 0 0 0 5 4 1 0 0 0 6 3 1 0 0 0 7 3 1 0 0 0 8 5 1 0 0 0 9 1 1 0 0 0 10 1 2 0 0 0 11 1 2 0 0 0 12 8 1 0 0 0 13 30 1 0 0 0 14 13 3 0 0 0 15 5 2 0 0 0 16 7 2 0 0 0 17 8 2 0 0 0 18 12 1 0 0 0 19 7 1 0 0 0 20 17 1 0 0 0 21 2 1 0 0 0 22 9 1 0 0 0 23 9 2 0 0 0 24 25 1 0 0 0 25 21 1 0 0 0 26 28 2 0 0 0 27 22 2 0 0 0 28 23 1 0 0 0 29 19 1 0 0 0 30 31 1 0 0 0 31 26 1 0 0 0 32 14 1 0 0 0 26 27 1 0 0 0 24 4 1 0 0 0 18 20 2 0 0 0 M END > 6.84771165561694 > 6.19044028536473 $$$$ SciTegic11161115462D 27 29 0 0 0 0 999 V2000 15.2988 1.9580 0.0000 C 0 0 14.5826 1.5466 0.0000 C 0 0 14.5808 0.7252 0.0000 C 0 0 15.2936 0.3090 0.0000 O 0 0 16.0098 0.7204 0.0000 C 0 0 16.0132 1.5481 0.0000 C 0 0 16.0132 2.3707 0.0000 S 0 0 16.4255 3.0853 0.0000 O 0 0 15.6005 3.0851 0.0000 O 0 0 16.7277 1.9584 0.0000 C 0 0 16.7266 1.1310 0.0000 C 0 0 17.4414 0.7181 0.0000 C 0 0 18.1578 1.1315 0.0000 C 0 0 18.1550 1.9620 0.0000 C 0 0 17.4396 2.3711 0.0000 C 0 0 18.8730 0.7201 0.0000 O 0 0 14.5842 2.3704 0.0000 C 0 0 14.5840 3.1954 0.0000 O 0 0 13.8699 1.9577 0.0000 N 0 0 13.1553 2.3700 0.0000 O 0 0 19.5868 1.1337 0.0000 C 0 0 20.2985 0.7219 0.0000 C 0 0 21.0119 1.1348 0.0000 C 0 0 21.0110 1.9607 0.0000 C 0 0 20.2909 2.3719 0.0000 C 0 0 19.5805 1.9566 0.0000 C 0 0 21.7243 2.3753 0.0000 Cl 0 0 7 9 2 0 14 15 2 0 15 10 1 0 13 16 1 0 10 7 1 0 7 1 1 0 1 2 1 0 1 17 1 0 1 6 1 0 17 18 2 0 2 3 1 0 17 19 1 0 3 4 1 0 19 20 1 0 10 11 2 0 16 21 1 0 4 5 1 0 21 22 2 0 11 12 1 0 22 23 1 0 5 6 1 0 23 24 2 0 12 13 2 0 24 25 1 0 8 7 2 0 25 26 2 0 26 21 1 0 13 14 1 0 24 27 1 0 M END > 9.82390874094432 > 6.36151074304536 $$$$ 11280715082D 1 1.00000 0.00000 0 37 39 0 0 0 999 V2000 6.5500 -5.0000 0.0000 S 0 0 3 0 0 0 0 0 0 5.7625 -5.0042 0.0000 N 0 0 3 0 0 0 0 0 0 5.4625 -5.5250 0.0000 C 0 0 0 0 0 0 0 0 0 4.8625 -5.5250 0.0000 C 0 0 0 0 0 0 0 0 0 5.7625 -6.0417 0.0000 C 0 0 0 0 0 0 0 0 0 7.3042 -6.5250 0.0000 C 0 0 0 0 0 0 0 0 0 4.5542 -5.0042 0.0000 C 0 0 0 0 0 0 0 0 0 6.7042 -6.5375 0.0000 C 0 0 3 0 0 0 0 0 0 6.3917 -6.0292 0.0000 O 0 0 0 0 0 0 0 0 0 7.1500 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 7.0167 -4.2500 0.0000 O 0 0 0 0 0 0 0 0 0 6.3042 -4.3125 0.0000 O 0 0 0 0 0 0 0 0 0 5.4542 -4.4792 0.0000 C 0 0 0 0 0 0 0 0 0 7.5917 -6.0000 0.0000 O 0 0 0 0 0 0 0 0 0 4.8917 -4.3417 0.0000 O 0 0 0 0 0 0 0 0 0 7.6167 -7.0375 0.0000 N 0 0 0 0 0 0 0 0 0 3.9542 -5.0042 0.0000 N 0 0 0 0 0 0 0 0 0 7.4417 -4.4792 0.0000 C 0 0 0 0 0 0 0 0 0 7.4417 -5.5167 0.0000 C 0 0 0 0 0 0 0 0 0 4.5667 -6.0417 0.0000 C 0 0 0 0 0 0 0 0 0 8.3417 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 5.7542 -3.9625 0.0000 C 0 0 0 0 0 0 0 0 0 8.0417 -5.5167 0.0000 C 0 0 0 0 0 0 0 0 0 8.0417 -4.4792 0.0000 C 0 0 0 0 0 0 0 0 0 5.4625 -6.5542 0.0000 C 0 0 0 0 0 0 0 0 0 7.6125 -7.9292 0.0000 O 0 0 0 0 0 0 0 0 0 3.6125 -4.3125 0.0000 O 0 0 0 0 0 0 0 0 0 8.9417 -5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 6.1167 -6.6917 0.0000 C 0 0 0 0 0 0 0 0 0 6.7000 -7.1375 0.0000 C 0 0 0 0 0 0 0 0 0 4.8625 -6.5542 0.0000 C 0 0 0 0 0 0 0 0 0 5.4542 -3.4500 0.0000 C 0 0 0 0 0 0 0 0 0 6.3542 -3.9625 0.0000 C 0 0 0 0 0 0 0 0 0 9.2417 -5.5167 0.0000 C 0 0 0 0 0 0 0 0 0 5.7542 -2.9292 0.0000 C 0 0 0 0 0 0 0 0 0 6.6542 -3.4417 0.0000 C 0 0 0 0 0 0 0 0 0 6.3542 -2.9250 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 3 2 0 0 0 6 8 1 0 0 0 7 4 1 0 0 0 8 9 1 0 0 0 9 5 1 0 0 0 10 1 1 0 0 0 11 1 2 0 0 0 12 1 2 0 0 0 13 2 1 0 0 0 14 6 2 0 0 0 15 7 2 0 0 0 16 6 1 0 0 0 17 7 1 0 0 0 18 10 1 0 0 0 19 10 2 0 0 0 20 4 2 0 0 0 21 23 2 0 0 0 22 13 1 0 0 0 23 19 1 0 0 0 24 18 2 0 0 0 25 5 1 0 0 0 26 16 1 0 0 0 27 17 1 0 0 0 28 21 1 0 0 0 29 8 1 0 0 0 30 8 1 0 0 0 31 25 2 0 0 0 32 22 1 0 0 0 33 22 2 0 0 0 34 28 1 0 0 0 35 32 2 0 0 0 36 33 1 0 0 0 37 36 2 0 0 0 21 24 1 0 0 0 31 20 1 0 0 0 35 37 1 0 0 0 M END > 8.22184874961636 > 6.22402566887063 $$$$ 11280715482D 1 1.00000 0.00000 0 31 33 0 0 0 999 V2000 3.3667 -1.1125 0.0000 S 0 0 3 0 0 0 0 0 0 2.5417 -1.1542 0.0000 N 0 0 3 0 0 0 0 0 0 2.1000 -0.4542 0.0000 C 0 0 3 0 0 0 0 0 0 2.4792 0.2750 0.0000 C 0 0 0 0 0 0 0 0 0 2.1667 -1.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0.9000 -1.2250 0.0000 N 0 0 3 0 0 0 0 0 0 4.1917 -1.0750 0.0000 C 0 0 0 0 0 0 0 0 0 1.2792 -0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 3.3667 -1.9375 0.0000 O 0 0 0 0 0 0 0 0 0 3.3667 -0.2875 0.0000 O 0 0 0 0 0 0 0 0 0 6.7375 -2.3792 0.0000 C 0 0 0 0 0 0 0 0 0 6.3167 -3.0917 0.0000 C 0 0 0 0 0 0 0 0 0 3.2750 0.4958 0.0000 O 0 0 0 0 0 0 0 0 0 1.3417 -1.9167 0.0000 C 0 0 0 0 0 0 0 0 0 1.9625 0.9208 0.0000 N 0 0 0 0 0 0 0 0 0 0.0750 -1.2625 0.0000 C 0 0 0 0 0 0 0 0 0 -0.4333 0.8583 0.0000 N 0 0 0 0 0 0 0 0 0 4.5750 -0.3417 0.0000 C 0 0 0 0 0 0 0 0 0 4.6375 -1.7667 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3708 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 5.8417 -0.9917 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 5.4625 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 2.2542 1.6875 0.0000 O 0 0 0 0 0 0 0 0 0 0.0125 0.1625 0.0000 C 0 0 0 0 0 0 0 0 0 7.1167 -1.6417 0.0000 C 0 0 0 0 0 0 0 0 0 6.6667 -0.9542 0.0000 O 0 0 0 0 0 0 0 0 0 5.9042 -3.8042 0.0000 C 0 0 0 0 0 0 0 0 0 -1.2583 0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1958 -0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 -1.6375 0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 2 1 0 0 0 6 14 1 0 0 0 7 1 1 0 0 0 8 3 1 0 0 0 9 1 2 0 0 0 10 1 2 0 0 0 11 26 1 0 0 0 12 11 3 0 0 0 13 4 2 0 0 0 14 5 1 0 0 0 15 4 1 0 0 0 16 6 1 0 0 0 17 25 1 0 0 0 18 7 2 0 0 0 19 7 1 0 0 0 20 16 1 0 0 0 21 23 1 0 0 0 22 18 1 0 0 0 23 19 2 0 0 0 24 15 1 0 0 0 25 20 2 0 0 0 26 27 1 0 0 0 27 21 1 0 0 0 28 12 1 0 0 0 29 31 1 0 0 0 30 20 1 0 0 0 31 30 2 0 0 0 22 21 2 0 0 0 8 6 1 0 0 0 17 29 2 0 0 0 M END > 7.30980391997149 > 5.49525736372831 $$$$ 11280715332D 1 1.00000 0.00000 0 32 34 0 1 0 999 V2000 5.7875 -2.2917 0.0000 S 0 0 3 0 0 0 0 0 0 6.0750 -3.0667 0.0000 N 0 0 3 0 0 0 0 0 0 5.5417 -3.7042 0.0000 C 0 0 1 0 0 0 0 0 0 4.7167 -3.6542 0.0000 C 0 0 0 0 0 0 0 0 0 6.8375 -3.3792 0.0000 C 0 0 0 0 0 0 0 0 0 6.7792 -4.2042 0.0000 C 0 0 0 0 0 0 0 0 0 5.9792 -4.3917 0.0000 C 0 0 0 0 0 0 0 0 0 6.5667 -2.0042 0.0000 C 0 0 0 0 0 0 0 0 0 5.5000 -1.5125 0.0000 O 0 0 0 0 0 0 0 0 0 5.0042 -2.5792 0.0000 O 0 0 0 0 0 0 0 0 0 7.4042 -4.7417 0.0000 N 0 0 0 0 0 0 0 0 0 4.3417 -2.9250 0.0000 O 0 0 0 0 0 0 0 0 0 4.2667 -4.3542 0.0000 N 0 0 0 0 0 0 0 0 0 7.1917 -2.5292 0.0000 C 0 0 0 0 0 0 0 0 0 6.7042 -1.1917 0.0000 C 0 0 0 0 0 0 0 0 0 8.1792 -4.4667 0.0000 O 0 0 0 0 0 0 0 0 0 8.1125 -1.4375 0.0000 C 0 0 0 0 0 0 0 0 0 7.4792 -0.9042 0.0000 C 0 0 0 0 0 0 0 0 0 7.9667 -2.2417 0.0000 C 0 0 0 0 0 0 0 0 0 3.4417 -4.3042 0.0000 O 0 0 0 0 0 0 0 0 0 8.8917 -1.1542 0.0000 O 0 0 0 0 0 0 0 0 0 9.5792 -4.7292 0.0000 C 0 0 0 0 0 0 0 0 0 8.8042 -5.0042 0.0000 C 0 0 0 0 0 0 0 0 0 9.5292 -1.6875 0.0000 C 0 0 0 0 0 0 0 0 0 10.2042 -5.2667 0.0000 C 0 0 0 0 0 0 0 0 0 9.7292 -3.9250 0.0000 C 0 0 0 0 0 0 0 0 0 10.3042 -1.4042 0.0000 C 0 0 0 0 0 0 0 0 0 10.9292 -1.9417 0.0000 C 0 0 0 0 0 0 0 0 0 11.7042 -1.6667 0.0000 C 0 0 0 0 0 0 0 0 0 10.5042 -3.6500 0.0000 C 0 0 0 0 0 0 0 0 0 10.9792 -4.9917 0.0000 C 0 0 0 0 0 0 0 0 0 11.1292 -4.1792 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 2 1 0 0 0 6 5 1 0 0 0 3 7 1 6 0 0 8 1 1 0 0 0 9 1 2 0 0 0 10 1 2 0 0 0 11 6 2 0 0 0 12 4 2 0 0 0 13 4 1 0 0 0 14 8 2 0 0 0 15 8 1 0 0 0 16 11 1 0 0 0 17 18 1 0 0 0 18 15 2 0 0 0 19 14 1 0 0 0 20 13 1 0 0 0 21 17 1 0 0 0 22 23 1 0 0 0 23 16 1 0 0 0 24 21 1 0 0 0 25 22 2 0 0 0 26 22 1 0 0 0 27 24 1 0 0 0 28 27 1 0 0 0 29 28 1 0 0 0 30 26 2 0 0 0 31 25 1 0 0 0 32 30 1 0 0 0 17 19 2 0 0 0 6 7 1 0 0 0 32 31 2 0 0 0 M END > 10 > 6.89619627904404 $$$$ 11280715242D 1 1.00000 0.00000 0 28 30 0 0 0 999 V2000 4.8750 -1.8167 0.0000 S 0 0 3 0 0 0 0 0 0 4.8750 -2.4167 0.0000 N 0 0 3 0 0 0 0 0 0 4.3625 -2.7167 0.0000 C 0 0 3 0 0 0 0 0 0 4.8750 -3.6167 0.0000 N 0 0 3 0 0 0 0 0 0 4.8750 -4.2167 0.0000 C 0 0 0 0 0 0 0 0 0 4.3625 -3.3167 0.0000 C 0 0 0 0 0 0 0 0 0 3.8417 -2.4167 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -2.7167 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -4.5167 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -1.5167 0.0000 C 0 0 0 0 0 0 0 0 0 4.3250 -1.4375 0.0000 O 0 0 0 0 0 0 0 0 0 5.5875 -2.2292 0.0000 O 0 0 0 0 0 0 0 0 0 5.4542 -5.1167 0.0000 S 0 0 0 0 0 0 0 0 0 5.3917 -3.3167 0.0000 C 0 0 0 0 0 0 0 0 0 4.3542 -4.5167 0.0000 O 0 0 0 0 0 0 0 0 0 3.8375 -1.8167 0.0000 O 0 0 0 0 0 0 0 0 0 5.9417 -4.2750 0.0000 C 0 0 0 0 0 0 0 0 0 6.0417 -5.2417 0.0000 C 0 0 0 0 0 0 0 0 0 3.3167 -2.7167 0.0000 N 0 0 0 0 0 0 0 0 0 6.3417 -4.7167 0.0000 C 0 0 0 0 0 0 0 0 0 5.9125 -1.8167 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -0.9167 0.0000 C 0 0 0 0 0 0 0 0 0 6.4292 -0.9167 0.0000 C 0 0 0 0 0 0 0 0 0 5.9042 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 6.4292 -1.5167 0.0000 C 0 0 0 0 0 0 0 0 0 2.8000 -2.4167 0.0000 O 0 0 0 0 0 0 0 0 0 6.9500 -0.6167 0.0000 O 0 0 0 0 0 0 0 0 0 7.4667 -0.9125 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 14 1 0 0 0 5 4 1 0 0 0 6 3 1 0 0 0 7 3 1 0 0 0 8 2 1 0 0 0 9 5 1 0 0 0 10 1 1 0 0 0 11 1 2 0 0 0 12 1 2 0 0 0 13 9 1 0 0 0 14 8 1 0 0 0 15 5 2 0 0 0 16 7 2 0 0 0 17 9 2 0 0 0 18 13 1 0 0 0 19 7 1 0 0 0 20 17 1 0 0 0 21 10 2 0 0 0 22 10 1 0 0 0 23 24 1 0 0 0 24 22 2 0 0 0 25 21 1 0 0 0 26 19 1 0 0 0 27 23 1 0 0 0 28 27 1 0 0 0 23 25 2 0 0 0 4 6 1 0 0 0 20 18 2 0 0 0 M END > 8.72124639904717 > 7.16749108729376 $$$$ 11290715122D 1 1.00000 0.00000 0 31 33 0 0 0 999 V2000 -0.2585 -1.0175 0.0000 C 0 0 3 0 0 0 0 0 0 0.2708 -1.6471 0.0000 C 0 0 0 0 0 0 0 0 0 1.0788 -1.5121 0.0000 C 0 0 0 0 0 0 0 0 0 1.3703 -0.7396 0.0000 N 0 0 3 0 0 0 0 0 0 0.8450 -0.1032 0.0000 C 0 0 0 0 0 0 0 0 0 0.0282 -0.2401 0.0000 C 0 0 0 0 0 0 0 0 0 -3.3331 0.7664 0.0000 C 0 0 0 0 0 0 0 0 0 -3.3331 -0.0651 0.0000 C 0 0 0 0 0 0 0 0 0 -2.6143 -0.4801 0.0000 C 0 0 0 0 0 0 0 0 0 -1.9018 -0.0687 0.0000 C 0 0 0 0 0 0 0 0 0 -1.9018 0.7640 0.0000 C 0 0 0 0 0 0 0 0 0 -2.6130 1.1746 0.0000 C 0 0 0 0 0 0 0 0 0 -4.0428 1.1761 0.0000 O 0 0 0 0 0 0 0 0 0 -4.0428 2.0068 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1873 -0.4812 0.0000 S 0 0 3 0 0 0 0 0 0 -0.7742 0.2343 0.0000 O 0 0 0 0 0 0 0 0 0 -1.5992 -1.1947 0.0000 O 0 0 0 0 0 0 0 0 0 -0.9485 -1.8401 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7609 -1.6968 0.0000 O 0 0 0 0 0 0 0 0 0 2.1841 -0.6043 0.0000 C 0 0 0 0 0 0 0 0 0 2.7082 -1.2415 0.0000 C 0 0 0 0 0 0 0 0 0 2.4156 -2.0086 0.0000 C 0 0 0 0 0 0 0 0 0 2.9373 -2.6466 0.0000 C 0 0 0 0 0 0 0 0 0 3.7509 -2.5145 0.0000 C 0 0 0 0 0 0 0 0 0 4.0428 -1.7374 0.0000 C 0 0 0 0 0 0 0 0 0 3.5191 -1.1023 0.0000 C 0 0 0 0 0 0 0 0 0 -3.3233 2.4223 0.0000 C 0 0 0 0 0 0 0 0 0 -2.6088 2.8348 0.0000 C 0 0 0 0 0 0 0 0 0 -1.8943 3.2473 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1966 -3.2473 0.0000 O 0 0 0 0 0 0 0 0 0 -0.6663 -2.6153 0.0000 N 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 6 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 7 8 2 0 0 0 8 9 1 0 0 0 9 10 2 0 0 0 10 11 1 0 0 0 11 12 2 0 0 0 12 7 1 0 0 0 7 13 1 0 0 0 13 14 1 0 0 0 10 15 1 0 0 0 15 16 2 0 0 0 15 17 2 0 0 0 15 1 1 0 0 0 1 18 1 0 0 0 18 19 2 0 0 0 4 20 1 0 0 0 20 21 1 0 0 0 21 22 2 0 0 0 22 23 1 0 0 0 23 24 2 0 0 0 24 25 1 0 0 0 25 26 2 0 0 0 26 21 1 0 0 0 14 27 1 0 0 0 27 28 3 0 0 0 28 29 1 0 0 0 18 31 1 0 0 0 30 31 1 0 0 0 M END > 7.32790214206428 > 5.57888987020657 $$$$ 11280715432D 1 1.00000 0.00000 0 29 30 0 0 0 999 V2000 -0.5500 1.2625 0.0000 S 0 0 3 0 0 0 0 0 0 -0.5625 0.4375 0.0000 N 0 0 3 0 0 0 0 0 0 -1.3083 0.0875 0.0000 C 0 0 3 0 0 0 0 0 0 -0.9875 -1.3750 0.0000 N 0 0 3 0 0 0 0 0 0 -1.9458 0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5000 -0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3500 -2.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0.2792 1.2625 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3833 1.2625 0.0000 O 0 0 0 0 0 0 0 0 0 -0.5625 2.0958 0.0000 O 0 0 0 0 0 0 0 0 0 2.7542 -0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 3.1750 -0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 -1.9500 1.4375 0.0000 O 0 0 0 0 0 0 0 0 0 -2.1833 -2.1750 0.0000 O 0 0 0 0 0 0 0 0 0 -2.7000 0.2583 0.0000 N 0 0 0 0 0 0 0 0 0 0.1875 0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0.6875 0.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0.6875 1.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0.3667 -0.7417 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1625 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 1.9292 1.2625 0.0000 C 0 0 0 0 0 0 0 0 0 1.5167 0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 1.5167 1.9833 0.0000 C 0 0 0 0 0 0 0 0 0 -0.9000 -2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 -1.2625 -3.5375 0.0000 N 0 0 0 0 0 0 0 0 0 -3.3833 0.7250 0.0000 O 0 0 0 0 0 0 0 0 0 3.1792 0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 2.7542 1.2625 0.0000 O 0 0 0 0 0 0 0 0 0 3.5875 -1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 6 1 0 0 0 5 3 1 0 0 0 6 3 1 0 0 0 7 4 1 0 0 0 8 1 1 0 0 0 9 1 2 0 0 0 10 1 2 0 0 0 11 27 1 0 0 0 12 11 3 0 0 0 13 5 2 0 0 0 14 7 2 0 0 0 15 5 1 0 0 0 16 2 1 0 0 0 17 8 2 0 0 0 18 8 1 0 0 0 19 16 1 0 0 0 20 19 1 0 0 0 21 23 1 0 0 0 22 17 1 0 0 0 23 18 2 0 0 0 24 7 1 0 0 0 25 24 1 0 0 0 26 15 1 0 0 0 27 28 1 0 0 0 28 21 1 0 0 0 29 12 1 0 0 0 21 22 2 0 0 0 20 4 1 0 0 0 M END > 5.9734667354767 > 5.51841406363238 $$$$ 11280715232D 1 1.00000 0.00000 0 15 15 0 0 0 999 V2000 5.6042 -3.4917 0.0000 S 0 0 3 0 0 0 0 0 0 3.2917 -2.2292 0.0000 C 0 0 3 0 0 0 0 0 0 4.8500 -3.5167 0.0000 C 0 0 0 0 0 0 0 0 0 6.3875 -3.4917 0.0000 N 0 0 0 0 0 0 0 0 0 3.6917 -2.8917 0.0000 C 0 0 0 0 0 0 0 0 0 4.4542 -2.8750 0.0000 C 0 0 0 0 0 0 0 0 0 5.6042 -2.7125 0.0000 O 0 0 0 0 0 0 0 0 0 5.6542 -4.4000 0.0000 O 0 0 0 0 0 0 0 0 0 3.2292 -1.2792 0.0000 F 0 0 0 0 0 0 0 0 0 2.5167 -2.2542 0.0000 F 0 0 0 0 0 0 0 0 0 4.0375 -2.0042 0.0000 F 0 0 0 0 0 0 0 0 0 6.7417 -4.4417 0.0000 O 0 0 0 0 0 0 0 0 0 4.4917 -4.1917 0.0000 C 0 0 0 0 0 0 0 0 0 3.3292 -3.5542 0.0000 C 0 0 0 0 0 0 0 0 0 3.7292 -4.2042 0.0000 C 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 3 1 1 0 0 0 4 1 1 0 0 0 5 6 1 0 0 0 6 3 2 0 0 0 7 1 2 0 0 0 8 1 2 0 0 0 9 2 1 0 0 0 10 2 1 0 0 0 11 2 1 0 0 0 12 4 1 0 0 0 13 3 1 0 0 0 14 15 1 0 0 0 15 13 2 0 0 0 5 14 2 0 0 0 M END > 6.09691001300806 > 6.09691001300806 $$$$ 11280714532D 1 1.00000 0.00000 0 38 42 0 0 0 999 V2000 3.1792 -0.4667 0.0000 S 0 0 3 0 0 0 0 0 0 2.4750 -0.8917 0.0000 N 0 0 3 0 0 0 0 0 0 2.4792 -1.7167 0.0000 C 0 0 0 0 0 0 0 0 0 1.7667 -2.1292 0.0000 C 0 0 0 0 0 0 0 0 0 3.1917 -2.1292 0.0000 C 0 0 0 0 0 0 0 0 0 3.1917 -2.9542 0.0000 C 0 0 0 0 0 0 0 0 0 2.4792 -3.3667 0.0000 N 0 0 0 0 0 0 0 0 0 3.9125 -3.3667 0.0000 C 0 0 0 0 0 0 0 0 0 1.0542 -1.7167 0.0000 C 0 0 0 0 0 0 0 0 0 3.9125 -4.1875 0.0000 C 0 0 0 0 0 0 0 0 0 1.7667 -2.9542 0.0000 C 0 0 0 0 0 0 0 0 0 3.9000 -0.0667 0.0000 C 0 0 0 0 0 0 0 0 0 2.7667 0.2458 0.0000 O 0 0 0 0 0 0 0 0 0 3.5917 -1.1792 0.0000 O 0 0 0 0 0 0 0 0 0 3.2417 -4.6667 0.0000 S 0 0 0 0 0 0 0 0 0 1.7542 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 4.5750 -4.6667 0.0000 C 0 0 0 0 0 0 0 0 0 3.5000 -5.4500 0.0000 C 0 0 0 0 0 0 0 0 0 1.0542 -0.8917 0.0000 O 0 0 0 0 0 0 0 0 0 2.4542 1.5833 0.0000 N 0 0 0 0 0 0 0 0 0 4.3292 -5.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0.3375 -2.1292 0.0000 N 0 0 0 0 0 0 0 0 0 1.7500 0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 4.6042 -0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 3.9042 0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 3.9042 -1.7125 0.0000 C 0 0 0 0 0 0 0 0 0 5.3375 0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 4.6250 1.1583 0.0000 C 0 0 0 0 0 0 0 0 0 5.3292 -0.0875 0.0000 C 0 0 0 0 0 0 0 0 0 4.6250 -2.9500 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3750 -1.7167 0.0000 O 0 0 0 0 0 0 0 0 0 2.4667 0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 6.0542 1.1458 0.0000 O 0 0 0 0 0 0 0 0 0 4.6167 -2.1167 0.0000 C 0 0 0 0 0 0 0 0 0 1.7292 1.9875 0.0000 C 0 0 0 0 0 0 0 0 0 1.0292 0.7458 0.0000 C 0 0 0 0 0 0 0 0 0 6.7667 0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 1.0250 1.5708 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 3 2 0 0 0 6 5 1 0 0 0 7 6 2 0 0 0 8 6 1 0 0 0 9 4 1 0 0 0 10 8 1 0 0 0 11 4 2 0 0 0 12 1 1 0 0 0 13 1 2 0 0 0 14 1 2 0 0 0 15 10 1 0 0 0 16 2 1 0 0 0 17 10 2 0 0 0 18 15 1 0 0 0 19 9 2 0 0 0 20 32 2 0 0 0 21 17 1 0 0 0 22 9 1 0 0 0 23 16 1 0 0 0 24 12 2 0 0 0 25 12 1 0 0 0 26 5 1 0 0 0 27 28 1 0 0 0 28 25 2 0 0 0 29 24 1 0 0 0 30 34 1 0 0 0 31 22 1 0 0 0 32 23 1 0 0 0 33 27 1 0 0 0 34 26 2 0 0 0 35 38 2 0 0 0 36 23 2 0 0 0 37 33 1 0 0 0 38 36 1 0 0 0 27 29 2 0 0 0 7 11 1 0 0 0 35 20 1 0 0 0 30 8 2 0 0 0 21 18 2 0 0 0 M END > 8.69897000433602 > 6.86646109162978 $$$$ 11280715082D 1 1.00000 0.00000 0 33 35 0 0 0 999 V2000 0.7375 -3.1875 0.0000 S 0 0 3 0 0 0 0 0 0 1.4375 -4.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0.7250 -4.0042 0.0000 N 0 0 3 0 0 0 0 0 0 1.4292 -5.2417 0.0000 C 0 0 0 0 0 0 0 0 0 2.1417 -4.0042 0.0000 C 0 0 0 0 0 0 0 0 0 2.8500 -4.4167 0.0000 N 0 0 0 0 0 0 0 0 0 0.7167 -5.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0.7375 -2.3625 0.0000 C 0 0 0 0 0 0 0 0 0 2.8542 -5.2417 0.0000 C 0 0 0 0 0 0 0 0 0 2.1417 -5.6542 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0625 -2.9667 0.0000 O 0 0 0 0 0 0 0 0 0 1.5625 -3.1875 0.0000 O 0 0 0 0 0 0 0 0 0 -0.0750 -4.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0.0042 -5.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0.7167 -6.4792 0.0000 N 0 0 0 0 0 0 0 0 0 0.0250 -1.9500 0.0000 C 0 0 0 0 0 0 0 0 0 1.4542 -1.9500 0.0000 C 0 0 0 0 0 0 0 0 0 2.1292 -3.1875 0.0000 O 0 0 0 0 0 0 0 0 0 3.5667 -5.6542 0.0000 O 0 0 0 0 0 0 0 0 0 0.7375 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7958 -3.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0.0250 -1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 1.4542 -1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0.0000 -6.8917 0.0000 O 0 0 0 0 0 0 0 0 0 0.7292 0.1208 0.0000 O 0 0 0 0 0 0 0 0 0 2.8500 -2.7750 0.0000 C 0 0 0 0 0 0 0 0 0 3.5667 -6.4792 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7958 -2.9792 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5083 -4.2250 0.0000 C 0 0 0 0 0 0 0 0 0 1.4500 0.5333 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5083 -2.5667 0.0000 C 0 0 0 0 0 0 0 0 0 -2.2208 -3.8167 0.0000 C 0 0 0 0 0 0 0 0 0 -2.2250 -2.9792 0.0000 C 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 3 1 1 0 0 0 4 2 2 0 0 0 5 2 1 0 0 0 6 5 2 0 0 0 7 4 1 0 0 0 8 1 1 0 0 0 9 6 1 0 0 0 10 4 1 0 0 0 11 1 2 0 0 0 12 1 2 0 0 0 13 3 1 0 0 0 14 7 2 0 0 0 15 7 1 0 0 0 16 8 1 0 0 0 17 8 2 0 0 0 18 5 1 0 0 0 19 9 1 0 0 0 20 23 2 0 0 0 21 13 1 0 0 0 22 16 2 0 0 0 23 17 1 0 0 0 24 15 1 0 0 0 25 20 1 0 0 0 26 18 1 0 0 0 27 19 1 0 0 0 28 21 2 0 0 0 29 21 1 0 0 0 30 25 1 0 0 0 31 28 1 0 0 0 32 29 2 0 0 0 33 32 1 0 0 0 20 22 1 0 0 0 10 9 2 0 0 0 31 33 2 0 0 0 M END > 7.32790214206428 > 5.911155437273 $$$$ 11280714472D 1 1.00000 0.00000 0 28 29 0 0 0 999 V2000 4.5167 -2.0750 0.0000 S 0 0 3 0 0 0 0 0 0 3.0917 -3.7250 0.0000 C 0 0 0 0 0 0 0 0 0 3.8000 -2.4875 0.0000 N 0 0 3 0 0 0 0 0 0 3.8042 -3.3125 0.0000 C 0 0 0 0 0 0 0 0 0 4.5167 -3.7250 0.0000 C 0 0 0 0 0 0 0 0 0 2.3792 -3.3167 0.0000 C 0 0 0 0 0 0 0 0 0 5.1750 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 4.1542 -1.2292 0.0000 O 0 0 0 0 0 0 0 0 0 4.8667 -2.7917 0.0000 O 0 0 0 0 0 0 0 0 0 3.0917 -4.5542 0.0000 C 0 0 0 0 0 0 0 0 0 8.5667 0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 9.2167 0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 4.5167 -4.5542 0.0000 C 0 0 0 0 0 0 0 0 0 3.8042 -4.9667 0.0000 C 0 0 0 0 0 0 0 0 0 2.3792 -2.4917 0.0000 O 0 0 0 0 0 0 0 0 0 1.6625 -3.7292 0.0000 N 0 0 0 0 0 0 0 0 0 5.0667 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 5.9292 -1.9000 0.0000 C 0 0 0 0 0 0 0 0 0 7.1417 -0.0875 0.0000 O 0 0 0 0 0 0 0 0 0 6.4875 -0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 3.0875 -2.0792 0.0000 C 0 0 0 0 0 0 0 0 0 3.8042 -5.7917 0.0000 Br 0 0 0 0 0 0 0 0 0 7.9042 -0.4042 0.0000 C 0 0 3 0 0 0 0 0 0 5.7250 -0.2667 0.0000 C 0 0 0 0 0 0 0 0 0 6.5917 -1.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0.9500 -3.3167 0.0000 O 0 0 0 0 0 0 0 0 0 5.2292 -3.3042 0.0000 C 0 0 0 0 0 0 0 0 0 8.0042 -1.2250 0.0000 C 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 3 1 1 0 0 0 4 3 1 0 0 0 5 4 2 0 0 0 6 2 1 0 0 0 7 1 1 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 2 2 0 0 0 11 23 1 0 0 0 12 11 3 0 0 0 13 5 1 0 0 0 14 13 2 0 0 0 15 6 2 0 0 0 16 6 1 0 0 0 17 7 1 0 0 0 18 7 2 0 0 0 19 20 1 0 0 0 20 25 2 0 0 0 21 3 1 0 0 0 22 14 1 0 0 0 23 19 1 0 0 0 24 17 2 0 0 0 25 18 1 0 0 0 26 16 1 0 0 0 27 5 1 0 0 0 28 23 1 0 0 0 20 24 1 0 0 0 10 14 1 0 0 0 M END > 6.36351210364663 > 5.81417464038704 $$$$ 11280715072D 1 1.00000 0.00000 0 42 44 0 1 0 999 V2000 8.4292 -3.0917 0.0000 N 0 0 0 0 0 0 0 0 0 7.7167 -3.5167 0.0000 C 0 0 0 0 0 0 0 0 0 5.5792 -3.1167 0.0000 P 0 0 3 0 0 0 0 0 0 7.0042 -3.1042 0.0000 C 0 0 3 0 0 0 0 0 0 9.1417 -3.5042 0.0000 C 0 0 2 0 0 0 0 0 0 9.8542 -3.0917 0.0000 C 0 0 0 0 0 0 0 0 0 6.2917 -3.5167 0.0000 C 0 0 0 0 0 0 0 0 0 9.1542 -4.3292 0.0000 C 0 0 3 0 0 0 0 0 0 1.2917 -2.3042 0.0000 C 0 0 0 0 0 0 0 0 0 5.5667 -2.2917 0.0000 O 0 0 0 0 0 0 0 0 0 7.7167 -4.3417 0.0000 O 0 0 0 0 0 0 0 0 0 2.0042 -1.8917 0.0000 C 0 0 0 0 0 0 0 0 0 6.9917 -2.2792 0.0000 C 0 0 0 0 0 0 0 0 0 9.8542 -2.2667 0.0000 O 0 0 0 0 0 0 0 0 0 4.8667 -3.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0.5667 -1.8917 0.0000 C 0 0 0 0 0 0 0 0 0 10.5792 -3.5042 0.0000 N 0 0 0 0 0 0 0 0 0 5.5667 -3.9417 0.0000 O 0 0 0 0 0 0 0 0 0 2.7167 -2.3042 0.0000 C 0 0 0 0 0 0 0 0 0 4.1417 -3.1167 0.0000 C 0 0 0 0 0 0 0 0 0 7.6917 0.6083 0.0000 C 0 0 0 0 0 0 0 0 0 7.7042 -1.0417 0.0000 C 0 0 0 0 0 0 0 0 0 7.7042 -1.8667 0.0000 C 0 0 0 0 0 0 0 0 0 7.6917 1.4333 0.0000 Cl 0 0 0 0 0 0 0 0 0 3.4167 -1.8792 0.0000 C 0 0 0 0 0 0 0 0 0 2.7167 -3.1292 0.0000 C 0 0 0 0 0 0 0 0 0 8.4167 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 6.9792 0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 3.4292 -3.5292 0.0000 C 0 0 0 0 0 0 0 0 0 4.1417 -2.2917 0.0000 C 0 0 0 0 0 0 0 0 0 6.9917 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 8.4167 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0.5667 -1.0792 0.0000 O 0 0 0 0 0 0 0 0 0 9.1667 -5.1542 0.0000 C 0 0 0 0 0 0 0 0 0 8.3292 -4.3292 0.0000 C 0 0 0 0 0 0 0 0 0 9.9792 -4.3292 0.0000 C 0 0 0 0 0 0 0 0 0 1.2917 -3.1417 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1458 -2.3167 0.0000 C 0 0 0 0 0 0 0 0 0 11.2917 -3.0792 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1458 -0.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0.5667 -3.5542 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1458 -3.1417 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 7 1 0 0 0 4 2 1 0 0 0 5 1 1 0 0 0 6 5 1 0 0 0 7 4 1 0 0 0 5 8 1 6 0 0 9 12 1 0 0 0 10 3 2 0 0 0 11 2 2 0 0 0 12 19 1 0 0 0 4 13 1 0 0 0 14 6 2 0 0 0 15 3 1 0 0 0 16 9 2 0 0 0 17 6 1 0 0 0 18 3 1 0 0 0 19 25 1 0 0 0 20 15 1 0 0 0 21 27 2 0 0 0 22 23 1 0 0 0 23 13 1 0 0 0 24 21 1 0 0 0 25 30 2 0 0 0 26 29 1 0 0 0 27 32 1 0 0 0 28 31 2 0 0 0 29 20 2 0 0 0 30 20 1 0 0 0 31 22 1 0 0 0 32 22 2 0 0 0 33 16 1 0 0 0 34 8 1 0 0 0 35 8 1 0 0 0 36 8 1 0 0 0 37 9 1 0 0 0 38 16 1 0 0 0 39 17 1 0 0 0 40 33 1 0 0 0 41 37 2 0 0 0 42 41 1 0 0 0 21 28 1 0 0 0 19 26 2 0 0 0 42 38 2 0 0 0 M END > 8.34678748622466 > 5.92081875395237 $$$$ 11280715502D 1 1.00000 0.00000 0 28 29 0 1 0 999 V2000 -1.6538 -11.3582 0.0000 C 0 0 0 0 0 0 0 0 0 -1.6550 -12.1846 0.0000 C 0 0 0 0 0 0 0 0 0 -0.9409 -12.5970 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2252 -12.1841 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2281 -11.3546 0.0000 C 0 0 0 0 0 0 0 0 0 -0.9427 -10.9458 0.0000 C 0 0 0 0 0 0 0 0 0 -2.3731 -12.6086 0.0000 S 0 0 3 0 0 0 0 0 0 -3.0966 -13.0313 0.0000 N 0 0 3 0 0 0 0 0 0 -1.9481 -13.3286 0.0000 O 0 0 0 0 0 0 0 0 0 -2.8005 -11.8876 0.0000 O 0 0 0 0 0 0 0 0 0 -3.8202 -12.6258 0.0000 C 0 0 2 0 0 0 0 0 0 -4.5291 -13.0452 0.0000 C 0 0 3 0 0 0 0 0 0 -4.5205 -13.8757 0.0000 S 0 0 0 0 0 0 0 0 0 -3.7885 -14.2769 0.0000 C 0 0 0 0 0 0 0 0 0 -3.0817 -13.8602 0.0000 C 0 0 0 0 0 0 0 0 0 -3.8353 -11.8019 0.0000 C 0 0 0 0 0 0 0 0 0 -3.1333 -11.3776 0.0000 O 0 0 0 0 0 0 0 0 0 -4.5606 -11.3979 0.0000 N 0 0 0 0 0 0 0 0 0 -4.5715 -10.5739 0.0000 O 0 0 0 0 0 0 0 0 0 0.4888 -10.9337 0.0000 O 0 0 0 0 0 0 0 0 0 1.2025 -11.3512 0.0000 C 0 0 0 0 0 0 0 0 0 1.1924 -12.1762 0.0000 C 0 0 0 0 0 0 0 0 0 1.1881 -13.0064 0.0000 C 0 0 0 0 0 0 0 0 0 1.1790 -13.8380 0.0000 C 0 0 0 0 0 0 0 0 0 -4.7447 -12.2489 0.0000 C 0 0 0 0 0 0 0 0 0 -5.3523 -12.9980 0.0000 C 0 0 0 0 0 0 0 0 0 0.4608 -14.2422 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2483 -13.8223 0.0000 O 0 0 0 0 0 0 0 0 0 11 12 1 6 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 3 4 2 0 0 0 11 16 1 0 0 0 7 8 1 0 0 0 16 17 2 0 0 0 16 18 1 0 0 0 7 9 2 0 0 0 18 19 1 0 0 0 4 5 1 0 0 0 5 20 1 0 0 0 7 10 2 0 0 0 20 21 1 0 0 0 8 11 1 0 0 0 21 22 1 0 0 0 2 3 1 0 0 0 22 23 3 0 0 0 5 6 2 0 0 0 23 24 1 0 0 0 6 1 1 0 0 0 12 25 1 0 0 0 1 2 2 0 0 0 12 26 1 0 0 0 2 7 1 0 0 0 24 27 1 0 0 0 8 15 1 0 0 0 27 28 1 0 0 0 M END > 7.85387196432176 > 7.45593195564972 $$$$ CDK 9/16/09,9:58 33 36 0 0 0 0 0 0 0 0999 V2000 -1.7759 -26.8040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7773 -27.6319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0640 -28.0449 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0660 -26.3910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0699 -25.5657 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7865 -25.1564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7904 -24.3311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0765 -23.9202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0800 -23.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7972 -22.6856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5123 -23.1059 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5054 -23.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3571 -25.1497 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.3530 -24.7316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0603 -25.8617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7734 -24.4371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0698 -25.1404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7795 -24.7230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7728 -23.8980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0506 -23.4923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3439 -23.9121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4834 -23.4783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2022 -23.8838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4911 -26.3919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4918 -25.5666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2055 -26.8052 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9205 -26.3931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3471 -26.8036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3465 -27.6276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4374 -27.8818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9214 -27.2149 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4365 -26.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6911 -25.7634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6 7 1 0 0 0 0 13 16 2 0 0 0 0 1 2 2 0 0 0 0 14 17 2 0 0 0 0 7 8 2 0 0 0 0 17 18 1 0 0 0 0 28 4 2 0 0 0 0 18 19 2 0 0 0 0 8 9 1 0 0 0 0 19 20 1 0 0 0 0 4 1 1 0 0 0 0 20 21 2 0 0 0 0 21 14 1 0 0 0 0 9 10 2 0 0 0 0 19 22 1 0 0 0 0 22 23 1 0 0 0 0 10 11 1 0 0 0 0 1 24 1 0 0 0 0 4 5 1 0 0 0 0 24 25 2 0 0 0 0 11 12 2 0 0 0 0 24 26 1 0 0 0 0 12 7 1 0 0 0 0 26 27 1 0 0 0 0 28 29 1 0 0 0 0 2 3 1 0 0 0 0 5 13 1 0 0 0 0 5 6 1 0 0 0 0 13 14 1 0 0 0 0 3 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 28 1 0 0 0 0 13 15 2 0 0 0 0 32 33 1 0 0 0 0 M END > 8 > 6.95467702121334 $$$$ 11280715052D 1 1.00000 0.00000 0 35 38 0 0 0 999 V2000 6.1875 -3.6667 0.0000 S 0 0 3 0 0 0 0 0 0 4.9250 -4.3375 0.0000 C 0 0 0 0 0 0 0 0 0 5.3625 -3.6375 0.0000 N 0 0 3 0 0 0 0 0 0 4.0917 -4.3042 0.0000 C 0 0 0 0 0 0 0 0 0 5.3042 -5.0667 0.0000 C 0 0 0 0 0 0 0 0 0 3.7042 -3.5750 0.0000 C 0 0 0 0 0 0 0 0 0 6.1042 -5.2792 0.0000 C 0 0 0 0 0 0 0 0 0 7.0125 -3.6667 0.0000 C 0 0 0 0 0 0 0 0 0 6.0417 -4.4917 0.0000 O 0 0 0 0 0 0 0 0 0 6.3917 -2.7417 0.0000 O 0 0 0 0 0 0 0 0 0 3.6542 -5.0042 0.0000 C 0 0 0 0 0 0 0 0 0 4.9792 -2.9042 0.0000 C 0 0 0 0 0 0 0 0 0 4.8667 -5.7667 0.0000 C 0 0 0 0 0 0 0 0 0 6.7375 -4.7667 0.0000 O 0 0 0 0 0 0 0 0 0 6.4000 -6.0542 0.0000 C 0 0 0 0 0 0 0 0 0 4.1542 -2.8750 0.0000 O 0 0 0 0 0 0 0 0 0 4.0417 -5.7292 0.0000 C 0 0 0 0 0 0 0 0 0 7.4250 -5.2167 0.0000 C 0 0 0 0 0 0 0 0 0 6.6792 -1.5417 0.0000 N 0 0 0 0 0 0 0 0 0 7.2042 -6.0125 0.0000 C 0 0 0 0 0 0 0 0 0 2.8792 -3.5417 0.0000 N 0 0 0 0 0 0 0 0 0 5.4167 -2.2125 0.0000 C 0 0 0 0 0 0 0 0 0 7.4167 -2.9542 0.0000 C 0 0 0 0 0 0 0 0 0 7.4167 -4.3792 0.0000 C 0 0 0 0 0 0 0 0 0 8.6542 -3.6667 0.0000 C 0 0 0 0 0 0 0 0 0 8.2417 -4.3792 0.0000 C 0 0 0 0 0 0 0 0 0 8.2375 -2.9542 0.0000 C 0 0 0 0 0 0 0 0 0 2.4417 -4.2417 0.0000 O 0 0 0 0 0 0 0 0 0 6.2500 -2.2417 0.0000 C 0 0 0 0 0 0 0 0 0 9.4792 -3.6625 0.0000 O 0 0 0 0 0 0 0 0 0 6.3000 -0.8042 0.0000 C 0 0 0 0 0 0 0 0 0 5.0375 -1.4750 0.0000 C 0 0 0 0 0 0 0 0 0 3.6000 -6.4292 0.0000 C 0 0 0 0 0 0 0 0 0 9.8917 -4.3792 0.0000 C 0 0 0 0 0 0 0 0 0 5.4792 -0.7792 0.0000 C 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 3 1 1 0 0 0 4 2 1 0 0 0 5 2 2 0 0 0 6 4 1 0 0 0 7 5 1 0 0 0 8 1 1 0 0 0 9 1 2 0 0 0 10 1 2 0 0 0 11 4 2 0 0 0 12 3 1 0 0 0 13 5 1 0 0 0 14 7 1 0 0 0 15 7 2 0 0 0 16 6 2 0 0 0 17 13 2 0 0 0 18 14 1 0 0 0 19 29 2 0 0 0 20 15 1 0 0 0 21 6 1 0 0 0 22 12 1 0 0 0 23 8 1 0 0 0 24 8 2 0 0 0 25 26 2 0 0 0 26 24 1 0 0 0 27 23 2 0 0 0 28 21 1 0 0 0 29 22 1 0 0 0 30 25 1 0 0 0 31 35 2 0 0 0 32 22 2 0 0 0 33 17 1 0 0 0 34 30 1 0 0 0 35 32 1 0 0 0 27 25 1 0 0 0 11 17 1 0 0 0 19 31 1 0 0 0 20 18 2 0 0 0 M END > 9 > 7.74472749489669 $$$$ 11280715462D 1 1.00000 0.00000 0 30 32 0 1 0 999 V2000 2.2917 -1.5667 0.0000 S 0 0 3 0 0 0 0 0 0 2.2875 -0.7417 0.0000 N 0 0 3 0 0 0 0 0 0 3.0000 -0.3167 0.0000 C 0 0 1 0 0 0 0 0 0 3.7167 -0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 1.5625 -0.3292 0.0000 C 0 0 0 0 0 0 0 0 0 2.2917 -2.3917 0.0000 C 0 0 0 0 0 0 0 0 0 1.4667 -1.5792 0.0000 O 0 0 0 0 0 0 0 0 0 3.1167 -1.5625 0.0000 O 0 0 0 0 0 0 0 0 0 2.9917 0.5083 0.0000 C 0 0 0 0 0 0 0 0 0 3.7250 -4.8667 0.0000 C 0 0 0 0 0 0 0 0 0 3.7250 -1.5500 0.0000 O 0 0 0 0 0 0 0 0 0 4.4375 -5.2792 0.0000 C 0 0 0 0 0 0 0 0 0 3.7167 -4.0500 0.0000 C 0 0 0 0 0 0 0 0 0 4.4292 -0.3042 0.0000 N 0 0 0 0 0 0 0 0 0 3.0125 -5.2792 0.0000 C 0 0 0 0 0 0 0 0 0 3.0125 -2.8042 0.0000 C 0 0 0 0 0 0 0 0 0 1.5792 -2.8042 0.0000 C 0 0 0 0 0 0 0 0 0 5.1542 -4.8750 0.0000 C 0 0 0 0 0 0 0 0 0 2.2917 -4.8667 0.0000 O 0 0 0 0 0 0 0 0 0 4.4292 -3.6292 0.0000 C 0 0 0 0 0 0 0 0 0 1.5542 0.4958 0.0000 C 0 0 1 0 0 0 0 0 0 2.2917 -4.0417 0.0000 C 0 0 0 0 0 0 0 0 0 2.2750 0.9208 0.0000 C 0 0 0 0 0 0 0 0 0 5.1542 -4.0417 0.0000 C 0 0 0 0 0 0 0 0 0 1.5792 -3.6292 0.0000 C 0 0 0 0 0 0 0 0 0 3.0125 -3.6292 0.0000 C 0 0 0 0 0 0 0 0 0 4.4292 -2.8042 0.0000 F 0 0 0 0 0 0 0 0 0 5.1417 -0.7167 0.0000 O 0 0 0 0 0 0 0 0 0 0.8417 0.9083 0.0000 O 0 0 0 0 0 0 0 0 0 4.4375 -6.1042 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 3 4 1 6 0 0 5 2 1 0 0 0 6 1 1 0 0 0 7 1 2 0 0 0 8 1 2 0 0 0 9 3 1 0 0 0 10 15 1 0 0 0 11 4 2 0 0 0 12 10 2 0 0 0 13 10 1 0 0 0 14 4 1 0 0 0 15 19 1 0 0 0 16 6 2 0 0 0 17 6 1 0 0 0 18 12 1 0 0 0 19 22 1 0 0 0 20 13 2 0 0 0 21 5 1 0 0 0 22 25 1 0 0 0 23 21 1 0 0 0 24 20 1 0 0 0 25 17 2 0 0 0 26 16 1 0 0 0 27 20 1 0 0 0 28 14 1 0 0 0 21 29 1 6 0 0 30 12 1 0 0 0 26 22 2 0 0 0 23 9 1 0 0 0 24 18 2 0 0 0 M END > 8.67778070526608 > 5.29242982390206 $$$$ 11280715442D 1 1.00000 0.00000 0 28 30 0 1 0 999 V2000 -0.7458 0.9583 0.0000 S 0 0 3 0 0 0 0 0 0 -0.7333 1.7833 0.0000 C 0 0 1 0 0 0 0 0 0 -0.0208 2.1875 0.0000 C 0 0 2 0 0 0 0 0 0 0.7000 1.7708 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7458 0.1333 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5708 0.9625 0.0000 O 0 0 0 0 0 0 0 0 0 0.0792 0.9583 0.0000 O 0 0 0 0 0 0 0 0 0 0.6792 0.9458 0.0000 O 0 0 0 0 0 0 0 0 0 1.4042 2.1708 0.0000 N 0 0 0 0 0 0 0 0 0 0.5667 2.7750 0.0000 O 0 0 0 0 0 0 0 0 0 -1.4458 2.1958 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7458 -2.3417 0.0000 O 0 0 0 0 0 0 0 0 0 -0.0083 3.0083 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7208 3.4333 0.0000 O 0 0 0 0 0 0 0 0 0 -0.0208 -2.7542 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0208 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 -1.4583 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7458 -1.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0.6792 -2.3417 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0333 -1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 -1.4583 -1.1042 0.0000 C 0 0 0 0 0 0 0 0 0 2.1167 1.7583 0.0000 O 0 0 0 0 0 0 0 0 0 1.4000 -2.7542 0.0000 C 0 0 0 0 0 0 0 0 0 -1.4458 3.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0.6792 -3.9917 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0333 -3.5792 0.0000 C 0 0 0 0 0 0 0 0 0 1.4042 -3.5792 0.0000 C 0 0 0 0 0 0 0 0 0 2.1042 -2.3375 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 6 0 0 3 2 1 0 0 0 3 4 1 6 0 0 5 1 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 4 2 0 0 0 9 4 1 0 0 0 3 10 1 1 0 0 11 2 1 0 0 0 12 18 1 0 0 0 13 3 1 0 0 0 14 24 1 0 0 0 15 12 1 0 0 0 16 5 2 0 0 0 17 5 1 0 0 0 18 21 1 0 0 0 19 15 1 0 0 0 20 16 1 0 0 0 21 17 2 0 0 0 22 9 1 0 0 0 23 19 2 0 0 0 24 11 1 0 0 0 25 26 1 0 0 0 26 15 2 0 0 0 27 25 2 0 0 0 28 23 1 0 0 0 20 18 2 0 0 0 13 14 1 0 0 0 23 27 1 0 0 0 M END > 8.95860731484177 > 6.56863623584101 $$$$ 11280715192D 1 1.00000 0.00000 0 29 31 0 1 0 999 V2000 8.6667 -2.6375 0.0000 S 0 0 3 0 0 0 0 0 0 3.9167 -0.3667 0.0000 N 0 0 0 0 0 0 0 0 0 5.2167 -1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 6.0792 -1.1250 0.0000 N 0 0 0 0 0 0 0 0 0 4.7792 -0.3667 0.0000 N 0 0 0 0 0 0 0 0 0 7.8042 -2.6292 0.0000 N 0 0 0 0 0 0 0 0 0 6.5042 -1.8792 0.0000 C 0 0 0 0 0 0 0 0 0 7.3750 -1.8792 0.0000 C 0 0 2 0 0 0 0 0 0 3.4792 -1.1042 0.0000 C 0 0 0 0 0 0 0 0 0 4.7750 -1.8667 0.0000 S 0 0 0 0 0 0 0 0 0 8.6667 -1.7750 0.0000 O 0 0 0 0 0 0 0 0 0 9.5292 -2.6375 0.0000 O 0 0 0 0 0 0 0 0 0 9.0917 -3.3917 0.0000 C 0 0 0 0 0 0 0 0 0 2.6167 -1.1042 0.0000 C 0 0 0 0 0 0 0 0 0 3.9125 -1.8667 0.0000 C 0 0 0 0 0 0 0 0 0 6.0667 -2.6250 0.0000 O 0 0 0 0 0 0 0 0 0 2.1875 -0.3542 0.0000 C 0 0 0 0 0 0 0 0 0 2.1875 -1.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0.8875 -1.1042 0.0000 C 0 0 0 0 0 0 0 0 0 1.3167 -1.8542 0.0000 C 0 0 0 0 0 0 0 0 0 1.3167 -0.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0.0167 -1.1000 0.0000 Cl 0 0 0 0 0 0 0 0 0 8.2042 -1.6542 0.0000 C 0 0 0 0 0 0 0 0 0 8.6500 -4.1292 0.0000 C 0 0 0 0 0 0 0 0 0 9.9542 -3.3917 0.0000 C 0 0 0 0 0 0 0 0 0 10.3792 -4.1417 0.0000 C 0 0 0 0 0 0 0 0 0 9.0750 -4.8875 0.0000 C 0 0 0 0 0 0 0 0 0 9.9417 -4.8917 0.0000 C 0 0 0 0 0 0 0 0 0 7.3667 -1.0167 0.0000 H 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 3 4 1 0 0 0 4 7 1 0 0 0 5 3 2 0 0 0 6 1 1 0 0 0 7 8 1 0 0 0 8 6 1 0 0 0 9 15 1 0 0 0 10 3 1 0 0 0 11 1 2 0 0 0 12 1 2 0 0 0 13 1 1 0 0 0 14 9 1 0 0 0 15 10 1 0 0 0 16 7 2 0 0 0 17 14 2 0 0 0 18 14 1 0 0 0 19 20 1 0 0 0 20 18 2 0 0 0 21 17 1 0 0 0 22 19 1 0 0 0 8 23 1 6 0 0 24 13 2 0 0 0 25 13 1 0 0 0 26 25 2 0 0 0 27 24 1 0 0 0 28 26 1 0 0 0 8 29 1 1 0 0 27 28 2 0 0 0 2 9 2 0 0 0 21 19 2 0 0 0 M END > 6.74472749489669 > 6.18708664335714 $$$$ 11280715462D 1 1.00000 0.00000 0 32 34 0 1 0 999 V2000 3.6125 -3.2542 0.0000 S 0 0 3 0 0 0 0 0 0 3.6125 -4.0792 0.0000 N 0 0 3 0 0 0 0 0 0 2.8917 -4.4917 0.0000 C 0 0 2 0 0 0 0 0 0 2.8917 -5.3167 0.0000 C 0 0 3 0 0 0 0 0 0 2.1792 -4.0792 0.0000 C 0 0 0 0 0 0 0 0 0 4.3292 -4.4917 0.0000 C 0 0 0 0 0 0 0 0 0 3.6167 -2.4292 0.0000 C 0 0 0 0 0 0 0 0 0 4.4375 -3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 2.7875 -3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 3.6042 -5.7375 0.0000 C 0 0 0 0 0 0 0 0 0 2.1792 -3.2542 0.0000 O 0 0 0 0 0 0 0 0 0 4.3292 -5.3250 0.0000 C 0 0 1 0 0 0 0 0 0 1.4667 -4.4917 0.0000 N 0 0 0 0 0 0 0 0 0 5.0667 0.0375 0.0000 C 0 0 0 0 0 0 0 0 0 4.3542 0.4583 0.0000 C 0 0 0 0 0 0 0 0 0 2.9042 -2.0125 0.0000 C 0 0 0 0 0 0 0 0 0 4.3292 -2.0167 0.0000 C 0 0 0 0 0 0 0 0 0 5.7792 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 3.6375 0.0500 0.0000 O 0 0 0 0 0 0 0 0 0 3.6292 -0.7750 0.0000 C 0 0 0 0 0 0 0 0 0 2.8875 -6.1417 0.0000 C 0 0 0 0 0 0 0 0 0 2.0667 -5.3167 0.0000 C 0 0 0 0 0 0 0 0 0 4.3417 -1.1917 0.0000 C 0 0 0 0 0 0 0 0 0 2.9125 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0.7500 -4.0792 0.0000 O 0 0 0 0 0 0 0 0 0 5.0417 -5.7417 0.0000 O 0 0 0 0 0 0 0 0 0 5.7875 1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 5.0542 -0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 6.4917 0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 6.5000 1.6833 0.0000 C 0 0 0 0 0 0 0 0 0 5.7667 -1.2042 0.0000 C 0 0 0 0 0 0 0 0 0 6.4875 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 3 5 1 6 0 0 6 2 1 0 0 0 7 1 1 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 12 1 0 0 0 11 5 2 0 0 0 12 6 1 0 0 0 13 5 1 0 0 0 14 15 1 0 0 0 15 19 1 0 0 0 16 7 2 0 0 0 17 7 1 0 0 0 18 14 1 0 0 0 19 20 1 0 0 0 20 23 1 0 0 0 21 4 1 0 0 0 22 4 1 0 0 0 23 17 2 0 0 0 24 16 1 0 0 0 25 13 1 0 0 0 12 26 1 6 0 0 27 18 1 0 0 0 28 14 2 0 0 0 29 18 2 0 0 0 30 27 1 0 0 0 31 28 1 0 0 0 32 31 2 0 0 0 24 20 2 0 0 0 10 4 1 0 0 0 32 29 1 0 0 0 M END > 7.44369749923271 > 5.82390874094432 $$$$ 11280715312D 1 1.00000 0.00000 0 33 35 0 1 0 999 V2000 3.7292 -2.6625 0.0000 N 0 0 3 0 0 0 0 0 0 3.7292 -2.0625 0.0000 S 0 0 3 0 0 0 0 0 0 3.2500 -3.0125 0.0000 C 0 0 2 0 0 0 0 0 0 4.2167 -3.0125 0.0000 C 0 0 0 0 0 0 0 0 0 4.3875 -4.0667 0.0000 N 0 0 3 0 0 0 0 0 0 4.0292 -3.5875 0.0000 C 0 0 1 0 0 0 0 0 0 3.4292 -3.5875 0.0000 C 0 0 0 0 0 0 0 0 0 4.9792 -4.0042 0.0000 C 0 0 0 0 0 0 0 0 0 2.6792 -2.8292 0.0000 C 0 0 0 0 0 0 0 0 0 4.2542 -1.7625 0.0000 C 0 0 0 0 0 0 0 0 0 3.1500 -1.9042 0.0000 O 0 0 0 0 0 0 0 0 0 3.7250 -1.4625 0.0000 O 0 0 0 0 0 0 0 0 0 4.1417 -4.6167 0.0000 C 0 0 0 0 0 0 0 0 0 5.2417 -3.4667 0.0000 O 0 0 0 0 0 0 0 0 0 2.5542 -2.2417 0.0000 O 0 0 0 0 0 0 0 0 0 2.2292 -3.2292 0.0000 N 0 0 0 0 0 0 0 0 0 2.6000 -4.2542 0.0000 N 0 0 0 0 0 0 0 0 0 3.5417 -4.6792 0.0000 C 0 0 0 0 0 0 0 0 0 5.3375 -4.4917 0.0000 C 0 0 3 0 0 0 0 0 0 4.2542 -1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 4.7750 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 5.2917 -1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 5.2917 -1.7625 0.0000 C 0 0 0 0 0 0 0 0 0 4.7667 -0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 1.6625 -3.0417 0.0000 O 0 0 0 0 0 0 0 0 0 3.1917 -4.1917 0.0000 C 0 0 0 0 0 0 0 0 0 5.8125 -0.8625 0.0000 O 0 0 0 0 0 0 0 0 0 2.3500 -4.8000 0.0000 C 0 0 0 0 0 0 0 0 0 3.2917 -5.2292 0.0000 C 0 0 0 0 0 0 0 0 0 5.9292 -4.4292 0.0000 C 0 0 0 0 0 0 0 0 0 5.0917 -5.0417 0.0000 C 0 0 0 0 0 0 0 0 0 6.3292 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 2.6917 -5.2792 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 1 1 0 0 0 6 5 1 1 0 0 6 4 1 0 0 0 3 7 1 6 0 0 8 5 1 0 0 0 9 3 1 0 0 0 10 2 1 0 0 0 11 2 2 0 0 0 12 2 2 0 0 0 13 5 1 0 0 0 14 8 2 0 0 0 15 9 2 0 0 0 16 9 1 0 0 0 17 26 2 0 0 0 18 13 1 0 0 0 19 8 1 0 0 0 20 10 1 0 0 0 21 10 2 0 0 0 22 23 2 0 0 0 23 21 1 0 0 0 24 20 2 0 0 0 25 16 1 0 0 0 26 18 1 0 0 0 27 22 1 0 0 0 28 33 2 0 0 0 29 18 2 0 0 0 30 19 1 0 0 0 31 19 1 0 0 0 32 27 1 0 0 0 33 29 1 0 0 0 6 7 1 0 0 0 22 24 1 0 0 0 28 17 1 0 0 0 M END > 7.76955107862173 > 6.56863623584101 $$$$ 11280715082D 1 1.00000 0.00000 0 27 28 0 0 0 999 V2000 5.3917 -3.3917 0.0000 S 0 0 3 0 0 0 0 0 0 6.1042 -2.9792 0.0000 C 0 0 3 0 0 0 0 0 0 6.8250 -3.3792 0.0000 C 0 0 0 0 0 0 0 0 0 4.5667 -3.4292 0.0000 C 0 0 0 0 0 0 0 0 0 4.8042 -3.9792 0.0000 O 0 0 0 0 0 0 0 0 0 5.9792 -3.9792 0.0000 O 0 0 0 0 0 0 0 0 0 5.3875 -2.5792 0.0000 C 0 0 0 0 0 0 0 0 0 6.8292 -4.2042 0.0000 O 0 0 0 0 0 0 0 0 0 7.5375 -2.9667 0.0000 N 0 0 0 0 0 0 0 0 0 4.6542 -0.5250 0.0000 N 0 0 0 0 0 0 0 0 0 4.1292 -2.7292 0.0000 C 0 0 0 0 0 0 0 0 0 4.1875 -4.1542 0.0000 C 0 0 0 0 0 0 0 0 0 6.8167 -2.5625 0.0000 C 0 0 0 0 0 0 0 0 0 5.3792 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 2.9167 -3.4917 0.0000 C 0 0 0 0 0 0 0 0 0 3.3625 -4.1917 0.0000 C 0 0 0 0 0 0 0 0 0 3.3000 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 8.2542 -3.3667 0.0000 O 0 0 0 0 0 0 0 0 0 2.0917 -3.5292 0.0000 O 0 0 0 0 0 0 0 0 0 4.6667 -1.3500 0.0000 C 0 0 0 0 0 0 0 0 0 5.3750 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 6.0917 -1.3292 0.0000 C 0 0 0 0 0 0 0 0 0 1.7125 -4.2542 0.0000 C 0 0 0 0 0 0 0 0 0 6.8125 -1.7375 0.0000 C 0 0 0 0 0 0 0 0 0 7.5250 -1.3167 0.0000 C 0 0 0 0 0 0 0 0 0 6.0917 -0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 7.5167 -0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 1 1 0 0 0 5 1 2 0 0 0 6 1 2 0 0 0 7 2 1 0 0 0 8 3 2 0 0 0 9 3 1 0 0 0 10 20 2 0 0 0 11 4 2 0 0 0 12 4 1 0 0 0 13 2 1 0 0 0 14 7 1 0 0 0 15 16 1 0 0 0 16 12 2 0 0 0 17 11 1 0 0 0 18 9 1 0 0 0 19 15 1 0 0 0 20 14 1 0 0 0 21 26 2 0 0 0 22 14 2 0 0 0 23 19 1 0 0 0 24 13 1 0 0 0 25 24 1 0 0 0 26 22 1 0 0 0 27 25 1 0 0 0 15 17 2 0 0 0 21 10 1 0 0 0 M END > 6.89619627904404 > 5.94309514866353 $$$$ 11280715332D 1 1.00000 0.00000 0 27 28 0 1 0 999 V2000 5.8250 -2.8042 0.0000 S 0 0 3 0 0 0 0 0 0 6.1125 -3.5792 0.0000 N 0 0 3 0 0 0 0 0 0 5.5792 -4.2167 0.0000 C 0 0 1 0 0 0 0 0 0 4.7542 -4.1667 0.0000 C 0 0 0 0 0 0 0 0 0 6.8750 -3.8917 0.0000 C 0 0 0 0 0 0 0 0 0 6.8167 -4.7167 0.0000 C 0 0 0 0 0 0 0 0 0 6.0167 -4.9042 0.0000 C 0 0 0 0 0 0 0 0 0 6.6042 -2.5167 0.0000 C 0 0 0 0 0 0 0 0 0 5.5375 -2.0250 0.0000 O 0 0 0 0 0 0 0 0 0 5.0417 -3.0917 0.0000 O 0 0 0 0 0 0 0 0 0 7.4417 -5.2542 0.0000 N 0 0 0 0 0 0 0 0 0 4.3792 -3.4375 0.0000 O 0 0 0 0 0 0 0 0 0 4.3042 -4.8667 0.0000 N 0 0 0 0 0 0 0 0 0 7.2292 -3.0417 0.0000 C 0 0 0 0 0 0 0 0 0 6.7417 -1.7042 0.0000 C 0 0 0 0 0 0 0 0 0 8.1500 -1.9500 0.0000 C 0 0 0 0 0 0 0 0 0 7.5167 -1.4167 0.0000 C 0 0 0 0 0 0 0 0 0 8.0042 -2.7542 0.0000 C 0 0 0 0 0 0 0 0 0 8.2167 -4.9792 0.0000 O 0 0 0 0 0 0 0 0 0 3.4792 -4.8167 0.0000 O 0 0 0 0 0 0 0 0 0 8.9292 -1.6667 0.0000 O 0 0 0 0 0 0 0 0 0 8.8417 -5.5167 0.0000 C 0 0 0 0 0 0 0 0 0 9.5667 -2.2000 0.0000 C 0 0 0 0 0 0 0 0 0 10.3417 -1.9167 0.0000 C 0 0 0 0 0 0 0 0 0 10.9667 -2.4542 0.0000 C 0 0 0 0 0 0 0 0 0 9.6167 -5.2417 0.0000 C 0 0 0 0 0 0 0 0 0 11.7417 -2.1792 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 2 1 0 0 0 6 5 1 0 0 0 3 7 1 6 0 0 8 1 1 0 0 0 9 1 2 0 0 0 10 1 2 0 0 0 11 6 2 0 0 0 12 4 2 0 0 0 13 4 1 0 0 0 14 8 2 0 0 0 15 8 1 0 0 0 16 17 1 0 0 0 17 15 2 0 0 0 18 14 1 0 0 0 19 11 1 0 0 0 20 13 1 0 0 0 21 16 1 0 0 0 22 19 1 0 0 0 23 21 1 0 0 0 24 23 1 0 0 0 25 24 1 0 0 0 26 22 1 0 0 0 27 25 1 0 0 0 16 18 2 0 0 0 6 7 1 0 0 0 M END > 9.30102999566398 > 7.4089353929735 $$$$ SciTegic06141115222D 24 24 0 0 0 0 999 V2000 6.5749 -4.2258 0.0000 C 0 0 6.5745 -3.3940 0.0000 C 0 0 5.8570 -2.9806 0.0000 C 0 0 5.1350 -3.3977 0.0000 C 0 0 5.1400 -4.2329 0.0000 C 0 0 5.8626 -4.6422 0.0000 C 0 0 7.2943 -4.6381 0.0000 O 0 0 8.0110 -4.2214 0.0000 C 0 0 8.7304 -4.6337 0.0000 C 0 0 9.4541 -5.0484 0.0000 C 0 0 10.1735 -5.4607 0.0000 C 0 0 4.4156 -2.9855 0.0000 S 0 3 4.4130 -2.1563 0.0000 O 0 5 3.6988 -3.4022 0.0000 C 0 0 2.9796 -2.9900 0.0000 C 0 0 2.2629 -3.4067 0.0000 N 0 0 2.9770 -2.1608 0.0000 O 0 0 1.5435 -2.9945 0.0000 O 0 0 3.7015 -4.2314 0.0000 C 0 0 2.9847 -4.6481 0.0000 C 0 0 2.2654 -4.2359 0.0000 C 0 0 1.5487 -4.6527 0.0000 C 0 0 0.8294 -4.2404 0.0000 C 0 0 0.1127 -4.6573 0.0000 C 0 0 4 12 1 0 6 1 1 0 12 13 1 0 1 2 2 0 12 14 1 0 1 7 1 0 14 15 1 0 3 4 2 0 15 16 1 0 7 8 1 0 15 17 2 0 16 18 1 0 8 9 1 0 14 19 1 0 4 5 1 0 19 20 1 0 9 10 3 0 20 21 1 0 2 3 1 0 21 22 1 0 10 11 1 0 22 23 1 0 5 6 2 0 23 24 1 0 M CHG 2 12 1 13 -1 M END > 6.82390874094432 > 5.52287874528034 $$$$ 11280715312D 1 1.00000 0.00000 0 32 34 0 1 0 999 V2000 0.0167 -2.0292 0.0000 N 0 0 3 0 0 0 0 0 0 0.0167 -1.4292 0.0000 S 0 0 3 0 0 0 0 0 0 0.6667 -3.4417 0.0000 N 0 0 3 0 0 0 0 0 0 1.2750 -3.4417 0.0000 C 0 0 0 0 0 0 0 0 0 -0.4708 -2.3792 0.0000 C 0 0 2 0 0 0 0 0 0 0.4875 -4.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0.3167 -2.9542 0.0000 C 0 0 2 0 0 0 0 0 0 1.4542 -4.0042 0.0000 N 0 0 0 0 0 0 0 0 0 0.5042 -2.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0.9750 -4.3625 0.0000 C 0 0 3 0 0 0 0 0 0 -0.2833 -2.9542 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0375 -2.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0.5375 -1.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0.0125 -0.8292 0.0000 O 0 0 0 0 0 0 0 0 0 -0.5708 -1.2750 0.0000 O 0 0 0 0 0 0 0 0 0 1.6250 -2.9542 0.0000 O 0 0 0 0 0 0 0 0 0 0.0250 -4.2042 0.0000 O 0 0 0 0 0 0 0 0 0 -1.1625 -1.6125 0.0000 O 0 0 0 0 0 0 0 0 0 -1.4833 -2.6000 0.0000 N 0 0 0 0 0 0 0 0 0 0.5375 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 1.0542 -1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 1.5792 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 1.5792 -1.1292 0.0000 C 0 0 0 0 0 0 0 0 0 1.0542 -0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0.5500 -4.7792 0.0000 C 0 0 0 0 0 0 0 0 0 1.3917 -4.7792 0.0000 C 0 0 0 0 0 0 0 0 0 -2.0583 -2.4167 0.0000 O 0 0 0 0 0 0 0 0 0 2.0917 -0.2292 0.0000 O 0 0 0 0 0 0 0 0 0 2.6167 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 3.1292 -0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 3.6500 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 4.1667 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 7 3 1 1 0 0 4 3 1 0 0 0 5 1 1 0 0 0 6 3 1 0 0 0 7 9 1 0 0 0 8 4 1 0 0 0 9 1 1 0 0 0 10 6 1 0 0 0 5 11 1 6 0 0 12 5 1 0 0 0 13 2 1 0 0 0 14 2 2 0 0 0 15 2 2 0 0 0 16 4 2 0 0 0 17 6 2 0 0 0 18 12 2 0 0 0 19 12 1 0 0 0 20 13 1 0 0 0 21 13 2 0 0 0 22 23 2 0 0 0 23 21 1 0 0 0 24 20 2 0 0 0 25 10 1 0 0 0 26 10 1 0 0 0 27 19 1 0 0 0 28 22 1 0 0 0 29 28 1 0 0 0 30 29 1 0 0 0 31 30 1 0 0 0 32 31 1 0 0 0 7 11 1 0 0 0 22 24 1 0 0 0 8 10 1 0 0 0 M END > 9.30102999566398 > 6.10790539730952 $$$$ 11280715062D 1 1.00000 0.00000 0 31 33 0 1 0 999 V2000 -1.9708 -0.7625 0.0000 N 0 0 3 0 0 0 0 0 0 -2.7875 -0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 -1.6458 -1.5167 0.0000 C 0 0 0 0 0 0 0 0 0 -2.9625 -1.6417 0.0000 N 0 0 3 0 0 0 0 0 0 -2.2583 -2.0625 0.0000 C 0 0 3 0 0 0 0 0 0 -1.2583 0.4750 0.0000 C 0 0 1 0 0 0 0 0 0 -0.5458 0.8875 0.0000 C 0 0 2 0 0 0 0 0 0 0.1667 0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 -1.2583 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0.8875 0.8875 0.0000 N 0 0 3 0 0 0 0 0 0 -1.9708 0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 -3.3375 -0.2292 0.0000 O 0 0 0 0 0 0 0 0 0 -0.8375 -1.6917 0.0000 O 0 0 0 0 0 0 0 0 0 -0.5458 1.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0.1667 -0.3500 0.0000 O 0 0 0 0 0 0 0 0 0 -1.9708 1.7125 0.0000 O 0 0 0 0 0 0 0 0 0 -2.6833 0.4750 0.0000 N 0 0 0 0 0 0 0 0 0 -3.7208 -1.9667 0.0000 C 0 0 0 0 0 0 0 0 0 -2.1833 -2.8792 0.0000 C 0 0 0 0 0 0 0 0 0 -1.6750 -2.6417 0.0000 C 0 0 0 0 0 0 0 0 0 -3.4833 0.2625 0.0000 O 0 0 0 0 0 0 0 0 0 1.6000 0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0.8792 1.7125 0.0000 C 0 0 0 0 0 0 0 0 0 -0.9583 2.4333 0.0000 C 0 0 3 0 0 0 0 0 0 -0.6208 3.2083 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7875 2.5250 0.0000 C 0 0 0 0 0 0 0 0 0 2.3125 0.8833 0.0000 C 0 0 0 0 0 0 0 0 0 1.6042 2.1208 0.0000 C 0 0 0 0 0 0 0 0 0 -1.9708 3.3375 0.0000 C 0 0 0 0 0 0 0 0 0 -1.2458 3.7583 0.0000 C 0 0 0 0 0 0 0 0 0 2.3167 1.7083 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 2 1 0 0 0 5 3 1 0 0 0 6 9 1 1 0 0 7 6 1 0 0 0 8 7 1 0 0 0 9 1 1 0 0 0 10 8 1 0 0 0 11 6 1 0 0 0 12 2 2 0 0 0 13 3 2 0 0 0 7 14 1 1 0 0 15 8 2 0 0 0 16 11 2 0 0 0 17 11 1 0 0 0 18 4 1 0 0 0 19 5 1 0 0 0 20 5 1 0 0 0 21 17 1 0 0 0 22 10 1 0 0 0 23 10 1 0 0 0 24 14 1 0 0 0 25 24 1 0 0 0 26 24 1 0 0 0 27 22 1 0 0 0 28 23 1 0 0 0 29 26 1 0 0 0 30 25 1 0 0 0 31 28 1 0 0 0 4 5 1 0 0 0 29 30 1 0 0 0 31 27 1 0 0 0 M END > 8.15490195998574 > 8.15490195998574 $$$$ 11280715082D 1 1.00000 0.00000 0 35 37 0 0 0 999 V2000 6.5500 -5.0000 0.0000 S 0 0 3 0 0 0 0 0 0 5.7625 -5.0042 0.0000 N 0 0 3 0 0 0 0 0 0 5.4625 -5.5250 0.0000 C 0 0 0 0 0 0 0 0 0 4.8625 -5.5250 0.0000 C 0 0 0 0 0 0 0 0 0 4.5542 -5.0042 0.0000 C 0 0 0 0 0 0 0 0 0 7.1500 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 7.3042 -6.5250 0.0000 C 0 0 0 0 0 0 0 0 0 7.0167 -4.2500 0.0000 O 0 0 0 0 0 0 0 0 0 6.3042 -4.3125 0.0000 O 0 0 0 0 0 0 0 0 0 5.4542 -4.4792 0.0000 C 0 0 0 0 0 0 0 0 0 5.7625 -6.0417 0.0000 C 0 0 0 0 0 0 0 0 0 6.3917 -6.0292 0.0000 O 0 0 0 0 0 0 0 0 0 4.8917 -4.3417 0.0000 O 0 0 0 0 0 0 0 0 0 7.5917 -6.0000 0.0000 O 0 0 0 0 0 0 0 0 0 3.9542 -5.0042 0.0000 N 0 0 0 0 0 0 0 0 0 7.6167 -7.0375 0.0000 N 0 0 0 0 0 0 0 0 0 7.4417 -5.5167 0.0000 C 0 0 0 0 0 0 0 0 0 7.4417 -4.4792 0.0000 C 0 0 0 0 0 0 0 0 0 6.7042 -6.5375 0.0000 C 0 0 0 0 0 0 0 0 0 4.5667 -6.0417 0.0000 C 0 0 0 0 0 0 0 0 0 8.3417 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 5.7542 -3.9625 0.0000 C 0 0 0 0 0 0 0 0 0 8.0417 -5.5167 0.0000 C 0 0 0 0 0 0 0 0 0 8.0417 -4.4792 0.0000 C 0 0 0 0 0 0 0 0 0 7.6125 -7.9292 0.0000 O 0 0 0 0 0 0 0 0 0 3.6125 -4.3125 0.0000 O 0 0 0 0 0 0 0 0 0 8.9417 -5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 4.8625 -6.5542 0.0000 C 0 0 0 0 0 0 0 0 0 5.4625 -6.5542 0.0000 C 0 0 0 0 0 0 0 0 0 5.4542 -3.4500 0.0000 C 0 0 0 0 0 0 0 0 0 6.3542 -3.9625 0.0000 C 0 0 0 0 0 0 0 0 0 9.2417 -5.5167 0.0000 C 0 0 0 0 0 0 0 0 0 5.7542 -2.9292 0.0000 C 0 0 0 0 0 0 0 0 0 6.6542 -3.4417 0.0000 C 0 0 0 0 0 0 0 0 0 6.3542 -2.9250 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 6 1 1 0 0 0 7 19 1 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 2 1 0 0 0 11 3 2 0 0 0 12 11 1 0 0 0 13 5 2 0 0 0 14 7 2 0 0 0 15 5 1 0 0 0 16 7 1 0 0 0 17 6 2 0 0 0 18 6 1 0 0 0 19 12 1 0 0 0 20 4 2 0 0 0 21 24 1 0 0 0 22 10 1 0 0 0 23 17 1 0 0 0 24 18 2 0 0 0 25 16 1 0 0 0 26 15 1 0 0 0 27 21 1 0 0 0 28 29 2 0 0 0 29 11 1 0 0 0 30 22 1 0 0 0 31 22 2 0 0 0 32 27 1 0 0 0 33 30 2 0 0 0 34 31 1 0 0 0 35 34 2 0 0 0 21 23 2 0 0 0 28 20 1 0 0 0 33 35 1 0 0 0 M END > 9 > 7.61978875828839 $$$$ CDK 5/12/10,14:52 28 29 0 0 0 0 0 0 0 0999 V2000 -4.1542 -21.4500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4397 -21.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7252 -21.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4397 -20.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8686 -21.0375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0108 -21.0375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7252 -22.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4397 -22.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0108 -22.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2963 -21.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0108 -20.2125 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.2963 -19.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4292 -19.4917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8125 -20.4208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1319 -19.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1324 -18.9774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5871 -18.5650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2982 -18.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8441 -18.5648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5594 -18.9781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2728 -18.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2722 -17.7395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5522 -17.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8417 -17.7432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5818 -20.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4750 -21.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0589 -22.1582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0661 -20.7293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12 25 2 0 0 0 0 2 4 2 0 0 0 0 25 15 1 0 0 0 0 7 8 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 7 9 1 0 0 0 0 17 18 2 0 0 0 0 18 12 1 0 0 0 0 1 5 1 0 0 0 0 6 10 1 0 0 0 0 19 20 2 0 0 0 0 2 3 1 0 0 0 0 20 21 1 0 0 0 0 6 11 1 0 0 0 0 21 22 2 0 0 0 0 3 6 1 0 0 0 0 22 23 1 0 0 0 0 11 12 1 0 0 0 0 23 24 2 0 0 0 0 24 19 1 0 0 0 0 16 19 1 0 0 0 0 1 2 1 0 0 0 0 11 13 2 0 0 0 0 10 26 1 0 0 0 0 3 7 1 6 0 0 0 26 27 1 0 0 0 0 11 14 2 0 0 0 0 26 28 1 0 0 0 0 M END > 8.38721614328026 > 6.83268266525182 $$$$ 11280715012D 1 1.00000 0.00000 0 29 31 0 1 0 999 V2000 3.9875 -1.9792 0.0000 S 0 0 3 0 0 0 0 0 0 3.2667 -1.5667 0.0000 N 0 0 0 0 0 0 0 0 0 2.5500 -1.9792 0.0000 C 0 0 1 0 0 0 0 0 0 1.8375 -1.5667 0.0000 C 0 0 0 0 0 0 0 0 0 4.7000 -1.5667 0.0000 C 0 0 0 0 0 0 0 0 0 4.5667 -2.5667 0.0000 O 0 0 0 0 0 0 0 0 0 3.4000 -2.5667 0.0000 O 0 0 0 0 0 0 0 0 0 2.5542 -2.8042 0.0000 C 0 0 3 0 0 0 0 0 0 6.1292 -0.7417 0.0000 C 0 0 0 0 0 0 0 0 0 6.8417 -0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 1.8375 -0.7417 0.0000 O 0 0 0 0 0 0 0 0 0 2.5500 -4.4417 0.0000 C 0 0 0 0 0 0 0 0 0 5.4125 -1.9792 0.0000 C 0 0 0 0 0 0 0 0 0 4.7000 -0.7417 0.0000 C 0 0 0 0 0 0 0 0 0 6.1292 -1.5667 0.0000 C 0 0 0 0 0 0 0 0 0 5.4125 -0.3292 0.0000 C 0 0 0 0 0 0 0 0 0 2.5500 -5.2750 0.0000 O 0 0 0 0 0 0 0 0 0 7.5542 -0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 6.8375 0.4958 0.0000 C 0 0 0 0 0 0 0 0 0 1.8375 -3.2167 0.0000 C 0 0 0 0 0 0 0 0 0 3.2667 -3.2125 0.0000 C 0 0 0 0 0 0 0 0 0 1.1250 -1.9792 0.0000 O 0 0 0 0 0 0 0 0 0 1.8375 -4.0375 0.0000 C 0 0 0 0 0 0 0 0 0 3.2625 -4.0375 0.0000 C 0 0 0 0 0 0 0 0 0 8.2625 0.5083 0.0000 C 0 0 0 0 0 0 0 0 0 8.2667 -0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 7.5417 0.9125 0.0000 C 0 0 0 0 0 0 0 0 0 8.9750 0.9208 0.0000 O 0 0 0 0 0 0 0 0 0 9.6917 0.5083 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 6 0 0 4 3 1 0 0 0 5 1 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 3 1 0 0 0 9 16 2 0 0 0 10 9 1 0 0 0 11 4 2 0 0 0 12 24 1 0 0 0 13 5 1 0 0 0 14 5 2 0 0 0 15 13 2 0 0 0 16 14 1 0 0 0 17 12 2 0 0 0 18 10 2 0 0 0 19 10 1 0 0 0 20 8 1 0 0 0 21 8 1 0 0 0 22 4 1 0 0 0 23 20 1 0 0 0 24 21 1 0 0 0 25 27 1 0 0 0 26 18 1 0 0 0 27 19 2 0 0 0 28 25 1 0 0 0 29 28 1 0 0 0 15 9 1 0 0 0 23 12 1 0 0 0 26 25 2 0 0 0 M END > 6.69897000433602 > 5.04817696468409 $$$$ 11280715152D 1 1.00000 0.00000 0 28 29 0 1 0 999 V2000 4.0792 -5.2625 0.0000 S 0 0 3 0 0 0 0 0 0 4.4542 -3.0542 0.0000 C 0 0 2 0 0 0 0 0 0 5.1667 -2.6417 0.0000 C 0 0 2 0 0 0 0 0 0 5.8792 -3.0542 0.0000 C 0 0 0 0 0 0 0 0 0 3.8667 -4.4667 0.0000 N 0 0 3 0 0 0 0 0 0 4.4542 -3.8792 0.0000 C 0 0 0 0 0 0 0 0 0 6.6000 -2.6417 0.0000 N 0 0 3 0 0 0 0 0 0 3.7417 -2.6417 0.0000 C 0 0 0 0 0 0 0 0 0 3.2792 -5.4750 0.0000 O 0 0 0 0 0 0 0 0 0 4.8750 -5.0417 0.0000 O 0 0 0 0 0 0 0 0 0 5.1667 -1.8167 0.0000 C 0 0 0 0 0 0 0 0 0 5.8792 -3.8792 0.0000 O 0 0 0 0 0 0 0 0 0 3.7417 -1.8167 0.0000 O 0 0 0 0 0 0 0 0 0 3.0292 -3.0542 0.0000 N 0 0 0 0 0 0 0 0 0 4.2917 -6.0542 0.0000 C 0 0 0 0 0 0 0 0 0 2.3125 -2.6417 0.0000 O 0 0 0 0 0 0 0 0 0 7.3042 -3.0542 0.0000 C 0 0 0 0 0 0 0 0 0 6.5917 -1.8167 0.0000 C 0 0 0 0 0 0 0 0 0 5.7542 -1.2292 0.0000 C 0 0 3 0 0 0 0 0 0 3.0417 -4.4625 0.0000 C 0 0 0 0 0 0 0 0 0 6.5667 -1.3542 0.0000 C 0 0 0 0 0 0 0 0 0 5.6167 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 3.7167 -6.6417 0.0000 C 0 0 0 0 0 0 0 0 0 8.0167 -2.6500 0.0000 C 0 0 0 0 0 0 0 0 0 7.3125 -1.4042 0.0000 C 0 0 0 0 0 0 0 0 0 6.9417 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 6.3542 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 8.0250 -1.8250 0.0000 C 0 0 0 0 0 0 0 0 0 2 6 1 6 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 1 1 0 0 0 6 5 1 0 0 0 7 4 1 0 0 0 8 2 1 0 0 0 9 1 2 0 0 0 10 1 2 0 0 0 3 11 1 1 0 0 12 4 2 0 0 0 13 8 2 0 0 0 14 8 1 0 0 0 15 1 1 0 0 0 16 14 1 0 0 0 17 7 1 0 0 0 18 7 1 0 0 0 19 11 1 0 0 0 20 5 1 0 0 0 21 19 1 0 0 0 22 19 1 0 0 0 23 15 1 0 0 0 24 17 1 0 0 0 25 18 1 0 0 0 26 21 1 0 0 0 27 22 1 0 0 0 28 25 1 0 0 0 26 27 1 0 0 0 24 28 1 0 0 0 M END > 7.39794000867204 > 8.22184874961636 $$$$ 11280715512D 1 1.00000 0.00000 0 26 27 0 1 0 999 V2000 13.4718 -2.6521 0.0000 C 0 0 0 0 0 0 0 0 0 13.4706 -3.4789 0.0000 C 0 0 0 0 0 0 0 0 0 14.1849 -3.8915 0.0000 C 0 0 0 0 0 0 0 0 0 14.9008 -3.4784 0.0000 C 0 0 0 0 0 0 0 0 0 14.8979 -2.6485 0.0000 C 0 0 0 0 0 0 0 0 0 14.1831 -2.2397 0.0000 C 0 0 0 0 0 0 0 0 0 12.7522 -3.9030 0.0000 S 0 0 3 0 0 0 0 0 0 12.0285 -4.3259 0.0000 N 0 0 3 0 0 0 0 0 0 13.1773 -4.6232 0.0000 O 0 0 0 0 0 0 0 0 0 12.3246 -3.1818 0.0000 O 0 0 0 0 0 0 0 0 0 11.3045 -3.9204 0.0000 C 0 0 2 0 0 0 0 0 0 10.5954 -4.3397 0.0000 C 0 0 3 0 0 0 0 0 0 10.6040 -5.1705 0.0000 S 0 0 0 0 0 0 0 0 0 11.3362 -5.5719 0.0000 C 0 0 0 0 0 0 0 0 0 12.0434 -5.1551 0.0000 C 0 0 0 0 0 0 0 0 0 11.2894 -3.0960 0.0000 C 0 0 0 0 0 0 0 0 0 11.9917 -2.6715 0.0000 O 0 0 0 0 0 0 0 0 0 10.5638 -2.6918 0.0000 N 0 0 0 0 0 0 0 0 0 10.5529 -1.8676 0.0000 O 0 0 0 0 0 0 0 0 0 15.6150 -2.2276 0.0000 O 0 0 0 0 0 0 0 0 0 16.3290 -2.6451 0.0000 C 0 0 0 0 0 0 0 0 0 16.3189 -3.4705 0.0000 C 0 0 0 0 0 0 0 0 0 10.3797 -3.5431 0.0000 C 0 0 0 0 0 0 0 0 0 9.7718 -4.2925 0.0000 C 0 0 0 0 0 0 0 0 0 17.0277 -3.8913 0.0000 C 0 0 0 0 0 0 0 0 0 17.0177 -4.7156 0.0000 C 0 0 0 0 0 0 0 0 0 2 7 1 0 0 0 8 15 1 0 0 0 11 12 1 6 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 3 4 2 0 0 0 11 16 1 0 0 0 7 8 1 0 0 0 16 17 2 0 0 0 16 18 1 0 0 0 7 9 2 0 0 0 18 19 1 0 0 0 4 5 1 0 0 0 5 20 1 0 0 0 7 10 2 0 0 0 20 21 1 0 0 0 8 11 1 0 0 0 21 22 1 0 0 0 2 3 1 0 0 0 12 23 1 0 0 0 5 6 2 0 0 0 12 24 1 0 0 0 6 1 1 0 0 0 22 25 1 0 0 0 1 2 2 0 0 0 25 26 1 0 0 0 M END > 8.04575749056067 > 8.15490195998574 $$$$ 11280715512D 1 1.00000 0.00000 0 25 26 0 1 0 999 V2000 5.5882 2.1601 0.0000 C 0 0 0 0 0 0 0 0 0 5.5870 1.3337 0.0000 C 0 0 0 0 0 0 0 0 0 6.3011 0.9213 0.0000 C 0 0 0 0 0 0 0 0 0 7.0167 1.3341 0.0000 C 0 0 0 0 0 0 0 0 0 7.0138 2.1638 0.0000 C 0 0 0 0 0 0 0 0 0 6.2993 2.5724 0.0000 C 0 0 0 0 0 0 0 0 0 4.8689 0.9097 0.0000 S 0 0 3 0 0 0 0 0 0 4.1454 0.4870 0.0000 N 0 0 3 0 0 0 0 0 0 5.2938 0.1898 0.0000 O 0 0 0 0 0 0 0 0 0 4.4415 1.6307 0.0000 O 0 0 0 0 0 0 0 0 0 3.4217 0.8924 0.0000 C 0 0 2 0 0 0 0 0 0 2.7129 0.4731 0.0000 C 0 0 3 0 0 0 0 0 0 2.7215 -0.3573 0.0000 S 0 0 0 0 0 0 0 0 0 3.4535 -0.7587 0.0000 C 0 0 0 0 0 0 0 0 0 4.1603 -0.3419 0.0000 C 0 0 0 0 0 0 0 0 0 3.4066 1.7164 0.0000 C 0 0 0 0 0 0 0 0 0 4.1086 2.1406 0.0000 O 0 0 0 0 0 0 0 0 0 2.6813 2.1203 0.0000 N 0 0 0 0 0 0 0 0 0 2.6704 2.9444 0.0000 O 0 0 0 0 0 0 0 0 0 7.7307 2.5846 0.0000 O 0 0 0 0 0 0 0 0 0 8.4444 2.1671 0.0000 C 0 0 0 0 0 0 0 0 0 8.4343 1.3421 0.0000 C 0 0 0 0 0 0 0 0 0 8.4300 0.5119 0.0000 C 0 0 0 0 0 0 0 0 0 2.4972 1.2694 0.0000 C 0 0 0 0 0 0 0 0 0 1.8896 0.5202 0.0000 C 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 7 1 0 0 0 8 15 1 0 0 0 11 12 1 6 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 3 4 2 0 0 0 11 16 1 0 0 0 7 8 1 0 0 0 16 17 2 0 0 0 16 18 1 0 0 0 7 9 2 0 0 0 18 19 1 0 0 0 4 5 1 0 0 0 5 20 1 0 0 0 7 10 2 0 0 0 20 21 1 0 0 0 8 11 1 0 0 0 21 22 1 0 0 0 2 3 1 0 0 0 22 23 3 0 0 0 5 6 2 0 0 0 12 24 1 0 0 0 6 1 1 0 0 0 12 25 1 0 0 0 M END > 9 > 9 $$$$ SciTegic11161115462D 32 35 0 0 0 0 999 V2000 -2.8512 -2.5961 0.0000 C 0 0 -3.5674 -3.0076 0.0000 C 0 0 -3.5692 -3.8290 0.0000 C 0 0 -2.8564 -4.2452 0.0000 N 0 0 -2.1402 -3.8337 0.0000 C 0 0 -2.1368 -3.0061 0.0000 C 0 0 -2.1368 -2.1835 0.0000 S 0 0 -1.7245 -1.4689 0.0000 O 0 0 -2.5495 -1.4691 0.0000 O 0 0 -1.4223 -2.5958 0.0000 C 0 0 -1.4234 -3.4232 0.0000 C 0 0 -0.7086 -3.8360 0.0000 C 0 0 0.0078 -3.4227 0.0000 C 0 0 0.0050 -2.5922 0.0000 C 0 0 -0.7104 -2.1830 0.0000 C 0 0 0.7230 -3.8341 0.0000 O 0 0 -3.5658 -2.1838 0.0000 C 0 0 -3.5660 -1.3588 0.0000 O 0 0 -4.2801 -2.5965 0.0000 N 0 0 -4.9947 -2.1841 0.0000 O 0 0 1.4368 -3.4204 0.0000 C 0 0 2.1485 -3.8323 0.0000 C 0 0 2.1409 -2.1822 0.0000 C 0 0 1.4305 -2.5975 0.0000 C 0 0 -2.8594 -5.0702 0.0000 C 0 0 -2.1466 -5.4811 0.0000 C 0 0 -1.4365 -5.9011 0.0000 C 0 0 2.8610 -2.5934 0.0000 C 0 0 2.8647 -3.4154 0.0000 C 0 0 3.6476 -3.6659 0.0000 O 0 0 4.1278 -2.9987 0.0000 C 0 0 3.6416 -2.3360 0.0000 O 0 0 10 7 1 0 7 1 1 0 1 2 1 0 1 17 1 0 1 6 1 0 17 18 2 0 2 3 1 0 17 19 1 0 3 4 1 0 19 20 1 0 10 11 2 0 16 21 1 0 4 5 1 0 21 22 2 0 22 29 1 0 11 12 1 0 28 23 1 0 5 6 1 0 23 24 2 0 24 21 1 0 12 13 2 0 4 25 1 0 8 7 2 0 25 26 1 0 13 14 1 0 26 27 3 0 28 29 2 0 7 9 2 0 14 15 2 0 15 10 1 0 13 16 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 28 1 0 M END > 9.22184874961636 > 5.69897000433602 $$$$ 11280715162D 1 1.00000 0.00000 0 33 36 0 0 0 999 V2000 13.7792 -4.7875 0.0000 N 0 0 0 0 0 0 0 0 0 12.9792 -4.5667 0.0000 N 0 0 3 0 0 0 0 0 0 12.4000 -5.1500 0.0000 C 0 0 0 0 0 0 0 0 0 13.9917 -5.5667 0.0000 N 0 0 0 0 0 0 0 0 0 12.6167 -5.9417 0.0000 C 0 0 0 0 0 0 0 0 0 13.7125 -1.8125 0.0000 C 0 0 0 0 0 0 0 0 0 13.4125 -6.1542 0.0000 C 0 0 0 0 0 0 0 0 0 13.1292 -2.3917 0.0000 C 0 0 3 0 0 0 0 0 0 12.7542 -3.7667 0.0000 C 0 0 0 0 0 0 0 0 0 11.6000 -4.9292 0.0000 O 0 0 0 0 0 0 0 0 0 9.3792 -2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 8.5875 -1.9417 0.0000 C 0 0 0 0 0 0 0 0 0 13.3417 -3.1792 0.0000 C 0 0 0 0 0 0 0 0 0 14.5000 -2.0167 0.0000 O 0 0 0 0 0 0 0 0 0 12.3417 -2.1875 0.0000 C 0 0 0 0 0 0 0 0 0 13.4917 -1.0125 0.0000 N 0 0 0 0 0 0 0 0 0 9.6000 -2.9417 0.0000 C 0 0 0 0 0 0 0 0 0 9.9542 -1.5667 0.0000 C 0 0 0 0 0 0 0 0 0 8.3667 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 8.0042 -2.5292 0.0000 C 0 0 0 0 0 0 0 0 0 11.7542 -2.7750 0.0000 O 0 0 0 0 0 0 0 0 0 10.9667 -2.5667 0.0000 C 0 0 0 0 0 0 0 0 0 6.9917 -1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 12.0292 -6.5292 0.0000 C 0 0 0 0 0 0 0 0 0 10.7542 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 10.3875 -3.1542 0.0000 C 0 0 0 0 0 0 0 0 0 7.2167 -2.3250 0.0000 C 0 0 0 0 0 0 0 0 0 7.5750 -0.9417 0.0000 C 0 0 0 0 0 0 0 0 0 6.1792 -1.3250 0.0000 Cl 0 0 0 0 0 0 0 0 0 12.7042 -0.8042 0.0000 O 0 0 0 0 0 0 0 0 0 13.6292 -6.9542 0.0000 C 0 0 0 0 0 0 0 0 0 12.2417 -7.3167 0.0000 C 0 0 0 0 0 0 0 0 0 13.0500 -7.5375 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 1 2 0 0 0 5 7 2 0 0 0 6 8 1 0 0 0 7 4 1 0 0 0 8 13 1 0 0 0 9 2 1 0 0 0 10 3 2 0 0 0 11 17 1 0 0 0 12 11 1 0 0 0 13 9 1 0 0 0 14 6 2 0 0 0 15 8 1 0 0 0 16 6 1 0 0 0 17 26 2 0 0 0 18 25 1 0 0 0 19 12 2 0 0 0 20 12 1 0 0 0 21 15 1 0 0 0 22 21 1 0 0 0 23 27 1 0 0 0 24 5 1 0 0 0 25 22 2 0 0 0 26 22 1 0 0 0 27 20 2 0 0 0 28 19 1 0 0 0 29 23 1 0 0 0 30 16 1 0 0 0 31 7 1 0 0 0 32 33 1 0 0 0 33 31 2 0 0 0 3 5 1 0 0 0 24 32 2 0 0 0 18 11 2 0 0 0 28 23 2 0 0 0 M END > 10.7958800173441 > 7.13076828026902 $$$$ 11280715242D 1 1.00000 0.00000 0 25 26 0 0 0 999 V2000 4.8750 -2.0375 0.0000 S 0 0 3 0 0 0 0 0 0 4.8750 -2.6375 0.0000 N 0 0 3 0 0 0 0 0 0 4.3625 -2.9375 0.0000 C 0 0 3 0 0 0 0 0 0 4.8750 -4.4375 0.0000 S 0 0 3 0 0 0 0 0 0 4.8750 -3.8375 0.0000 N 0 0 3 0 0 0 0 0 0 4.3625 -3.5375 0.0000 C 0 0 0 0 0 0 0 0 0 3.8417 -2.6375 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -2.9375 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -3.5375 0.0000 C 0 0 0 0 0 0 0 0 0 4.3250 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 5.5875 -2.4500 0.0000 O 0 0 0 0 0 0 0 0 0 4.2375 -4.4375 0.0000 O 0 0 0 0 0 0 0 0 0 5.7042 -4.4667 0.0000 O 0 0 0 0 0 0 0 0 0 3.8375 -2.0375 0.0000 O 0 0 0 0 0 0 0 0 0 3.3167 -2.9375 0.0000 N 0 0 0 0 0 0 0 0 0 5.9125 -2.0292 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 4.8667 -5.0292 0.0000 C 0 0 0 0 0 0 0 0 0 6.4292 -1.1292 0.0000 C 0 0 0 0 0 0 0 0 0 6.4292 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 5.9042 -0.8292 0.0000 C 0 0 0 0 0 0 0 0 0 2.8000 -2.6375 0.0000 O 0 0 0 0 0 0 0 0 0 6.9500 -0.8292 0.0000 O 0 0 0 0 0 0 0 0 0 7.4667 -1.1292 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 5 1 0 0 0 5 10 1 0 0 0 6 3 1 0 0 0 7 3 1 0 0 0 8 2 1 0 0 0 9 1 1 0 0 0 10 8 1 0 0 0 11 1 2 0 0 0 12 1 2 0 0 0 13 4 2 0 0 0 14 4 2 0 0 0 15 7 2 0 0 0 16 7 1 0 0 0 17 9 2 0 0 0 18 9 1 0 0 0 19 4 1 0 0 0 20 22 1 0 0 0 21 17 1 0 0 0 22 18 2 0 0 0 23 16 1 0 0 0 24 20 1 0 0 0 25 24 1 0 0 0 20 21 2 0 0 0 5 6 1 0 0 0 M END > 9 > 8.09691001300806 $$$$ 11280715082D 1 1.00000 0.00000 0 30 32 0 0 0 999 V2000 8.2250 -8.6042 0.0000 C 0 0 3 0 0 0 0 0 0 7.5125 -9.0250 0.0000 S 0 0 3 0 0 0 0 0 0 8.9417 -9.0042 0.0000 C 0 0 0 0 0 0 0 0 0 7.5167 -8.2000 0.0000 C 0 0 0 0 0 0 0 0 0 8.9375 -8.2000 0.0000 C 0 0 0 0 0 0 0 0 0 6.7917 -8.6125 0.0000 C 0 0 0 0 0 0 0 0 0 8.0917 -9.6042 0.0000 O 0 0 0 0 0 0 0 0 0 6.9250 -9.6042 0.0000 O 0 0 0 0 0 0 0 0 0 8.2250 -6.9542 0.0000 N 0 0 3 0 0 0 0 0 0 8.9542 -9.8292 0.0000 O 0 0 0 0 0 0 0 0 0 9.6542 -8.5875 0.0000 N 0 0 0 0 0 0 0 0 0 7.5167 -7.3750 0.0000 C 0 0 0 0 0 0 0 0 0 8.9375 -7.3750 0.0000 C 0 0 0 0 0 0 0 0 0 6.0792 -9.0250 0.0000 C 0 0 0 0 0 0 0 0 0 6.7917 -7.7792 0.0000 C 0 0 0 0 0 0 0 0 0 5.3667 -7.7875 0.0000 C 0 0 0 0 0 0 0 0 0 5.3667 -8.6125 0.0000 C 0 0 0 0 0 0 0 0 0 6.0792 -7.3667 0.0000 C 0 0 0 0 0 0 0 0 0 10.3750 -8.9875 0.0000 O 0 0 0 0 0 0 0 0 0 8.2250 -6.1292 0.0000 C 0 0 0 0 0 0 0 0 0 8.9417 -4.9000 0.0000 O 0 0 0 0 0 0 0 0 0 8.2292 -4.4875 0.0000 C 0 0 0 0 0 0 0 0 0 8.9417 -5.7167 0.0000 C 0 0 0 0 0 0 0 0 0 4.6500 -7.3667 0.0000 O 0 0 0 0 0 0 0 0 0 7.5167 -4.9042 0.0000 C 0 0 0 0 0 0 0 0 0 8.2292 -3.6667 0.0000 C 0 0 0 0 0 0 0 0 0 3.9375 -7.7792 0.0000 C 0 0 0 0 0 0 0 0 0 6.8042 -4.4917 0.0000 C 0 0 0 0 0 0 0 0 0 7.5167 -3.2542 0.0000 C 0 0 0 0 0 0 0 0 0 6.8042 -3.6625 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 1 1 0 0 0 5 1 1 0 0 0 6 2 1 0 0 0 7 2 2 0 0 0 8 2 2 0 0 0 9 13 1 0 0 0 10 3 2 0 0 0 11 3 1 0 0 0 12 4 1 0 0 0 13 5 1 0 0 0 14 6 2 0 0 0 15 6 1 0 0 0 16 18 1 0 0 0 17 14 1 0 0 0 18 15 2 0 0 0 19 11 1 0 0 0 20 9 1 0 0 0 21 23 1 0 0 0 22 21 1 0 0 0 23 20 1 0 0 0 24 16 1 0 0 0 25 22 1 0 0 0 26 22 2 0 0 0 27 24 1 0 0 0 28 25 2 0 0 0 29 26 1 0 0 0 30 29 2 0 0 0 12 9 1 0 0 0 17 16 2 0 0 0 30 28 1 0 0 0 M END > 8.52287874528034 > 6.20134935455473 $$$$ 11280715332D 1 1.00000 0.00000 0 23 24 0 1 0 999 V2000 5.6625 -3.8167 0.0000 S 0 0 3 0 0 0 0 0 0 5.9500 -4.6000 0.0000 N 0 0 3 0 0 0 0 0 0 5.4167 -5.2292 0.0000 C 0 0 1 0 0 0 0 0 0 4.5917 -5.1875 0.0000 C 0 0 0 0 0 0 0 0 0 6.4417 -3.5292 0.0000 C 0 0 0 0 0 0 0 0 0 6.7125 -4.9042 0.0000 C 0 0 0 0 0 0 0 0 0 6.6542 -5.7292 0.0000 C 0 0 0 0 0 0 0 0 0 5.3750 -3.0417 0.0000 O 0 0 0 0 0 0 0 0 0 4.8792 -4.1042 0.0000 O 0 0 0 0 0 0 0 0 0 5.8542 -5.9250 0.0000 C 0 0 0 0 0 0 0 0 0 4.2167 -4.4542 0.0000 O 0 0 0 0 0 0 0 0 0 4.1417 -5.8792 0.0000 N 0 0 0 0 0 0 0 0 0 7.2792 -6.2667 0.0000 C 0 0 0 0 0 0 0 0 0 7.0667 -4.0542 0.0000 C 0 0 0 0 0 0 0 0 0 6.5792 -2.7167 0.0000 C 0 0 0 0 0 0 0 0 0 7.9875 -2.9667 0.0000 C 0 0 0 0 0 0 0 0 0 7.3542 -2.4375 0.0000 C 0 0 0 0 0 0 0 0 0 7.8417 -3.7750 0.0000 C 0 0 0 0 0 0 0 0 0 3.3167 -5.8375 0.0000 O 0 0 0 0 0 0 0 0 0 8.7667 -2.6792 0.0000 O 0 0 0 0 0 0 0 0 0 9.4042 -3.2167 0.0000 C 0 0 0 0 0 0 0 0 0 10.1792 -2.9375 0.0000 C 0 0 0 0 0 0 0 0 0 10.8042 -3.4667 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 1 1 0 0 0 6 2 1 0 0 0 7 6 1 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 3 10 1 6 0 0 11 4 2 0 0 0 12 4 1 0 0 0 13 7 2 0 0 0 14 5 2 0 0 0 15 5 1 0 0 0 16 17 1 0 0 0 17 15 2 0 0 0 18 14 1 0 0 0 19 12 1 0 0 0 20 16 1 0 0 0 21 20 1 0 0 0 22 21 1 0 0 0 23 22 1 0 0 0 16 18 2 0 0 0 7 10 1 0 0 0 M END > 9 > 6.80966830182971 $$$$ 11280715242D 1 1.00000 0.00000 0 30 32 0 0 0 999 V2000 4.8750 -1.7292 0.0000 S 0 0 3 0 0 0 0 0 0 4.8750 -2.3292 0.0000 N 0 0 3 0 0 0 0 0 0 4.3625 -2.6292 0.0000 C 0 0 3 0 0 0 0 0 0 4.8750 -3.5292 0.0000 N 0 0 3 0 0 0 0 0 0 4.8750 -4.1292 0.0000 C 0 0 0 0 0 0 0 0 0 4.3625 -3.2292 0.0000 C 0 0 0 0 0 0 0 0 0 3.8417 -2.3292 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -4.4292 0.0000 N 0 0 3 0 0 0 0 0 0 5.3917 -2.6292 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 4.3250 -1.3500 0.0000 O 0 0 0 0 0 0 0 0 0 5.5875 -2.1417 0.0000 O 0 0 0 0 0 0 0 0 0 5.3917 -3.2292 0.0000 C 0 0 0 0 0 0 0 0 0 6.4292 -5.0375 0.0000 N 0 0 3 0 0 0 0 0 0 4.3542 -4.4292 0.0000 O 0 0 0 0 0 0 0 0 0 3.8375 -1.7292 0.0000 O 0 0 0 0 0 0 0 0 0 5.9125 -4.1292 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -5.0292 0.0000 C 0 0 0 0 0 0 0 0 0 3.3167 -2.6292 0.0000 N 0 0 0 0 0 0 0 0 0 5.3917 -0.8292 0.0000 C 0 0 0 0 0 0 0 0 0 5.9125 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 5.9042 -5.3292 0.0000 C 0 0 0 0 0 0 0 0 0 6.4292 -4.4375 0.0000 C 0 0 0 0 0 0 0 0 0 6.4292 -0.8292 0.0000 C 0 0 0 0 0 0 0 0 0 6.4292 -1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 5.9042 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 2.8000 -2.3292 0.0000 O 0 0 0 0 0 0 0 0 0 6.9500 -0.5292 0.0000 O 0 0 0 0 0 0 0 0 0 6.9417 -5.3375 0.0000 C 0 0 0 0 0 0 0 0 0 7.4667 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 13 1 0 0 0 5 4 1 0 0 0 6 3 1 0 0 0 7 3 1 0 0 0 8 5 1 0 0 0 9 2 1 0 0 0 10 1 1 0 0 0 11 1 2 0 0 0 12 1 2 0 0 0 13 9 1 0 0 0 14 22 1 0 0 0 15 5 2 0 0 0 16 7 2 0 0 0 17 8 1 0 0 0 18 8 1 0 0 0 19 7 1 0 0 0 20 10 1 0 0 0 21 10 2 0 0 0 22 18 1 0 0 0 23 17 1 0 0 0 24 25 2 0 0 0 25 21 1 0 0 0 26 20 2 0 0 0 27 19 1 0 0 0 28 24 1 0 0 0 29 14 1 0 0 0 30 28 1 0 0 0 24 26 1 0 0 0 4 6 1 0 0 0 14 23 1 0 0 0 M END > 8.38721614328026 > 6.45099673797421 $$$$ 11280714452D 1 1.00000 0.00000 0 37 40 0 0 0 999 V2000 7.3792 -0.9792 0.0000 S 0 0 3 0 0 0 0 0 0 7.3792 -1.8042 0.0000 N 0 0 0 0 0 0 0 0 0 6.6625 -2.2167 0.0000 C 0 0 3 0 0 0 0 0 0 9.5042 -6.3375 0.0000 N 0 0 3 0 0 0 0 0 0 5.9500 -1.8042 0.0000 C 0 0 0 0 0 0 0 0 0 7.3792 -3.4542 0.0000 C 0 0 0 0 0 0 0 0 0 8.0917 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 8.0875 -3.8667 0.0000 C 0 0 0 0 0 0 0 0 0 9.5042 -5.5125 0.0000 C 0 0 0 0 0 0 0 0 0 6.5750 -1.1917 0.0000 O 0 0 0 0 0 0 0 0 0 7.1625 -0.1792 0.0000 O 0 0 0 0 0 0 0 0 0 9.5167 0.2583 0.0000 C 0 0 0 0 0 0 0 0 0 10.2375 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 8.8000 -5.1000 0.0000 C 0 0 0 0 0 0 0 0 0 5.9500 -0.9792 0.0000 O 0 0 0 0 0 0 0 0 0 8.8042 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 8.0917 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 8.8042 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 9.5167 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 8.8000 -4.2792 0.0000 C 0 0 0 0 0 0 0 0 0 9.5042 -7.9792 0.0000 O 0 0 0 0 0 0 0 0 0 10.9500 0.2583 0.0000 C 0 0 0 0 0 0 0 0 0 10.2292 1.4875 0.0000 C 0 0 0 0 0 0 0 0 0 6.6625 -3.0417 0.0000 C 0 0 0 0 0 0 0 0 0 5.2375 -2.2167 0.0000 O 0 0 0 0 0 0 0 0 0 11.6625 1.4958 0.0000 C 0 0 0 0 0 0 0 0 0 10.9417 1.9083 0.0000 C 0 0 0 0 0 0 0 0 0 11.6625 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 8.7917 -6.7417 0.0000 C 0 0 0 0 0 0 0 0 0 10.2250 -6.7417 0.0000 C 0 0 0 0 0 0 0 0 0 12.3750 1.9083 0.0000 O 0 0 0 0 0 0 0 0 0 10.2250 -5.1042 0.0000 C 0 0 0 0 0 0 0 0 0 10.2167 -4.2750 0.0000 C 0 0 0 0 0 0 0 0 0 10.2167 -7.5750 0.0000 C 0 0 0 0 0 0 0 0 0 8.7917 -7.5667 0.0000 C 0 0 0 0 0 0 0 0 0 9.5125 -3.8667 0.0000 C 0 0 0 0 0 0 0 0 0 13.0917 1.4958 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 9 1 0 0 0 5 3 1 0 0 0 6 24 1 0 0 0 7 1 1 0 0 0 8 6 3 0 0 0 9 14 1 0 0 0 10 1 2 0 0 0 11 1 2 0 0 0 12 18 1 0 0 0 13 12 1 0 0 0 14 20 2 0 0 0 15 5 2 0 0 0 16 7 2 0 0 0 17 7 1 0 0 0 18 17 2 0 0 0 19 16 1 0 0 0 20 8 1 0 0 0 21 34 1 0 0 0 22 13 2 0 0 0 23 13 1 0 0 0 24 3 1 0 0 0 25 5 1 0 0 0 26 27 1 0 0 0 27 23 2 0 0 0 28 22 1 0 0 0 29 4 1 0 0 0 30 4 1 0 0 0 31 26 1 0 0 0 32 33 1 0 0 0 33 36 2 0 0 0 34 30 1 0 0 0 35 29 1 0 0 0 36 20 1 0 0 0 37 31 1 0 0 0 19 12 2 0 0 0 28 26 2 0 0 0 9 32 2 0 0 0 35 21 1 0 0 0 M END > 7.62 > 5.43651891460559 $$$$ 11280714582D 1 1.00000 0.00000 0 23 25 0 0 0 999 V2000 4.1125 -1.2917 0.0000 S 0 0 3 0 0 0 0 0 0 3.7125 -2.0125 0.0000 C 0 0 3 0 0 0 0 0 0 4.9375 -1.2750 0.0000 C 0 0 0 0 0 0 0 0 0 3.6375 -0.4375 0.0000 O 0 0 0 0 0 0 0 0 0 4.6375 -0.4375 0.0000 O 0 0 0 0 0 0 0 0 0 3.1250 -1.4250 0.0000 C 0 0 0 0 0 0 0 0 0 5.3292 -0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 5.3625 -1.9792 0.0000 C 0 0 0 0 0 0 0 0 0 7.4125 -1.2292 0.0000 O 0 0 0 0 0 0 0 0 0 6.5875 -1.2417 0.0000 C 0 0 0 0 0 0 0 0 0 2.5292 -1.8542 0.0000 C 0 0 3 0 0 0 0 0 0 2.3125 -2.6500 0.0000 S 0 0 0 0 0 0 0 0 0 6.1875 -1.9667 0.0000 C 0 0 0 0 0 0 0 0 0 6.1542 -0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 7.8375 -1.9292 0.0000 C 0 0 0 0 0 0 0 0 0 4.3417 -2.0750 0.0000 C 0 0 0 0 0 0 0 0 0 3.7500 -2.5042 0.0000 C 0 0 0 0 0 0 0 0 0 3.1250 -1.9042 0.0000 C 0 0 0 0 0 0 0 0 0 7.4417 -2.6542 0.0000 C 0 0 0 0 0 0 0 0 0 8.6625 -1.9125 0.0000 C 0 0 0 0 0 0 0 0 0 9.0917 -2.6167 0.0000 C 0 0 0 0 0 0 0 0 0 7.8667 -3.3542 0.0000 C 0 0 0 0 0 0 0 0 0 8.6917 -3.3417 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 1 2 0 0 0 5 1 2 0 0 0 6 2 1 0 0 0 7 3 1 0 0 0 8 3 2 0 0 0 9 10 1 0 0 0 10 13 2 0 0 0 11 6 1 0 0 0 12 11 1 0 0 0 13 8 1 0 0 0 14 7 2 0 0 0 15 9 1 0 0 0 16 2 1 0 0 0 17 16 1 0 0 0 18 17 1 0 0 0 19 15 2 0 0 0 20 15 1 0 0 0 21 20 2 0 0 0 22 19 1 0 0 0 23 21 1 0 0 0 14 10 1 0 0 0 18 11 1 0 0 0 23 22 2 0 0 0 M END > 9 > 5.76955107862173 $$$$ 11280715442D 1 1.00000 0.00000 0 28 30 0 1 0 999 V2000 -0.6958 0.9333 0.0000 S 0 0 3 0 0 0 0 0 0 -0.6833 1.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0.0375 2.1583 0.0000 C 0 0 2 0 0 0 0 0 0 0.7417 1.7375 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6958 0.1083 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5208 0.9333 0.0000 O 0 0 0 0 0 0 0 0 0 0.1375 0.9333 0.0000 O 0 0 0 0 0 0 0 0 0 0.0292 -2.7792 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6958 -2.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0.7375 0.9208 0.0000 O 0 0 0 0 0 0 0 0 0 1.4542 2.1458 0.0000 N 0 0 0 0 0 0 0 0 0 0.6167 2.7458 0.0000 O 0 0 0 0 0 0 0 0 0 -1.3958 2.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0.0417 2.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0.7375 -2.3667 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6625 3.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0.0292 -0.3042 0.0000 C 0 0 0 0 0 0 0 0 0 -1.4000 -0.3042 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6958 -1.5417 0.0000 C 0 0 0 0 0 0 0 0 0 -1.4000 -1.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0.0167 -1.1417 0.0000 C 0 0 0 0 0 0 0 0 0 2.1750 1.7250 0.0000 O 0 0 0 0 0 0 0 0 0 -1.3958 2.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0.0167 -3.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0.7375 -1.5417 0.0000 C 0 0 0 0 0 0 0 0 0 1.4417 -2.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0.7375 -4.0167 0.0000 C 0 0 0 0 0 0 0 0 0 1.4542 -3.6042 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 6 0 0 3 2 1 0 0 0 3 4 1 6 0 0 5 1 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 9 1 0 0 0 9 19 1 0 0 0 10 4 2 0 0 0 11 4 1 0 0 0 3 12 1 1 0 0 13 2 1 0 0 0 14 3 1 0 0 0 15 8 1 0 0 0 16 23 1 0 0 0 17 5 2 0 0 0 18 5 1 0 0 0 19 20 1 0 0 0 20 18 2 0 0 0 21 17 1 0 0 0 22 11 1 0 0 0 23 13 1 0 0 0 24 8 2 0 0 0 25 15 1 0 0 0 26 15 2 0 0 0 27 24 1 0 0 0 28 27 2 0 0 0 21 19 2 0 0 0 14 16 1 0 0 0 26 28 1 0 0 0 M END > 8.0087739243075 > 5.32790214206428 $$$$ 05080814032D 1 1.00000 0.00000 0 30 33 0 1 0 999 V2000 -0.2181 -9.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0.1964 -9.7763 0.0000 C 0 0 0 0 0 0 0 0 0 1.0207 -9.7763 0.0000 C 0 0 0 0 0 0 0 0 0 1.4333 -9.0643 0.0000 C 0 0 0 0 0 0 0 0 0 1.0186 -8.3446 0.0000 C 0 0 0 0 0 0 0 0 0 0.1937 -8.3446 0.0000 C 0 0 0 0 0 0 0 0 0 2.2613 -9.0643 0.0000 O 0 0 0 0 0 0 0 0 0 2.6751 -8.3462 0.0000 C 0 0 0 0 0 0 0 0 0 3.4947 -8.3462 0.0000 C 0 0 0 0 0 0 0 0 0 3.9063 -9.0605 0.0000 C 0 0 0 0 0 0 0 0 0 4.7316 -9.0605 0.0000 C 0 0 0 0 0 0 0 0 0 5.1450 -8.3399 0.0000 N 0 0 0 0 0 0 0 0 0 3.9071 -7.6378 0.0000 C 0 0 0 0 0 0 0 0 0 4.7304 -7.6174 0.0000 C 0 0 0 0 0 0 0 0 0 5.1359 -6.9167 0.0000 C 0 0 0 0 0 0 0 0 0 4.7156 -6.1956 0.0000 C 0 0 0 0 0 0 0 0 0 3.8774 -6.1956 0.0000 C 0 0 0 0 0 0 0 0 0 3.4598 -6.9193 0.0000 C 0 0 0 0 0 0 0 0 0 5.1416 -9.7722 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0431 -9.0626 0.0000 N 0 0 0 0 0 0 0 0 0 -1.4569 -8.3489 0.0000 C 0 0 0 0 0 0 0 0 0 -2.2819 -8.3505 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0457 -7.6337 0.0000 O 0 0 0 0 0 0 0 0 0 -2.6957 -7.6368 0.0000 C 0 0 1 0 0 0 0 0 0 -2.3632 -6.8769 0.0000 N 0 0 0 0 0 0 0 0 0 -2.9773 -6.3260 0.0000 C 0 0 0 0 0 0 0 0 0 -3.6911 -6.7399 0.0000 N 0 0 0 0 0 0 0 0 0 -3.5179 -7.5465 0.0000 C 0 0 0 0 0 0 0 0 0 -4.0708 -8.1588 0.0000 O 0 0 0 0 0 0 0 0 0 -2.8926 -5.5054 0.0000 O 0 0 0 0 0 0 0 0 0 10 11 1 0 0 0 11 12 2 0 0 0 12 14 1 0 0 0 13 9 1 0 0 0 13 14 1 0 0 0 14 15 2 0 0 0 15 16 1 0 0 0 16 17 2 0 0 0 17 18 1 0 0 0 18 13 2 0 0 0 11 19 1 0 0 0 1 20 1 0 0 0 1 2 2 0 0 0 20 21 1 0 0 0 2 3 1 0 0 0 21 22 1 0 0 0 3 4 2 0 0 0 21 23 2 0 0 0 4 5 1 0 0 0 24 22 1 6 0 0 24 25 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 4 7 1 0 0 0 7 8 1 0 0 0 25 26 1 0 0 0 26 27 1 0 0 0 27 28 1 0 0 0 28 24 1 0 0 0 8 9 1 0 0 0 28 29 2 0 0 0 9 10 2 0 0 0 26 30 2 0 0 0 M END > 5.38510278396687 > 5.60695153358322 $$$$ 11280715462D 1 1.00000 0.00000 0 31 33 0 1 0 999 V2000 3.5792 -0.7917 0.0000 S 0 0 3 0 0 0 0 0 0 3.5792 -1.6167 0.0000 N 0 0 3 0 0 0 0 0 0 2.8667 -2.0292 0.0000 C 0 0 2 0 0 0 0 0 0 2.8625 -2.8542 0.0000 C 0 0 3 0 0 0 0 0 0 2.1500 -1.6167 0.0000 C 0 0 0 0 0 0 0 0 0 4.3042 -2.0292 0.0000 C 0 0 0 0 0 0 0 0 0 3.5875 0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 4.4042 -0.7875 0.0000 O 0 0 0 0 0 0 0 0 0 2.7542 -0.7875 0.0000 O 0 0 0 0 0 0 0 0 0 3.5792 -3.2750 0.0000 C 0 0 0 0 0 0 0 0 0 2.1542 -0.7917 0.0000 O 0 0 0 0 0 0 0 0 0 4.3000 -2.8625 0.0000 C 0 0 1 0 0 0 0 0 0 1.4375 -2.0292 0.0000 N 0 0 0 0 0 0 0 0 0 2.8792 0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 4.3042 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 3.6042 2.5208 0.0000 O 0 0 0 0 0 0 0 0 0 3.6042 1.6875 0.0000 C 0 0 0 0 0 0 0 0 0 5.0375 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 2.8542 -3.6792 0.0000 C 0 0 0 0 0 0 0 0 0 2.0375 -2.8542 0.0000 C 0 0 0 0 0 0 0 0 0 4.3292 2.9208 0.0000 C 0 0 0 0 0 0 0 0 0 2.8792 1.2833 0.0000 C 0 0 0 0 0 0 0 0 0 4.3125 1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 6.4542 1.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0.7167 -1.6167 0.0000 O 0 0 0 0 0 0 0 0 0 5.0125 -3.2792 0.0000 O 0 0 0 0 0 0 0 0 0 5.0292 1.6750 0.0000 C 0 0 0 0 0 0 0 0 0 5.7542 2.9083 0.0000 C 0 0 0 0 0 0 0 0 0 6.4625 2.4958 0.0000 C 0 0 0 0 0 0 0 0 0 5.7375 1.2583 0.0000 C 0 0 0 0 0 0 0 0 0 7.1667 1.2458 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 3 5 1 6 0 0 6 2 1 0 0 0 7 1 1 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 12 1 0 0 0 11 5 2 0 0 0 12 6 1 0 0 0 13 5 1 0 0 0 14 7 2 0 0 0 15 7 1 0 0 0 16 17 1 0 0 0 17 23 1 0 0 0 18 21 1 0 0 0 19 4 1 0 0 0 20 4 1 0 0 0 21 16 1 0 0 0 22 14 1 0 0 0 23 15 2 0 0 0 24 29 1 0 0 0 25 13 1 0 0 0 12 26 1 6 0 0 27 18 2 0 0 0 28 18 1 0 0 0 29 28 2 0 0 0 30 27 1 0 0 0 31 24 1 0 0 0 22 17 2 0 0 0 10 4 1 0 0 0 24 30 2 0 0 0 M END > 8.92081875395237 > 6.70333480973847 $$$$ 11280715212D 1 1.00000 0.00000 0 28 30 0 1 0 999 V2000 -2.4333 -0.4750 0.0000 C 0 0 2 0 0 0 0 0 0 -2.9583 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3875 -0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 -1.9083 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8625 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4333 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0.1792 0.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0.7042 0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 -3.4750 -0.4750 0.0000 O 0 0 0 0 0 0 0 0 0 -2.9583 -1.3792 0.0000 S 0 0 0 0 0 0 0 0 0 -1.3875 -1.0792 0.0000 O 0 0 0 0 0 0 0 0 0 -0.8708 0.4250 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3458 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0.1792 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3458 0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 1.2250 0.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0.6917 1.3333 0.0000 C 0 0 0 0 0 0 0 0 0 -2.9583 0.4333 0.0000 O 0 0 0 0 0 0 0 0 0 1.7417 1.3333 0.0000 C 0 0 0 0 0 0 0 0 0 -2.9583 -1.9792 0.0000 C 0 0 0 0 0 0 0 0 0 1.2167 1.6333 0.0000 C 0 0 0 0 0 0 0 0 0 1.7417 0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 2.2667 1.6333 0.0000 Cl 0 0 0 0 0 0 0 0 0 -2.4333 -2.2792 0.0000 C 0 0 0 0 0 0 0 0 0 -3.4750 -2.2792 0.0000 C 0 0 0 0 0 0 0 0 0 -3.4750 -2.8792 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4333 -2.8792 0.0000 C 0 0 0 0 0 0 0 0 0 -2.9583 -3.1875 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 4 1 0 0 0 4 1 1 0 0 0 5 3 1 0 0 0 1 6 1 6 0 0 7 14 2 0 0 0 8 7 1 0 0 0 9 2 2 0 0 0 10 6 1 0 0 0 11 3 2 0 0 0 12 5 1 0 0 0 13 5 2 0 0 0 14 13 1 0 0 0 15 12 2 0 0 0 16 8 2 0 0 0 17 8 1 0 0 0 18 2 1 0 0 0 19 21 1 0 0 0 20 10 1 0 0 0 21 17 2 0 0 0 22 16 1 0 0 0 23 19 1 0 0 0 24 20 1 0 0 0 25 20 2 0 0 0 26 25 1 0 0 0 27 24 2 0 0 0 28 26 2 0 0 0 7 15 1 0 0 0 28 27 1 0 0 0 19 22 2 0 0 0 M END > 5.83268266525182 > 5.30102999566398 $$$$ 11280715082D 1 1.00000 0.00000 0 34 36 0 0 0 999 V2000 7.7292 -9.9500 0.0000 C 0 0 3 0 0 0 0 0 0 7.0167 -10.3667 0.0000 S 0 0 3 0 0 0 0 0 0 8.4500 -10.3500 0.0000 C 0 0 0 0 0 0 0 0 0 7.0167 -9.5417 0.0000 C 0 0 0 0 0 0 0 0 0 8.4417 -9.5417 0.0000 C 0 0 0 0 0 0 0 0 0 6.3000 -9.9542 0.0000 C 0 0 0 0 0 0 0 0 0 7.6000 -10.9500 0.0000 O 0 0 0 0 0 0 0 0 0 6.4292 -10.9500 0.0000 O 0 0 0 0 0 0 0 0 0 7.7292 -8.3000 0.0000 N 0 0 3 0 0 0 0 0 0 8.4625 -11.1750 0.0000 O 0 0 0 0 0 0 0 0 0 9.1542 -9.9292 0.0000 N 0 0 0 0 0 0 0 0 0 7.0167 -8.7167 0.0000 C 0 0 0 0 0 0 0 0 0 8.4417 -8.7167 0.0000 C 0 0 0 0 0 0 0 0 0 5.5792 -10.3667 0.0000 C 0 0 0 0 0 0 0 0 0 6.3000 -9.1250 0.0000 C 0 0 0 0 0 0 0 0 0 4.8667 -9.1250 0.0000 C 0 0 0 0 0 0 0 0 0 4.8667 -9.9542 0.0000 C 0 0 0 0 0 0 0 0 0 5.5792 -8.7125 0.0000 C 0 0 0 0 0 0 0 0 0 9.8792 -10.3292 0.0000 O 0 0 0 0 0 0 0 0 0 7.7292 -7.4750 0.0000 C 0 0 0 0 0 0 0 0 0 9.1625 -5.0042 0.0000 C 0 0 0 0 0 0 0 0 0 8.4417 -7.0625 0.0000 C 0 0 0 0 0 0 0 0 0 4.1542 -8.7125 0.0000 O 0 0 0 0 0 0 0 0 0 9.1625 -5.8292 0.0000 O 0 0 0 0 0 0 0 0 0 8.4417 -6.2417 0.0000 C 0 0 0 0 0 0 0 0 0 3.4417 -9.1250 0.0000 C 0 0 0 0 0 0 0 0 0 9.8750 -4.5875 0.0000 C 0 0 0 0 0 0 0 0 0 8.4500 -4.5917 0.0000 C 0 0 0 0 0 0 0 0 0 2.7250 -8.7125 0.0000 C 0 0 0 0 0 0 0 0 0 2.0042 -9.1250 0.0000 C 0 0 0 0 0 0 0 0 0 1.2917 -8.7125 0.0000 C 0 0 0 0 0 0 0 0 0 9.8792 -3.7667 0.0000 C 0 0 0 0 0 0 0 0 0 8.4500 -3.7625 0.0000 C 0 0 0 0 0 0 0 0 0 9.1667 -3.3542 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 1 1 0 0 0 5 1 1 0 0 0 6 2 1 0 0 0 7 2 2 0 0 0 8 2 2 0 0 0 9 13 1 0 0 0 10 3 2 0 0 0 11 3 1 0 0 0 12 4 1 0 0 0 13 5 1 0 0 0 14 6 2 0 0 0 15 6 1 0 0 0 16 18 1 0 0 0 17 14 1 0 0 0 18 15 2 0 0 0 19 11 1 0 0 0 20 9 1 0 0 0 21 24 1 0 0 0 22 20 1 0 0 0 23 16 1 0 0 0 24 25 1 0 0 0 25 22 1 0 0 0 26 23 1 0 0 0 27 21 1 0 0 0 28 21 2 0 0 0 29 26 1 0 0 0 30 29 1 0 0 0 31 30 1 0 0 0 32 27 2 0 0 0 33 28 1 0 0 0 34 33 2 0 0 0 12 9 1 0 0 0 16 17 2 0 0 0 32 34 1 0 0 0 M END > 9 > 5.42136079003193 $$$$ 11280715232D 1 1.00000 0.00000 0 21 21 0 0 0 999 V2000 5.1000 -2.9667 0.0000 S 0 0 3 0 0 0 0 0 0 4.4042 -2.5625 0.0000 N 0 0 0 0 0 0 0 0 0 3.7000 -2.9667 0.0000 C 0 0 3 0 0 0 0 0 0 2.9917 -2.5625 0.0000 C 0 0 0 0 0 0 0 0 0 5.8167 -3.3542 0.0000 C 0 0 0 0 0 0 0 0 0 4.3667 -3.6750 0.0000 O 0 0 0 0 0 0 0 0 0 5.8000 -2.2417 0.0000 O 0 0 0 0 0 0 0 0 0 3.7000 -3.7625 0.0000 C 0 0 0 0 0 0 0 0 0 2.3042 -2.9667 0.0000 O 0 0 0 0 0 0 0 0 0 2.9917 -1.7542 0.0000 N 0 0 0 0 0 0 0 0 0 5.8167 -4.1625 0.0000 C 0 0 0 0 0 0 0 0 0 6.4917 -2.9292 0.0000 C 0 0 0 0 0 0 0 0 0 7.2292 -4.1292 0.0000 C 0 0 0 0 0 0 0 0 0 7.2042 -3.3042 0.0000 C 0 0 0 0 0 0 0 0 0 6.5417 -4.5500 0.0000 C 0 0 0 0 0 0 0 0 0 2.3042 -1.3500 0.0000 O 0 0 0 0 0 0 0 0 0 7.9375 -4.5167 0.0000 O 0 0 0 0 0 0 0 0 0 2.9917 -4.1792 0.0000 C 0 0 3 0 0 0 0 0 0 7.9625 -5.3250 0.0000 C 0 0 0 0 0 0 0 0 0 2.3042 -3.7625 0.0000 C 0 0 0 0 0 0 0 0 0 2.9917 -4.9875 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 1 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 3 1 0 0 0 9 4 2 0 0 0 10 4 1 0 0 0 11 5 2 0 0 0 12 5 1 0 0 0 13 14 1 0 0 0 14 12 2 0 0 0 15 11 1 0 0 0 16 10 1 0 0 0 17 13 1 0 0 0 18 8 1 0 0 0 19 17 1 0 0 0 20 18 1 0 0 0 21 18 1 0 0 0 15 13 2 0 0 0 M END > 7.02227639471115 > 7.02227639471115 $$$$ 11280715082D 1 1.00000 0.00000 0 30 32 0 0 0 999 V2000 4.0250 -2.2500 0.0000 S 0 0 3 0 0 0 0 0 0 3.2375 -2.2542 0.0000 N 0 0 3 0 0 0 0 0 0 2.9375 -2.7750 0.0000 C 0 0 0 0 0 0 0 0 0 2.3375 -2.7750 0.0000 C 0 0 0 0 0 0 0 0 0 2.0292 -2.2542 0.0000 C 0 0 0 0 0 0 0 0 0 4.6250 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 3.9917 -1.5917 0.0000 O 0 0 0 0 0 0 0 0 0 4.0250 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 2.0417 -3.2917 0.0000 C 0 0 0 0 0 0 0 0 0 2.9292 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 3.2375 -3.2917 0.0000 C 0 0 0 0 0 0 0 0 0 2.3667 -1.5917 0.0000 O 0 0 0 0 0 0 0 0 0 1.4292 -2.2542 0.0000 N 0 0 0 0 0 0 0 0 0 4.9167 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 4.9167 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 2.3375 -3.8042 0.0000 C 0 0 0 0 0 0 0 0 0 2.9375 -3.8042 0.0000 C 0 0 0 0 0 0 0 0 0 5.8167 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 3.2292 -1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 5.5167 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 5.5167 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 1.0875 -1.5625 0.0000 O 0 0 0 0 0 0 0 0 0 6.4167 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 3.2375 -4.3292 0.0000 C 0 0 0 0 0 0 0 0 0 3.8292 -1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 2.9292 -0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 6.7167 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 4.1292 -0.6917 0.0000 C 0 0 0 0 0 0 0 0 0 3.2292 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 3.8292 -0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 6 1 1 0 0 0 7 1 2 0 0 0 8 1 2 0 0 0 9 4 2 0 0 0 10 2 1 0 0 0 11 3 2 0 0 0 12 5 2 0 0 0 13 5 1 0 0 0 14 6 2 0 0 0 15 6 1 0 0 0 16 17 2 0 0 0 17 11 1 0 0 0 18 20 1 0 0 0 19 10 1 0 0 0 20 15 2 0 0 0 21 14 1 0 0 0 22 13 1 0 0 0 23 18 1 0 0 0 24 17 1 0 0 0 25 19 2 0 0 0 26 19 1 0 0 0 27 23 1 0 0 0 28 25 1 0 0 0 29 26 2 0 0 0 30 29 1 0 0 0 18 21 2 0 0 0 16 9 1 0 0 0 30 28 2 0 0 0 M END > 6.00788851221305 > 6.05354773498693 $$$$ SciTegic01161211212D 34 37 0 0 0 0 999 V2000 1.1593 -10.8924 0.0000 C 0 0 0.4421 -11.3011 0.0000 C 0 0 0.4374 -12.1220 0.0000 C 0 0 1.1483 -12.5405 0.0000 N 0 0 1.8719 -11.3047 0.0000 C 0 0 0.4444 -10.4824 0.0000 S 0 0 1.8746 -10.4783 0.0000 C 0 0 1.8765 -12.1297 0.0000 C 0 0 -0.2694 -10.8974 0.0000 C 0 0 -0.9837 -10.4827 0.0000 C 0 0 -1.6971 -10.8970 0.0000 C 0 0 -1.6951 -11.7236 0.0000 C 0 0 -0.9738 -12.1341 0.0000 C 0 0 -0.2634 -11.7175 0.0000 C 0 0 0.0250 -9.7623 0.0000 O 0 0 0.8507 -9.7623 0.0000 O 0 0 -2.4084 -12.1395 0.0000 O 0 0 -3.1252 -11.7297 0.0000 C 0 0 -3.1236 -10.9062 0.0000 C 0 0 -3.8396 -10.4964 0.0000 C 0 0 -4.5539 -10.9124 0.0000 C 0 0 -4.5477 -11.7424 0.0000 C 0 0 -3.8311 -12.1483 0.0000 C 0 0 -5.2712 -10.5035 0.0000 Cl 0 0 2.5901 -10.8903 0.0000 N 0 0 1.8736 -9.6526 0.0000 O 0 0 3.3047 -10.4766 0.0000 O 0 0 1.1405 -13.3661 0.0000 C 0 0 1.8518 -13.7856 0.0000 C 0 0 1.8411 -14.6091 0.0000 C 0 0 2.5515 -15.0283 0.0000 C 0 0 3.2714 -14.6221 0.0000 C 0 0 3.2764 -13.7922 0.0000 C 0 0 2.5653 -13.3765 0.0000 C 0 0 1 5 1 0 12 17 1 0 2 3 1 0 17 18 1 0 6 9 1 0 18 19 2 0 3 4 1 0 19 20 1 0 9 10 2 0 20 21 2 0 4 8 1 0 21 22 1 0 10 11 1 0 22 23 2 0 23 18 1 0 8 5 1 0 21 24 1 0 11 12 2 0 7 25 1 0 1 2 1 0 7 26 2 0 12 13 1 0 25 27 1 0 6 1 1 0 4 28 1 0 13 14 2 0 28 29 1 0 14 9 1 0 29 30 2 0 30 31 1 0 6 15 2 0 31 32 2 0 1 7 1 0 32 33 1 0 6 16 2 0 33 34 2 0 34 29 1 0 M END > 9 > 6.09636748391576 $$$$ 11280715532D 1 1.00000 0.00000 0 31 32 0 0 0 999 V2000 -4.4422 -17.1915 0.0000 C 0 0 0 0 0 0 0 0 0 -4.4422 -18.0204 0.0000 C 0 0 0 0 0 0 0 0 0 -3.7282 -18.4325 0.0000 N 0 0 3 0 0 0 0 0 0 -3.0098 -18.0204 0.0000 C 0 0 0 0 0 0 0 0 0 -3.0098 -17.1915 0.0000 C 0 0 0 0 0 0 0 0 0 -3.7282 -16.7748 0.0000 C 0 0 3 0 0 0 0 0 0 -4.4467 -16.3626 0.0000 C 0 0 0 0 0 0 0 0 0 -3.0183 -16.3558 0.0000 C 0 0 0 0 0 0 0 0 0 -3.0262 -15.5315 0.0000 S 0 0 3 0 0 0 0 0 0 -3.0316 -14.7049 0.0000 C 0 0 0 0 0 0 0 0 0 -3.8505 -15.5382 0.0000 O 0 0 0 0 0 0 0 0 0 -2.2019 -15.5273 0.0000 O 0 0 0 0 0 0 0 0 0 -4.4490 -15.5383 0.0000 O 0 0 0 0 0 0 0 0 0 -5.1594 -16.7768 0.0000 N 0 0 0 0 0 0 0 0 0 -5.8745 -16.3666 0.0000 O 0 0 0 0 0 0 0 0 0 -2.3161 -14.2886 0.0000 C 0 0 0 0 0 0 0 0 0 -2.3210 -13.4627 0.0000 C 0 0 0 0 0 0 0 0 0 -3.0403 -13.0533 0.0000 C 0 0 0 0 0 0 0 0 0 -3.7559 -13.4758 0.0000 C 0 0 0 0 0 0 0 0 0 -3.7473 -14.3003 0.0000 C 0 0 0 0 0 0 0 0 0 -3.0468 -12.2290 0.0000 O 0 0 0 0 0 0 0 0 0 -2.3361 -11.8112 0.0000 C 0 0 0 0 0 0 0 0 0 -2.3426 -10.9869 0.0000 C 0 0 0 0 0 0 0 0 0 -2.3493 -10.1619 0.0000 C 0 0 0 0 0 0 0 0 0 -2.3560 -9.3377 0.0000 C 0 0 0 0 0 0 0 0 0 -3.7294 -19.2568 0.0000 C 0 0 0 0 0 0 0 0 0 -4.4438 -19.6680 0.0000 C 0 0 0 0 0 0 0 0 0 -3.0161 -19.6700 0.0000 O 0 0 0 0 0 0 0 0 0 -4.4450 -20.4923 0.0000 C 0 0 0 0 0 0 0 0 0 -5.1594 -20.9035 0.0000 O 0 0 0 0 0 0 0 0 0 -5.1605 -21.7278 0.0000 C 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 10 16 2 0 0 0 6 8 1 0 0 0 16 17 1 0 0 0 1 6 1 0 0 0 17 18 2 0 0 0 8 9 1 0 0 0 18 19 1 0 0 0 2 3 1 0 0 0 19 20 2 0 0 0 20 10 1 0 0 0 9 10 1 0 0 0 18 21 1 0 0 0 3 4 1 0 0 0 21 22 1 0 0 0 9 11 2 0 0 0 22 23 1 0 0 0 4 5 1 0 0 0 23 24 3 0 0 0 9 12 2 0 0 0 24 25 1 0 0 0 5 6 1 0 0 0 3 26 1 0 0 0 7 13 2 0 0 0 26 27 1 0 0 0 26 28 2 0 0 0 7 14 1 0 0 0 27 29 1 0 0 0 6 7 1 0 0 0 29 30 1 0 0 0 14 15 1 0 0 0 30 31 1 0 0 0 M END > 7.88605664769316 > 5.32790214206428 $$$$ 11280715212D 1 1.00000 0.00000 0 22 23 0 0 0 999 V2000 1.3042 1.1708 0.0000 S 0 0 3 0 0 0 0 0 0 -0.1250 1.1833 0.0000 C 0 0 3 0 0 0 0 0 0 0.5792 1.5958 0.0000 N 0 0 0 0 0 0 0 0 0 -0.8458 1.5958 0.0000 C 0 0 0 0 0 0 0 0 0 2.0250 0.7458 0.0000 C 0 0 0 0 0 0 0 0 0 1.7292 1.8958 0.0000 O 0 0 0 0 0 0 0 0 0 0.8792 0.4500 0.0000 O 0 0 0 0 0 0 0 0 0 -0.8458 2.4250 0.0000 O 0 0 0 0 0 0 0 0 0 -1.5583 1.1833 0.0000 N 0 0 0 0 0 0 0 0 0 2.7375 1.1583 0.0000 C 0 0 0 0 0 0 0 0 0 2.0250 -0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0.5875 0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8333 0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 3.4542 -0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 2.7375 -0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 3.4542 0.7458 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5583 0.3583 0.0000 O 0 0 0 0 0 0 0 0 0 4.1750 -0.5042 0.0000 O 0 0 0 0 0 0 0 0 0 4.1667 -1.3292 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8333 -0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0.5875 -0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1250 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 3 1 1 0 0 0 4 2 1 0 0 0 5 1 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 4 2 0 0 0 9 4 1 0 0 0 10 5 1 0 0 0 11 5 2 0 0 0 12 2 1 0 0 0 13 2 1 0 0 0 14 15 2 0 0 0 15 11 1 0 0 0 16 10 2 0 0 0 17 9 1 0 0 0 18 14 1 0 0 0 19 18 1 0 0 0 20 13 1 0 0 0 21 12 1 0 0 0 22 20 1 0 0 0 14 16 1 0 0 0 21 22 1 0 0 0 M END > 7.30980391997149 > 6.25963731050576 $$$$ 11280714532D 1 1.00000 0.00000 0 27 29 0 0 0 999 V2000 1.3792 0.7083 0.0000 S 0 0 3 0 0 0 0 0 0 1.3875 -0.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0.6750 -0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0.6667 0.2875 0.0000 N 0 0 3 0 0 0 0 0 0 1.3917 -1.7750 0.0000 C 0 0 0 0 0 0 0 0 0 2.6625 -1.3542 0.0000 N 0 0 0 0 0 0 0 0 0 2.1792 -2.0250 0.0000 N 0 0 3 0 0 0 0 0 0 2.1667 -0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0375 -0.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0.6750 -2.1917 0.0000 N 0 0 0 0 0 0 0 0 0 -0.7500 -0.5417 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0375 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 2.0917 1.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0.9625 1.4250 0.0000 O 0 0 0 0 0 0 0 0 0 1.7875 -0.0042 0.0000 O 0 0 0 0 0 0 0 0 0 -0.7500 0.2833 0.0000 O 0 0 0 0 0 0 0 0 0 -1.4708 -0.9542 0.0000 N 0 0 0 0 0 0 0 0 0 2.1042 1.9333 0.0000 C 0 0 0 0 0 0 0 0 0 2.8042 0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0500 0.6958 0.0000 C 0 0 0 0 0 0 0 0 0 2.4375 -2.8042 0.0000 C 0 0 0 0 0 0 0 0 0 3.5292 1.9208 0.0000 C 0 0 0 0 0 0 0 0 0 2.4167 0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 3.5250 1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 2.8167 2.3375 0.0000 C 0 0 0 0 0 0 0 0 0 4.2417 2.3333 0.0000 F 0 0 0 0 0 0 0 0 0 -2.1833 -0.5417 0.0000 O 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 1 1 0 0 0 5 2 1 0 0 0 6 8 2 0 0 0 7 5 1 0 0 0 8 2 1 0 0 0 9 3 1 0 0 0 10 12 1 0 0 0 11 9 1 0 0 0 12 9 2 0 0 0 13 1 1 0 0 0 14 1 2 0 0 0 15 1 2 0 0 0 16 11 2 0 0 0 17 11 1 0 0 0 18 13 1 0 0 0 19 13 2 0 0 0 20 4 1 0 0 0 21 7 1 0 0 0 22 24 2 0 0 0 23 8 1 0 0 0 24 19 1 0 0 0 25 18 2 0 0 0 26 22 1 0 0 0 27 17 1 0 0 0 22 25 1 0 0 0 5 10 2 0 0 0 6 7 1 0 0 0 M END > 6.76955107862173 > 6.75202673363819 $$$$ 11280715242D 1 1.00000 0.00000 0 29 31 0 0 0 999 V2000 4.8750 -1.7375 0.0000 S 0 0 3 0 0 0 0 0 0 4.8750 -2.3375 0.0000 N 0 0 3 0 0 0 0 0 0 4.3625 -2.6375 0.0000 C 0 0 3 0 0 0 0 0 0 4.8750 -3.5375 0.0000 N 0 0 3 0 0 0 0 0 0 4.3625 -3.2375 0.0000 C 0 0 0 0 0 0 0 0 0 4.8750 -4.1292 0.0000 C 0 0 0 0 0 0 0 0 0 3.8417 -2.3375 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -2.6375 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 4.3250 -1.3500 0.0000 O 0 0 0 0 0 0 0 0 0 5.5875 -2.1500 0.0000 O 0 0 0 0 0 0 0 0 0 5.3917 -3.2375 0.0000 C 0 0 0 0 0 0 0 0 0 4.3542 -4.4292 0.0000 O 0 0 0 0 0 0 0 0 0 3.8375 -1.7375 0.0000 O 0 0 0 0 0 0 0 0 0 5.3917 -4.4375 0.0000 C 0 0 0 0 0 0 0 0 0 3.3167 -2.6375 0.0000 N 0 0 0 0 0 0 0 0 0 5.9125 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 6.4292 -0.8292 0.0000 C 0 0 0 0 0 0 0 0 0 5.9042 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 6.4292 -1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 2.8000 -2.3375 0.0000 O 0 0 0 0 0 0 0 0 0 6.9500 -0.5292 0.0000 O 0 0 0 0 0 0 0 0 0 5.9125 -4.1292 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -5.0375 0.0000 C 0 0 0 0 0 0 0 0 0 7.4667 -0.8292 0.0000 C 0 0 0 0 0 0 0 0 0 5.9042 -5.3375 0.0000 C 0 0 0 0 0 0 0 0 0 6.4292 -4.4292 0.0000 C 0 0 0 0 0 0 0 0 0 6.4292 -5.0375 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 12 1 0 0 0 5 3 1 0 0 0 6 4 1 0 0 0 7 3 1 0 0 0 8 2 1 0 0 0 9 1 1 0 0 0 10 1 2 0 0 0 11 1 2 0 0 0 12 8 1 0 0 0 13 6 2 0 0 0 14 7 2 0 0 0 15 6 1 0 0 0 16 7 1 0 0 0 17 9 2 0 0 0 18 9 1 0 0 0 19 20 1 0 0 0 20 18 2 0 0 0 21 17 1 0 0 0 22 16 1 0 0 0 23 19 1 0 0 0 24 15 1 0 0 0 25 15 2 0 0 0 26 23 1 0 0 0 27 25 1 0 0 0 28 24 2 0 0 0 29 27 2 0 0 0 19 21 2 0 0 0 4 5 1 0 0 0 29 28 1 0 0 0 M END > 8.52287874528034 > 7.09151498112135 $$$$ 11280715012D 1 1.00000 0.00000 0 32 35 0 0 0 999 V2000 2.5542 -4.2917 0.0000 S 0 0 3 0 0 0 0 0 0 1.8375 -3.8792 0.0000 N 0 0 0 0 0 0 0 0 0 1.1167 -4.2917 0.0000 C 0 0 3 0 0 0 0 0 0 0.4042 -3.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0.4042 -6.3500 0.0000 C 0 0 3 0 0 0 0 0 0 1.1250 -5.1167 0.0000 C 0 0 3 0 0 0 0 0 0 3.2667 -3.8792 0.0000 C 0 0 0 0 0 0 0 0 0 3.1375 -4.8792 0.0000 O 0 0 0 0 0 0 0 0 0 1.9667 -4.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0.4042 -5.5292 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3125 -5.9375 0.0000 O 0 0 0 0 0 0 0 0 0 0.4000 -7.1750 0.0000 O 0 0 0 0 0 0 0 0 0 4.7000 -3.0542 0.0000 C 0 0 0 0 0 0 0 0 0 5.4125 -2.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0.4042 -3.0542 0.0000 O 0 0 0 0 0 0 0 0 0 3.2667 -3.0542 0.0000 C 0 0 0 0 0 0 0 0 0 3.9792 -4.2917 0.0000 C 0 0 0 0 0 0 0 0 0 3.9792 -2.6417 0.0000 C 0 0 0 0 0 0 0 0 0 4.7000 -3.8792 0.0000 C 0 0 0 0 0 0 0 0 0 6.1250 -3.0500 0.0000 C 0 0 0 0 0 0 0 0 0 5.4042 -1.8167 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3083 -4.2917 0.0000 O 0 0 0 0 0 0 0 0 0 6.8292 -1.8042 0.0000 C 0 0 0 0 0 0 0 0 0 6.8375 -2.6375 0.0000 C 0 0 0 0 0 0 0 0 0 6.1125 -1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 1.1167 -6.7625 0.0000 C 0 0 0 0 0 0 0 0 0 1.8375 -5.5250 0.0000 C 0 0 0 0 0 0 0 0 0 7.5417 -1.3917 0.0000 O 0 0 0 0 0 0 0 0 0 1.8292 -6.3500 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7333 -6.6500 0.0000 C 0 0 0 0 0 0 0 0 0 -0.4250 -7.1667 0.0000 C 0 0 0 0 0 0 0 0 0 8.2625 -1.8042 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 10 1 0 0 0 6 3 1 0 0 0 7 1 1 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 6 1 0 0 0 11 5 1 0 0 0 12 5 1 0 0 0 13 19 1 0 0 0 14 13 1 0 0 0 15 4 2 0 0 0 16 7 2 0 0 0 17 7 1 0 0 0 18 16 1 0 0 0 19 17 2 0 0 0 20 14 2 0 0 0 21 14 1 0 0 0 22 4 1 0 0 0 23 25 1 0 0 0 24 20 1 0 0 0 25 21 2 0 0 0 26 29 1 0 0 0 27 6 1 0 0 0 28 23 1 0 0 0 29 27 1 0 0 0 30 11 1 0 0 0 31 12 1 0 0 0 32 28 1 0 0 0 18 13 2 0 0 0 5 26 1 0 0 0 24 23 2 0 0 0 31 30 1 0 0 0 M END > 7.88605664769316 > 5.42250820016278 $$$$ 11280715072D 1 1.00000 0.00000 0 40 42 0 1 0 999 V2000 5.3792 -2.5917 0.0000 N 0 0 0 0 0 0 0 0 0 4.6667 -3.0125 0.0000 C 0 0 0 0 0 0 0 0 0 2.5250 -2.6125 0.0000 P 0 0 3 0 0 0 0 0 0 3.9500 -2.6042 0.0000 C 0 0 3 0 0 0 0 0 0 6.0917 -3.0042 0.0000 C 0 0 2 0 0 0 0 0 0 6.8042 -2.5875 0.0000 C 0 0 0 0 0 0 0 0 0 3.2375 -3.0167 0.0000 C 0 0 0 0 0 0 0 0 0 6.1000 -3.8292 0.0000 C 0 0 3 0 0 0 0 0 0 2.5167 -1.7875 0.0000 O 0 0 0 0 0 0 0 0 0 4.6667 -3.8375 0.0000 O 0 0 0 0 0 0 0 0 0 3.9417 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 6.8042 -1.7625 0.0000 O 0 0 0 0 0 0 0 0 0 1.8125 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 4.6542 -0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 3.9417 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 4.6542 -1.3625 0.0000 C 0 0 0 0 0 0 0 0 0 7.5250 -3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 2.5167 -3.4375 0.0000 O 0 0 0 0 0 0 0 0 0 1.0917 -2.6167 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3333 -1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0500 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 3.2250 -0.5417 0.0000 F 0 0 0 0 0 0 0 0 0 0.3667 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0.3792 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3333 -2.6250 0.0000 C 0 0 0 0 0 0 0 0 0 1.0875 -1.7875 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7625 -1.8042 0.0000 C 0 0 0 0 0 0 0 0 0 6.1125 -4.6542 0.0000 C 0 0 0 0 0 0 0 0 0 5.2750 -3.8250 0.0000 C 0 0 0 0 0 0 0 0 0 6.9250 -3.8292 0.0000 C 0 0 0 0 0 0 0 0 0 5.3667 -0.1250 0.0000 C 0 0 0 0 0 0 0 0 0 3.9292 0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 8.2375 -2.5792 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7625 -2.6375 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4833 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 4.6417 1.1083 0.0000 C 0 0 0 0 0 0 0 0 0 5.3625 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4833 -3.0500 0.0000 C 0 0 0 0 0 0 0 0 0 -3.1958 -1.8125 0.0000 C 0 0 0 0 0 0 0 0 0 -3.1958 -2.6375 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 7 1 0 0 0 4 2 1 0 0 0 5 1 1 0 0 0 6 5 1 0 0 0 7 4 1 0 0 0 5 8 1 6 0 0 9 3 2 0 0 0 10 2 2 0 0 0 4 11 1 0 0 0 12 6 2 0 0 0 13 3 1 0 0 0 14 16 1 0 0 0 15 14 1 0 0 0 16 11 1 0 0 0 17 6 1 0 0 0 18 3 1 0 0 0 19 13 1 0 0 0 20 23 1 0 0 0 21 20 1 0 0 0 22 15 1 0 0 0 23 26 2 0 0 0 24 19 2 0 0 0 25 24 1 0 0 0 26 19 1 0 0 0 27 21 1 0 0 0 28 8 1 0 0 0 29 8 1 0 0 0 30 8 1 0 0 0 31 14 2 0 0 0 32 15 2 0 0 0 33 17 1 0 0 0 34 27 1 0 0 0 35 27 2 0 0 0 36 37 2 0 0 0 37 31 1 0 0 0 38 34 2 0 0 0 39 35 1 0 0 0 40 39 2 0 0 0 36 32 1 0 0 0 25 20 2 0 0 0 40 38 1 0 0 0 M END > 8 > 6.55284196865778 $$$$ 11280714472D 1 1.00000 0.00000 0 28 29 0 0 0 999 V2000 5.3292 -2.8250 0.0000 S 0 0 3 0 0 0 0 0 0 3.2792 -3.5417 0.0000 C 0 0 0 0 0 0 0 0 0 4.5042 -2.8250 0.0000 N 0 0 3 0 0 0 0 0 0 4.0917 -3.5417 0.0000 C 0 0 0 0 0 0 0 0 0 4.5042 -4.2542 0.0000 C 0 0 0 0 0 0 0 0 0 2.8667 -2.8250 0.0000 C 0 0 0 0 0 0 0 0 0 5.9167 -2.2375 0.0000 C 0 0 0 0 0 0 0 0 0 5.9167 -3.4042 0.0000 O 0 0 0 0 0 0 0 0 0 5.3292 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 2.8750 -4.2417 0.0000 C 0 0 0 0 0 0 0 0 0 9.0292 -0.0875 0.0000 C 0 0 0 0 0 0 0 0 0 9.6125 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 4.0917 -4.9542 0.0000 C 0 0 0 0 0 0 0 0 0 3.2792 -4.9542 0.0000 C 0 0 0 0 0 0 0 0 0 3.2792 -2.1125 0.0000 O 0 0 0 0 0 0 0 0 0 2.0417 -2.8250 0.0000 N 0 0 0 0 0 0 0 0 0 6.7167 -2.4417 0.0000 C 0 0 0 0 0 0 0 0 0 5.6917 -1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 4.0917 -2.1125 0.0000 C 0 0 0 0 0 0 0 0 0 2.8625 -5.6667 0.0000 Br 0 0 0 0 0 0 0 0 0 7.0750 -1.0542 0.0000 C 0 0 0 0 0 0 0 0 0 6.2667 -0.8542 0.0000 C 0 0 0 0 0 0 0 0 0 7.2917 -1.8542 0.0000 C 0 0 0 0 0 0 0 0 0 1.6292 -3.5417 0.0000 O 0 0 0 0 0 0 0 0 0 5.3292 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 8.4500 -0.6750 0.0000 C 0 0 0 0 0 0 0 0 0 7.6500 -0.4667 0.0000 O 0 0 0 0 0 0 0 0 0 10.1917 1.0875 0.0000 C 0 0 0 0 0 0 0 0 0 2 4 2 0 0 0 3 1 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 6 2 1 0 0 0 7 1 1 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 2 1 0 0 0 11 26 1 0 0 0 12 11 3 0 0 0 13 5 2 0 0 0 14 13 1 0 0 0 15 6 2 0 0 0 16 6 1 0 0 0 17 7 2 0 0 0 18 7 1 0 0 0 19 3 1 0 0 0 20 14 1 0 0 0 21 22 1 0 0 0 22 18 2 0 0 0 23 17 1 0 0 0 24 16 1 0 0 0 25 5 1 0 0 0 26 27 1 0 0 0 27 21 1 0 0 0 28 12 1 0 0 0 23 21 2 0 0 0 10 14 2 0 0 0 M END > 6.81247927916354 > 5.79155864356143 $$$$ 11280715002D 1 1.00000 0.00000 0 38 40 0 0 0 999 V2000 4.1917 -7.2292 0.0000 S 0 0 3 0 0 0 0 0 0 7.8542 -7.2417 0.0000 S 0 0 3 0 0 0 0 0 0 3.6667 -6.9292 0.0000 N 0 0 3 0 0 0 0 0 0 7.2917 -7.0375 0.0000 N 0 0 0 0 0 0 0 0 0 5.7542 -5.1167 0.0000 N 0 3 0 0 0 0 0 0 0 6.8292 -7.4292 0.0000 C 0 0 0 0 0 0 0 0 0 4.7042 -7.5292 0.0000 C 0 0 0 0 0 0 0 0 0 3.1500 -7.2292 0.0000 C 0 0 0 0 0 0 0 0 0 2.6250 -6.9292 0.0000 C 0 0 0 0 0 0 0 0 0 3.8917 -7.7542 0.0000 O 0 0 0 0 0 0 0 0 0 4.5000 -6.7042 0.0000 O 0 0 0 0 0 0 0 0 0 5.2250 -7.2250 0.0000 C 0 0 0 0 0 0 0 0 0 5.2417 -5.4167 0.0000 C 0 0 0 0 0 0 0 0 0 8.0667 -6.6792 0.0000 O 0 0 0 0 0 0 0 0 0 7.6542 -7.8167 0.0000 O 0 0 0 0 0 0 0 0 0 6.2625 -7.2167 0.0000 N 0 0 0 0 0 0 0 0 0 8.4167 -7.4625 0.0000 C 0 0 0 0 0 0 0 0 0 6.2875 -5.4167 0.0000 O 0 5 0 0 0 0 0 0 0 3.6667 -6.3292 0.0000 C 0 0 0 0 0 0 0 0 0 5.7542 -4.5167 0.0000 O 0 0 0 0 0 0 0 0 0 5.7417 -7.5292 0.0000 C 0 0 0 0 0 0 0 0 0 6.8667 -7.9667 0.0000 O 0 0 0 0 0 0 0 0 0 2.1042 -7.2292 0.0000 O 0 0 0 0 0 0 0 0 0 2.6250 -6.3292 0.0000 N 0 0 0 0 0 0 0 0 0 5.2417 -6.0250 0.0000 C 0 0 0 0 0 0 0 0 0 4.7125 -5.1167 0.0000 C 0 0 0 0 0 0 0 0 0 4.1917 -6.0250 0.0000 C 0 0 0 0 0 0 0 0 0 4.7125 -6.3292 0.0000 C 0 0 0 0 0 0 0 0 0 4.1917 -5.4167 0.0000 C 0 0 0 0 0 0 0 0 0 2.1042 -6.0250 0.0000 O 0 0 0 0 0 0 0 0 0 4.7042 -8.1292 0.0000 C 0 0 0 0 0 0 0 0 0 5.2250 -8.4167 0.0000 C 0 0 0 0 0 0 0 0 0 5.7417 -8.1292 0.0000 C 0 0 0 0 0 0 0 0 0 8.8792 -7.0750 0.0000 C 0 0 0 0 0 0 0 0 0 8.5167 -8.0542 0.0000 C 0 0 0 0 0 0 0 0 0 9.0792 -8.2667 0.0000 C 0 0 0 0 0 0 0 0 0 9.4417 -7.2875 0.0000 C 0 0 0 0 0 0 0 0 0 9.5417 -7.8792 0.0000 C 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 3 1 1 0 0 0 4 6 1 0 0 0 5 13 1 0 0 0 6 16 1 0 0 0 7 1 1 0 0 0 8 3 1 0 0 0 9 8 1 0 0 0 10 1 2 0 0 0 11 1 2 0 0 0 12 7 1 0 0 0 13 26 1 0 0 0 14 2 2 0 0 0 15 2 2 0 0 0 16 21 1 0 0 0 17 2 1 0 0 0 18 5 1 0 0 0 19 3 1 0 0 0 20 5 2 0 0 0 21 12 2 0 0 0 22 6 2 0 0 0 23 9 2 0 0 0 24 9 1 0 0 0 25 28 1 0 0 0 26 29 2 0 0 0 27 19 1 0 0 0 28 27 2 0 0 0 29 27 1 0 0 0 30 24 1 0 0 0 31 7 2 0 0 0 32 31 1 0 0 0 33 32 2 0 0 0 34 17 1 0 0 0 35 17 2 0 0 0 36 35 1 0 0 0 37 34 2 0 0 0 38 36 2 0 0 0 21 33 1 0 0 0 25 13 2 0 0 0 38 37 1 0 0 0 M CHG 2 5 1 18 -1 M END > 7.74472749489669 > 7.74472749489669 $$$$ 11280714452D 1 1.00000 0.00000 0 33 35 0 1 0 999 V2000 7.3292 -1.3750 0.0000 S 0 0 3 0 0 0 0 0 0 7.3292 -2.2000 0.0000 N 0 0 0 0 0 0 0 0 0 6.6125 -2.6125 0.0000 C 0 0 3 0 0 0 0 0 0 7.3292 -3.8500 0.0000 C 0 0 0 0 0 0 0 0 0 8.0375 -4.2542 0.0000 C 0 0 0 0 0 0 0 0 0 5.9000 -2.2000 0.0000 C 0 0 0 0 0 0 0 0 0 8.0417 -0.9625 0.0000 C 0 0 0 0 0 0 0 0 0 7.1125 -0.5667 0.0000 O 0 0 0 0 0 0 0 0 0 6.5250 -1.5792 0.0000 O 0 0 0 0 0 0 0 0 0 6.6125 -3.4375 0.0000 C 0 0 1 0 0 0 0 0 0 9.4667 -0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 10.1875 0.2750 0.0000 C 0 0 0 0 0 0 0 0 0 5.9000 -1.3750 0.0000 O 0 0 0 0 0 0 0 0 0 8.0417 -0.1417 0.0000 C 0 0 0 0 0 0 0 0 0 8.7542 -1.3750 0.0000 C 0 0 0 0 0 0 0 0 0 9.4667 -0.9625 0.0000 C 0 0 0 0 0 0 0 0 0 8.7542 0.2750 0.0000 C 0 0 0 0 0 0 0 0 0 10.8917 -0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 10.1792 1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 8.7500 -4.6667 0.0000 C 0 0 0 0 0 0 0 0 0 5.1875 -2.6125 0.0000 O 0 0 0 0 0 0 0 0 0 11.6125 1.1000 0.0000 C 0 0 0 0 0 0 0 0 0 10.8917 1.5125 0.0000 C 0 0 0 0 0 0 0 0 0 11.6125 0.2750 0.0000 C 0 0 0 0 0 0 0 0 0 5.9000 -3.8500 0.0000 O 0 0 0 0 0 0 0 0 0 12.3250 1.5208 0.0000 O 0 0 0 0 0 0 0 0 0 8.7500 -5.4917 0.0000 C 0 0 0 0 0 0 0 0 0 9.4625 -4.2542 0.0000 C 0 0 0 0 0 0 0 0 0 5.9000 -4.6750 0.0000 C 0 0 0 0 0 0 0 0 0 13.0417 1.1083 0.0000 C 0 0 0 0 0 0 0 0 0 10.1667 -4.6667 0.0000 C 0 0 0 0 0 0 0 0 0 9.4542 -5.9042 0.0000 C 0 0 0 0 0 0 0 0 0 10.1750 -5.4917 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 10 1 0 0 0 5 4 3 0 0 0 6 3 1 0 0 0 7 1 1 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 3 1 0 0 0 11 16 2 0 0 0 12 11 1 0 0 0 13 6 2 0 0 0 14 7 1 0 0 0 15 7 2 0 0 0 16 15 1 0 0 0 17 14 2 0 0 0 18 12 2 0 0 0 19 12 1 0 0 0 20 5 1 0 0 0 21 6 1 0 0 0 22 23 1 0 0 0 23 19 2 0 0 0 24 18 1 0 0 0 10 25 1 1 0 0 26 22 1 0 0 0 27 20 2 0 0 0 28 20 1 0 0 0 29 25 1 0 0 0 30 26 1 0 0 0 31 28 2 0 0 0 32 27 1 0 0 0 33 31 1 0 0 0 17 11 1 0 0 0 24 22 2 0 0 0 32 33 2 0 0 0 M END > 7.09151498112135 > 5.3767507096021 $$$$ 11280715192D 1 1.00000 0.00000 0 30 32 0 1 0 999 V2000 9.2250 -2.9750 0.0000 S 0 0 3 0 0 0 0 0 0 4.4667 -0.7042 0.0000 N 0 0 0 0 0 0 0 0 0 5.7667 -1.4542 0.0000 C 0 0 0 0 0 0 0 0 0 6.6292 -1.4625 0.0000 N 0 0 0 0 0 0 0 0 0 5.3375 -0.7042 0.0000 N 0 0 0 0 0 0 0 0 0 8.3542 -2.9667 0.0000 N 0 0 0 0 0 0 0 0 0 7.0625 -2.2167 0.0000 C 0 0 0 0 0 0 0 0 0 7.9292 -2.2167 0.0000 C 0 0 2 0 0 0 0 0 0 4.0375 -1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 5.3292 -2.2042 0.0000 S 0 0 0 0 0 0 0 0 0 -0.3000 -1.4292 0.0000 N 0 0 0 0 0 0 0 0 0 10.0792 -2.9750 0.0000 O 0 0 0 0 0 0 0 0 0 9.2167 -2.1125 0.0000 O 0 0 0 0 0 0 0 0 0 9.6500 -3.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0.5750 -1.4375 0.0000 C 0 0 0 0 0 0 0 0 0 3.1667 -1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 4.4667 -2.2042 0.0000 C 0 0 0 0 0 0 0 0 0 6.6250 -2.9625 0.0000 O 0 0 0 0 0 0 0 0 0 2.7417 -0.6917 0.0000 C 0 0 0 0 0 0 0 0 0 2.7417 -2.1917 0.0000 C 0 0 0 0 0 0 0 0 0 1.4417 -1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 1.8750 -2.1917 0.0000 C 0 0 0 0 0 0 0 0 0 1.8750 -0.6917 0.0000 C 0 0 0 0 0 0 0 0 0 8.7625 -1.9917 0.0000 C 0 0 0 0 0 0 0 0 0 9.2042 -4.4667 0.0000 C 0 0 0 0 0 0 0 0 0 10.5042 -3.7292 0.0000 C 0 0 0 0 0 0 0 0 0 10.9375 -4.4792 0.0000 C 0 0 0 0 0 0 0 0 0 9.6292 -5.2250 0.0000 C 0 0 0 0 0 0 0 0 0 10.4917 -5.2292 0.0000 C 0 0 0 0 0 0 0 0 0 7.9250 -1.3542 0.0000 H 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 3 4 1 0 0 0 4 7 1 0 0 0 5 3 2 0 0 0 6 1 1 0 0 0 7 8 1 0 0 0 8 6 1 0 0 0 9 17 1 0 0 0 10 3 1 0 0 0 11 15 3 0 0 0 12 1 2 0 0 0 13 1 2 0 0 0 14 1 1 0 0 0 15 21 1 0 0 0 16 9 1 0 0 0 17 10 1 0 0 0 18 7 2 0 0 0 19 16 2 0 0 0 20 16 1 0 0 0 21 22 1 0 0 0 22 20 2 0 0 0 23 19 1 0 0 0 8 24 1 6 0 0 25 14 2 0 0 0 26 14 1 0 0 0 27 26 2 0 0 0 28 25 1 0 0 0 29 27 1 0 0 0 8 30 1 1 0 0 28 29 2 0 0 0 2 9 2 0 0 0 23 21 2 0 0 0 M END > 6.60205999132796 > 6.4089353929735 $$$$ 11280715002D 1 1.00000 0.00000 0 29 30 0 0 0 999 V2000 6.0875 -7.6417 0.0000 S 0 0 3 0 0 0 0 0 0 5.5667 -7.3375 0.0000 N 0 0 0 0 0 0 0 0 0 5.5667 -6.7292 0.0000 C 0 0 0 0 0 0 0 0 0 7.1292 -4.6167 0.0000 N 0 3 0 0 0 0 0 0 0 5.0417 -6.4292 0.0000 N 0 0 3 0 0 0 0 0 0 6.6125 -7.9375 0.0000 C 0 0 0 0 0 0 0 0 0 4.0000 -6.4292 0.0000 C 0 0 0 0 0 0 0 0 0 5.7875 -8.1542 0.0000 O 0 0 0 0 0 0 0 0 0 6.3917 -7.1125 0.0000 O 0 0 0 0 0 0 0 0 0 6.6167 -4.9167 0.0000 C 0 0 0 0 0 0 0 0 0 4.5250 -6.7292 0.0000 C 0 0 0 0 0 0 0 0 0 7.6625 -4.9167 0.0000 O 0 5 0 0 0 0 0 0 0 7.1292 -4.0167 0.0000 O 0 0 0 0 0 0 0 0 0 6.0875 -6.4292 0.0000 O 0 0 0 0 0 0 0 0 0 5.0417 -5.8292 0.0000 C 0 0 0 0 0 0 0 0 0 3.4792 -6.7292 0.0000 O 0 0 0 0 0 0 0 0 0 4.0000 -5.8292 0.0000 N 0 0 0 0 0 0 0 0 0 6.6042 -8.5292 0.0000 C 0 0 0 0 0 0 0 0 0 7.1167 -7.6375 0.0000 C 0 0 0 0 0 0 0 0 0 6.6167 -5.5250 0.0000 C 0 0 0 0 0 0 0 0 0 6.0875 -4.6167 0.0000 C 0 0 0 0 0 0 0 0 0 5.5667 -5.5250 0.0000 C 0 0 0 0 0 0 0 0 0 7.6417 -8.5292 0.0000 C 0 0 0 0 0 0 0 0 0 5.5667 -4.9167 0.0000 C 0 0 0 0 0 0 0 0 0 6.0875 -5.8292 0.0000 C 0 0 0 0 0 0 0 0 0 7.6375 -7.9292 0.0000 C 0 0 0 0 0 0 0 0 0 7.1292 -8.8292 0.0000 C 0 0 0 0 0 0 0 0 0 8.1667 -8.8292 0.0000 F 0 0 0 0 0 0 0 0 0 3.4792 -5.5250 0.0000 O 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 10 1 0 0 0 5 3 1 0 0 0 6 1 1 0 0 0 7 11 1 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 20 2 0 0 0 11 5 1 0 0 0 12 4 1 0 0 0 13 4 2 0 0 0 14 3 2 0 0 0 15 5 1 0 0 0 16 7 2 0 0 0 17 7 1 0 0 0 18 6 2 0 0 0 19 6 1 0 0 0 20 25 1 0 0 0 21 24 2 0 0 0 22 15 1 0 0 0 23 26 1 0 0 0 24 22 1 0 0 0 25 22 2 0 0 0 26 19 2 0 0 0 27 18 1 0 0 0 28 23 1 0 0 0 29 17 1 0 0 0 27 23 2 0 0 0 21 10 1 0 0 0 M CHG 2 4 1 12 -1 M END > 8 > 8 $$$$ 11280715072D 1 1.00000 0.00000 0 22 22 0 0 0 999 V2000 2.7917 -0.7292 0.0000 S 0 0 3 0 0 0 0 0 0 3.5042 -0.3167 0.0000 C 0 0 3 0 0 0 0 0 0 4.2167 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 1.9667 -0.7667 0.0000 C 0 0 0 0 0 0 0 0 0 2.7792 0.9125 0.0000 C 0 0 0 0 0 0 0 0 0 4.2042 0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 3.3750 -1.3167 0.0000 O 0 0 0 0 0 0 0 0 0 2.2042 -1.3167 0.0000 O 0 0 0 0 0 0 0 0 0 2.7750 1.7375 0.0000 C 0 0 0 0 0 0 0 0 0 4.2042 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 4.2292 -1.5417 0.0000 O 0 0 0 0 0 0 0 0 0 4.9292 -0.3042 0.0000 N 0 0 0 0 0 0 0 0 0 4.2167 0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 2.7792 0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 1.5250 -0.0667 0.0000 C 0 0 0 0 0 0 0 0 0 1.5792 -1.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0.3167 -0.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0.7542 -1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0.6917 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 5.6500 -0.7042 0.0000 O 0 0 0 0 0 0 0 0 0 -0.5083 -0.8667 0.0000 O 0 0 0 0 0 0 0 0 0 -0.8958 -1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 1 1 0 0 0 5 14 1 0 0 0 6 13 1 0 0 0 7 1 2 0 0 0 8 1 2 0 0 0 9 5 3 0 0 0 10 6 3 0 0 0 11 3 2 0 0 0 12 3 1 0 0 0 13 2 1 0 0 0 14 2 1 0 0 0 15 4 2 0 0 0 16 4 1 0 0 0 17 18 1 0 0 0 18 16 2 0 0 0 19 15 1 0 0 0 20 12 1 0 0 0 21 17 1 0 0 0 22 21 1 0 0 0 17 19 2 0 0 0 M END > 7.92081875395237 > 6.52287874528034 $$$$ 11280715002D 1 1.00000 0.00000 0 29 30 0 0 0 999 V2000 5.5667 -6.7250 0.0000 S 0 0 3 0 0 0 0 0 0 5.0417 -6.4250 0.0000 N 0 0 3 0 0 0 0 0 0 7.1292 -4.6125 0.0000 N 0 3 0 0 0 0 0 0 0 4.5167 -6.7250 0.0000 C 0 0 0 0 0 0 0 0 0 3.9917 -6.4250 0.0000 C 0 0 0 0 0 0 0 0 0 6.0792 -7.0250 0.0000 C 0 0 0 0 0 0 0 0 0 5.8667 -6.2042 0.0000 O 0 0 0 0 0 0 0 0 0 5.2625 -7.2417 0.0000 O 0 0 0 0 0 0 0 0 0 6.6125 -4.9125 0.0000 C 0 0 0 0 0 0 0 0 0 7.6542 -4.9125 0.0000 O 0 5 0 0 0 0 0 0 0 5.0417 -5.8167 0.0000 C 0 0 0 0 0 0 0 0 0 7.6542 -8.5292 0.0000 C 0 0 0 0 0 0 0 0 0 7.1292 -4.0042 0.0000 O 0 0 0 0 0 0 0 0 0 7.6542 -7.9292 0.0000 N 0 0 0 0 0 0 0 0 0 3.4750 -6.7250 0.0000 O 0 0 0 0 0 0 0 0 0 7.1292 -8.8375 0.0000 O 0 0 0 0 0 0 0 0 0 3.9917 -5.8167 0.0000 N 0 0 0 0 0 0 0 0 0 6.6000 -6.7167 0.0000 C 0 0 0 0 0 0 0 0 0 6.0792 -7.6292 0.0000 C 0 0 0 0 0 0 0 0 0 6.0792 -4.6125 0.0000 C 0 0 0 0 0 0 0 0 0 6.6125 -5.5167 0.0000 C 0 0 0 0 0 0 0 0 0 7.1292 -7.6292 0.0000 C 0 0 0 0 0 0 0 0 0 5.5667 -5.5167 0.0000 C 0 0 0 0 0 0 0 0 0 6.6042 -7.9292 0.0000 C 0 0 0 0 0 0 0 0 0 7.1292 -7.0167 0.0000 C 0 0 0 0 0 0 0 0 0 6.0792 -5.8167 0.0000 C 0 0 0 0 0 0 0 0 0 5.5667 -4.9125 0.0000 C 0 0 0 0 0 0 0 0 0 3.4750 -5.5167 0.0000 O 0 0 0 0 0 0 0 0 0 8.1750 -8.8375 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 9 1 0 0 0 4 2 1 0 0 0 5 4 1 0 0 0 6 1 1 0 0 0 7 1 2 0 0 0 8 1 2 0 0 0 9 20 1 0 0 0 10 3 1 0 0 0 11 2 1 0 0 0 12 14 1 0 0 0 13 3 2 0 0 0 14 22 1 0 0 0 15 5 2 0 0 0 16 12 2 0 0 0 17 5 1 0 0 0 18 6 1 0 0 0 19 6 2 0 0 0 20 27 2 0 0 0 21 26 1 0 0 0 22 24 2 0 0 0 23 11 1 0 0 0 24 19 1 0 0 0 25 18 2 0 0 0 26 23 2 0 0 0 27 23 1 0 0 0 28 17 1 0 0 0 29 12 1 0 0 0 25 22 1 0 0 0 21 9 2 0 0 0 M CHG 2 3 1 10 -1 M END > 8 > 8 $$$$ 11280715142D 1 1.00000 0.00000 0 30 31 0 0 0 999 V2000 4.5500 0.0000 0.0000 S 0 0 3 0 0 0 0 0 0 3.8292 -0.4250 0.0000 N 0 0 3 0 0 0 0 0 0 3.8417 -1.2542 0.0000 C 0 0 3 0 0 0 0 0 0 3.1292 -1.6667 0.0000 C 0 0 0 0 0 0 0 0 0 5.2667 0.4250 0.0000 C 0 0 0 0 0 0 0 0 0 4.9750 -0.7167 0.0000 O 0 0 0 0 0 0 0 0 0 4.1250 0.7208 0.0000 O 0 0 0 0 0 0 0 0 0 8.1292 2.9208 0.0000 C 0 0 0 0 0 0 0 0 0 8.8500 3.3333 0.0000 C 0 0 0 0 0 0 0 0 0 3.1417 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 2.4125 -1.2625 0.0000 N 0 0 0 0 0 0 0 0 0 6.0000 -4.9542 0.0000 N 0 0 0 0 0 0 0 0 0 5.9792 0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 5.2667 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 4.5625 -2.4875 0.0000 S 0 0 0 0 0 0 0 0 0 5.2792 -3.7250 0.0000 C 0 0 0 0 0 0 0 0 0 4.5625 -1.6625 0.0000 C 0 0 0 0 0 0 0 0 0 6.7000 1.2583 0.0000 C 0 0 0 0 0 0 0 0 0 3.1042 -0.0167 0.0000 C 0 0 0 0 0 0 0 0 0 5.9792 1.6708 0.0000 C 0 0 0 0 0 0 0 0 0 6.7000 0.4250 0.0000 C 0 0 0 0 0 0 0 0 0 1.7000 -1.6750 0.0000 O 0 0 0 0 0 0 0 0 0 7.4167 2.5083 0.0000 C 0 0 0 0 0 0 0 0 0 5.9917 -4.1292 0.0000 C 0 0 0 0 0 0 0 0 0 7.4167 1.6750 0.0000 O 0 0 0 0 0 0 0 0 0 5.2792 -2.9000 0.0000 C 0 0 0 0 0 0 0 0 0 9.5667 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 5.2875 -5.3667 0.0000 C 0 0 0 0 0 0 0 0 0 4.5667 -4.1292 0.0000 C 0 0 0 0 0 0 0 0 0 4.5667 -4.9542 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 1 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 23 1 0 0 0 9 8 3 0 0 0 10 4 2 0 0 0 11 4 1 0 0 0 12 24 2 0 0 0 13 5 1 0 0 0 14 5 2 0 0 0 15 17 1 0 0 0 16 26 1 0 0 0 17 3 1 0 0 0 18 20 2 0 0 0 19 2 1 0 0 0 20 14 1 0 0 0 21 13 2 0 0 0 22 11 1 0 0 0 23 25 1 0 0 0 24 16 1 0 0 0 25 18 1 0 0 0 26 15 1 0 0 0 27 9 1 0 0 0 28 30 2 0 0 0 29 16 2 0 0 0 30 29 1 0 0 0 18 21 1 0 0 0 28 12 1 0 0 0 M END > 8.30102999566398 > 7.21467016498923 $$$$ SciTegic04021211102D 28 30 0 0 0 0 999 V2000 10.5007 0.5597 0.0000 O 0 0 11.3008 0.3440 0.0000 S 0 0 11.0854 1.1454 0.0000 O 0 0 10.5919 -0.8954 0.0000 C 0 0 2 0 0 0 10.5919 -1.7204 0.0000 C 0 0 11.3045 -2.1309 0.0000 N 0 0 12.0128 -1.7204 0.0000 C 0 0 12.0128 -0.8954 0.0000 C 0 0 11.3045 -0.4809 0.0000 N 0 0 9.8775 -2.1360 0.0000 O 0 0 12.7273 -2.1360 0.0000 O 0 0 11.3045 -2.9558 0.0000 O 0 0 9.8757 -0.4871 0.0000 C 0 0 9.8733 0.3379 0.0000 C 0 0 9.1620 -0.8996 0.0000 C 0 0 12.0099 0.7618 0.0000 C 0 0 12.7253 0.3478 0.0000 C 0 0 13.4380 0.7649 0.0000 C 0 0 13.4347 1.5908 0.0000 C 0 0 12.7129 1.9978 0.0000 C 0 0 12.0032 1.5825 0.0000 C 0 0 14.1474 2.0053 0.0000 O 0 0 14.8647 1.5990 0.0000 C 0 0 14.8680 0.7742 0.0000 C 0 0 15.5845 0.3638 0.0000 C 0 0 16.2981 0.7825 0.0000 C 0 0 16.2907 1.6117 0.0000 C 0 0 15.5736 2.0142 0.0000 C 0 0 5 6 1 0 13 15 1 0 9 2 1 0 6 7 1 0 2 16 1 0 7 8 1 0 16 17 2 0 8 9 1 0 17 18 1 0 3 2 2 0 18 19 2 0 5 10 2 0 19 20 1 0 4 5 1 0 20 21 2 0 21 16 1 0 7 11 2 0 19 22 1 0 22 23 1 0 6 12 1 0 23 24 2 0 2 1 2 0 24 25 1 0 4 13 1 1 25 26 2 0 4 9 1 0 26 27 1 0 13 14 1 0 27 28 2 0 28 23 1 0 M END > 8.02227639471115 > 5.79588001734407 $$$$ 11280715152D 1 1.00000 0.00000 0 33 35 0 1 0 999 V2000 2.2917 -4.2542 0.0000 S 0 0 3 0 0 0 0 0 0 2.6750 -2.0542 0.0000 C 0 0 2 0 0 0 0 0 0 3.3875 -1.6417 0.0000 C 0 0 2 0 0 0 0 0 0 4.1000 -2.0542 0.0000 C 0 0 0 0 0 0 0 0 0 2.0875 -3.4667 0.0000 N 0 0 3 0 0 0 0 0 0 2.6750 -2.8792 0.0000 C 0 0 0 0 0 0 0 0 0 4.8167 -1.6417 0.0000 N 0 0 3 0 0 0 0 0 0 1.9542 -1.6417 0.0000 C 0 0 0 0 0 0 0 0 0 2.5042 -5.0542 0.0000 C 0 0 0 0 0 0 0 0 0 3.0917 -4.0417 0.0000 O 0 0 0 0 0 0 0 0 0 1.4917 -4.4750 0.0000 O 0 0 0 0 0 0 0 0 0 3.3875 -0.8167 0.0000 C 0 0 0 0 0 0 0 0 0 4.1000 -2.8792 0.0000 O 0 0 0 0 0 0 0 0 0 1.9542 -0.8167 0.0000 O 0 0 0 0 0 0 0 0 0 1.2417 -2.0542 0.0000 N 0 0 0 0 0 0 0 0 0 1.9292 -5.6417 0.0000 C 0 0 0 0 0 0 0 0 0 3.3042 -5.2625 0.0000 C 0 0 0 0 0 0 0 0 0 2.9417 -6.6417 0.0000 C 0 0 0 0 0 0 0 0 0 3.5250 -6.0542 0.0000 C 0 0 0 0 0 0 0 0 0 2.1417 -6.4292 0.0000 C 0 0 0 0 0 0 0 0 0 3.1625 -7.4417 0.0000 Cl 0 0 0 0 0 0 0 0 0 0.5292 -1.6417 0.0000 O 0 0 0 0 0 0 0 0 0 1.2625 -3.4625 0.0000 C 0 0 0 0 0 0 0 0 0 5.5250 -2.0542 0.0000 C 0 0 0 0 0 0 0 0 0 4.8042 -0.8167 0.0000 C 0 0 0 0 0 0 0 0 0 3.9667 -0.2292 0.0000 C 0 0 3 0 0 0 0 0 0 4.7875 -0.3542 0.0000 C 0 0 0 0 0 0 0 0 0 3.8292 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 5.5292 -0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 6.2375 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 4.5667 0.9625 0.0000 C 0 0 0 0 0 0 0 0 0 5.1542 0.3833 0.0000 C 0 0 0 0 0 0 0 0 0 6.2417 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 2 6 1 6 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 1 1 0 0 0 6 5 1 0 0 0 7 4 1 0 0 0 8 2 1 0 0 0 9 1 1 0 0 0 10 1 2 0 0 0 11 1 2 0 0 0 3 12 1 1 0 0 13 4 2 0 0 0 14 8 2 0 0 0 15 8 1 0 0 0 16 9 2 0 0 0 17 9 1 0 0 0 18 19 1 0 0 0 19 17 2 0 0 0 20 16 1 0 0 0 21 18 1 0 0 0 22 15 1 0 0 0 23 5 1 0 0 0 24 7 1 0 0 0 25 7 1 0 0 0 26 12 1 0 0 0 27 26 1 0 0 0 28 26 1 0 0 0 29 25 1 0 0 0 30 24 1 0 0 0 31 28 1 0 0 0 32 27 1 0 0 0 33 29 1 0 0 0 20 18 2 0 0 0 32 31 1 0 0 0 30 33 1 0 0 0 M END > 8 > 8.04575749056067 $$$$ SciTegic11161115462D 34 36 0 0 0 0 999 V2000 8.5155 1.8080 0.0000 C 0 0 7.7993 1.3966 0.0000 C 0 0 7.7975 0.5752 0.0000 C 0 0 8.5102 0.1590 0.0000 N 0 0 9.2264 0.5704 0.0000 C 0 0 9.2299 1.3981 0.0000 C 0 0 9.2298 2.2207 0.0000 S 0 0 9.6422 2.9353 0.0000 O 0 0 8.8172 2.9351 0.0000 O 0 0 9.9444 1.8084 0.0000 C 0 0 9.9432 0.9810 0.0000 C 0 0 10.6581 0.5681 0.0000 C 0 0 11.3745 0.9815 0.0000 C 0 0 11.3716 1.8120 0.0000 C 0 0 10.6563 2.2211 0.0000 C 0 0 12.0896 0.5701 0.0000 O 0 0 7.8009 2.2204 0.0000 C 0 0 7.8007 3.0454 0.0000 O 0 0 7.0865 1.8077 0.0000 N 0 0 6.3719 2.2200 0.0000 O 0 0 12.8034 0.9837 0.0000 C 0 0 13.5152 0.5719 0.0000 C 0 0 13.5075 2.2219 0.0000 C 0 0 12.7972 1.8066 0.0000 C 0 0 14.2247 1.8126 0.0000 C 0 0 14.2314 0.9888 0.0000 C 0 0 14.9365 2.2298 0.0000 O 0 0 8.5073 -0.6660 0.0000 C 0 0 15.6536 1.8220 0.0000 C 0 0 16.3654 2.2392 0.0000 F 0 0 15.6590 0.9970 0.0000 F 0 0 16.3625 1.4125 0.0000 F 0 0 7.7914 -1.0760 0.0000 C 0 0 7.0784 -0.6609 0.0000 O 0 0 1 2 1 0 1 17 1 0 1 6 1 0 17 18 2 0 2 3 1 0 17 19 1 0 3 4 1 0 19 20 1 0 10 11 2 0 16 21 1 0 4 5 1 0 21 22 2 0 22 26 1 0 11 12 1 0 25 23 1 0 5 6 1 0 23 24 2 0 24 21 1 0 25 26 2 0 12 13 2 0 8 7 2 0 13 14 1 0 25 27 1 0 7 9 2 0 4 28 1 0 14 15 2 0 27 29 1 0 15 10 1 0 29 30 1 0 29 31 1 0 13 16 1 0 29 32 1 0 10 7 1 0 28 33 1 0 7 1 1 0 33 34 1 0 M END > 10 > 5.34678748622466 $$$$ 11280715482D 1 1.00000 0.00000 0 28 29 0 0 0 999 V2000 3.3667 -1.1125 0.0000 S 0 0 3 0 0 0 0 0 0 2.5417 -1.1542 0.0000 N 0 0 3 0 0 0 0 0 0 2.1000 -0.4542 0.0000 C 0 0 3 0 0 0 0 0 0 0.9000 -1.2250 0.0000 N 0 0 3 0 0 0 0 0 0 2.4792 0.2750 0.0000 C 0 0 0 0 0 0 0 0 0 1.2792 -0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0.0750 -1.2625 0.0000 C 0 0 0 0 0 0 0 0 0 2.1667 -1.8792 0.0000 C 0 0 0 0 0 0 0 0 0 4.1917 -1.0750 0.0000 C 0 0 0 0 0 0 0 0 0 3.3667 -0.2875 0.0000 O 0 0 0 0 0 0 0 0 0 3.3667 -1.9375 0.0000 O 0 0 0 0 0 0 0 0 0 6.7375 -2.3792 0.0000 C 0 0 0 0 0 0 0 0 0 6.3167 -3.0917 0.0000 C 0 0 0 0 0 0 0 0 0 1.3417 -1.9167 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3083 -1.9917 0.0000 O 0 0 0 0 0 0 0 0 0 3.2750 0.4958 0.0000 O 0 0 0 0 0 0 0 0 0 1.9625 0.9208 0.0000 N 0 0 0 0 0 0 0 0 0 4.5750 -0.3417 0.0000 C 0 0 0 0 0 0 0 0 0 4.6375 -1.7667 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3708 -0.5667 0.0000 O 0 0 0 0 0 0 0 0 0 5.8417 -0.9917 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 5.4625 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 2.2542 1.6875 0.0000 O 0 0 0 0 0 0 0 0 0 7.1167 -1.6417 0.0000 C 0 0 0 0 0 0 0 0 0 6.6667 -0.9542 0.0000 O 0 0 0 0 0 0 0 0 0 5.9042 -3.8042 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1958 -0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 14 1 0 0 0 5 3 1 0 0 0 6 3 1 0 0 0 7 4 1 0 0 0 8 2 1 0 0 0 9 1 1 0 0 0 10 1 2 0 0 0 11 1 2 0 0 0 12 25 1 0 0 0 13 12 3 0 0 0 14 8 1 0 0 0 15 7 2 0 0 0 16 5 2 0 0 0 17 5 1 0 0 0 18 9 2 0 0 0 19 9 1 0 0 0 20 7 1 0 0 0 21 23 1 0 0 0 22 18 1 0 0 0 23 19 2 0 0 0 24 17 1 0 0 0 25 26 1 0 0 0 26 21 1 0 0 0 27 13 1 0 0 0 28 20 1 0 0 0 22 21 2 0 0 0 6 4 1 0 0 0 M END > 8.04575749056067 > 6.69680394257951 $$$$ 11280715332D 1 1.00000 0.00000 0 24 25 0 1 0 999 V2000 5.6625 -3.8167 0.0000 S 0 0 3 0 0 0 0 0 0 5.9500 -4.6000 0.0000 N 0 0 3 0 0 0 0 0 0 5.4167 -5.2292 0.0000 C 0 0 1 0 0 0 0 0 0 4.5917 -5.1875 0.0000 C 0 0 0 0 0 0 0 0 0 6.4417 -3.5292 0.0000 C 0 0 0 0 0 0 0 0 0 6.7125 -4.9042 0.0000 C 0 0 0 0 0 0 0 0 0 6.6542 -5.7292 0.0000 C 0 0 0 0 0 0 0 0 0 5.3750 -3.0417 0.0000 O 0 0 0 0 0 0 0 0 0 4.8792 -4.1042 0.0000 O 0 0 0 0 0 0 0 0 0 5.8542 -5.9250 0.0000 C 0 0 0 0 0 0 0 0 0 4.2167 -4.4542 0.0000 O 0 0 0 0 0 0 0 0 0 4.1417 -5.8792 0.0000 N 0 0 0 0 0 0 0 0 0 7.2792 -6.2667 0.0000 C 0 0 0 0 0 0 0 0 0 7.0667 -4.0542 0.0000 C 0 0 0 0 0 0 0 0 0 6.5792 -2.7167 0.0000 C 0 0 0 0 0 0 0 0 0 7.9875 -2.9667 0.0000 C 0 0 0 0 0 0 0 0 0 7.3542 -2.4375 0.0000 C 0 0 0 0 0 0 0 0 0 7.8417 -3.7750 0.0000 C 0 0 0 0 0 0 0 0 0 3.3167 -5.8375 0.0000 O 0 0 0 0 0 0 0 0 0 8.7667 -2.6792 0.0000 O 0 0 0 0 0 0 0 0 0 9.4042 -3.2167 0.0000 C 0 0 0 0 0 0 0 0 0 10.1792 -2.9375 0.0000 C 0 0 0 0 0 0 0 0 0 10.8042 -3.4667 0.0000 C 0 0 0 0 0 0 0 0 0 11.5792 -3.1917 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 1 1 0 0 0 6 2 1 0 0 0 7 6 1 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 3 10 1 6 0 0 11 4 2 0 0 0 12 4 1 0 0 0 13 7 2 0 0 0 14 5 2 0 0 0 15 5 1 0 0 0 16 17 1 0 0 0 17 15 2 0 0 0 18 14 1 0 0 0 19 12 1 0 0 0 20 16 1 0 0 0 21 20 1 0 0 0 22 21 1 0 0 0 23 22 1 0 0 0 24 23 1 0 0 0 16 18 2 0 0 0 7 10 1 0 0 0 M END > 9.15490195998574 > 6.48280410205003 $$$$ 11280715292D 1 1.00000 0.00000 0 27 28 0 1 0 999 V2000 4.8042 -6.7375 0.0000 S 0 0 3 0 0 0 0 0 0 4.8042 -7.5625 0.0000 N 0 0 3 0 0 0 0 0 0 4.0542 -7.9125 0.0000 C 0 0 1 0 0 0 0 0 0 3.4167 -7.3917 0.0000 C 0 0 0 0 0 0 0 0 0 3.8542 -8.7167 0.0000 C 0 0 3 0 0 0 0 0 0 4.8042 -5.9125 0.0000 C 0 0 0 0 0 0 0 0 0 3.9792 -6.7292 0.0000 O 0 0 0 0 0 0 0 0 0 5.6292 -6.7375 0.0000 O 0 0 0 0 0 0 0 0 0 4.4125 -9.3917 0.0000 S 0 0 0 0 0 0 0 0 0 3.4125 -6.5667 0.0000 O 0 0 0 0 0 0 0 0 0 2.6667 -7.7417 0.0000 N 0 0 0 0 0 0 0 0 0 5.5417 -7.9292 0.0000 C 0 0 0 0 0 0 0 0 0 5.5250 -5.4917 0.0000 C 0 0 0 0 0 0 0 0 0 4.0875 -5.5042 0.0000 C 0 0 0 0 0 0 0 0 0 4.0792 -4.6792 0.0000 C 0 0 0 0 0 0 0 0 0 5.5125 -4.6667 0.0000 C 0 0 0 0 0 0 0 0 0 4.7917 -4.2542 0.0000 C 0 0 0 0 0 0 0 0 0 1.9875 -7.2792 0.0000 O 0 0 0 0 0 0 0 0 0 5.7167 -8.7375 0.0000 C 0 0 0 0 0 0 0 0 0 5.2000 -9.3875 0.0000 C 0 0 0 0 0 0 0 0 0 3.2750 -9.3000 0.0000 C 0 0 0 0 0 0 0 0 0 3.0542 -8.5000 0.0000 C 0 0 0 0 0 0 0 0 0 4.7875 -3.4292 0.0000 C 0 0 0 0 0 0 0 0 0 5.4917 -3.0167 0.0000 C 0 0 0 0 0 0 0 0 0 6.2000 -1.7667 0.0000 C 0 0 0 0 0 0 0 0 0 5.4917 -2.1917 0.0000 C 0 0 0 0 0 0 0 0 0 6.1917 -0.9417 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 3 4 1 6 0 0 5 3 1 0 0 0 6 1 1 0 0 0 7 1 2 0 0 0 8 1 2 0 0 0 9 5 1 0 0 0 10 4 2 0 0 0 11 4 1 0 0 0 12 2 1 0 0 0 13 6 2 0 0 0 14 6 1 0 0 0 15 14 2 0 0 0 16 13 1 0 0 0 17 15 1 0 0 0 18 11 1 0 0 0 19 12 1 0 0 0 20 19 1 0 0 0 21 5 1 0 0 0 22 5 1 0 0 0 23 17 1 0 0 0 24 23 1 0 0 0 25 26 1 0 0 0 26 24 1 0 0 0 27 25 1 0 0 0 17 16 2 0 0 0 20 9 1 0 0 0 M END > 8.67778070526608 > 7.21467016498923 $$$$ 11280715192D 1 1.00000 0.00000 0 33 35 0 1 0 999 V2000 0.2000 -1.9667 0.0000 S 0 0 3 0 0 0 0 0 0 0.1917 -1.1417 0.0000 N 0 0 3 0 0 0 0 0 0 0.9042 -0.7250 0.0000 C 0 0 2 0 0 0 0 0 0 0.1792 0.5125 0.0000 N 0 0 3 0 0 0 0 0 0 0.9042 0.1000 0.0000 C 0 0 1 0 0 0 0 0 0 0.1792 1.3375 0.0000 C 0 0 0 0 0 0 0 0 0 1.6250 -1.1292 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5333 -0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5333 0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0.2042 -2.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0.9167 -1.5542 0.0000 O 0 0 0 0 0 0 0 0 0 -0.5125 -1.5625 0.0000 O 0 0 0 0 0 0 0 0 0 0.8875 1.7583 0.0000 O 0 0 0 0 0 0 0 0 0 1.6375 -1.9542 0.0000 O 0 0 0 0 0 0 0 0 0 2.3417 -0.7125 0.0000 N 0 0 0 0 0 0 0 0 0 0.9167 -6.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0.9167 -5.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0.9167 -3.2042 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5083 -3.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0.2042 -6.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0.2042 -5.2667 0.0000 O 0 0 0 0 0 0 0 0 0 -0.5375 1.7458 0.0000 O 0 0 0 0 0 0 0 0 0 0.2042 -4.4417 0.0000 C 0 0 0 0 0 0 0 0 0 1.6167 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5083 -4.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0.9167 -4.0375 0.0000 C 0 0 0 0 0 0 0 0 0 3.0625 -1.1167 0.0000 O 0 0 0 0 0 0 0 0 0 1.6292 -6.9167 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5083 -6.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0.2042 -7.7417 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5458 2.5708 0.0000 C 0 0 0 0 0 0 0 0 0 1.6292 -7.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0.9167 -8.1542 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 9 1 0 0 0 5 3 1 0 0 0 6 4 1 0 0 0 3 7 1 6 0 0 8 2 1 0 0 0 9 8 1 0 0 0 10 1 1 0 0 0 11 1 2 0 0 0 12 1 2 0 0 0 13 6 2 0 0 0 14 7 2 0 0 0 15 7 1 0 0 0 16 17 1 0 0 0 17 21 1 0 0 0 18 10 2 0 0 0 19 10 1 0 0 0 20 16 2 0 0 0 21 23 1 0 0 0 22 6 1 0 0 0 23 25 1 0 0 0 5 24 1 1 0 0 25 19 2 0 0 0 26 18 1 0 0 0 27 15 1 0 0 0 28 16 1 0 0 0 29 20 1 0 0 0 30 20 1 0 0 0 31 22 1 0 0 0 32 28 2 0 0 0 33 32 1 0 0 0 23 26 2 0 0 0 5 4 1 0 0 0 30 33 2 0 0 0 M END > 8.39794000867204 > 5.82390874094432 $$$$ 11280714452D 1 1.00000 0.00000 0 31 33 0 0 0 999 V2000 4.6000 -2.6375 0.0000 S 0 0 3 0 0 0 0 0 0 4.6000 -3.4625 0.0000 N 0 0 0 0 0 0 0 0 0 3.8792 -3.8750 0.0000 C 0 0 3 0 0 0 0 0 0 3.1667 -3.4625 0.0000 C 0 0 0 0 0 0 0 0 0 4.6000 -5.1125 0.0000 C 0 0 0 0 0 0 0 0 0 5.3125 -2.2250 0.0000 C 0 0 0 0 0 0 0 0 0 5.3125 -5.5167 0.0000 C 0 0 0 0 0 0 0 0 0 4.3792 -1.8292 0.0000 O 0 0 0 0 0 0 0 0 0 3.8000 -2.8417 0.0000 O 0 0 0 0 0 0 0 0 0 6.7417 -1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 7.4542 -0.9875 0.0000 C 0 0 0 0 0 0 0 0 0 3.1667 -2.6375 0.0000 O 0 0 0 0 0 0 0 0 0 5.3125 -1.4042 0.0000 C 0 0 0 0 0 0 0 0 0 6.0292 -2.6375 0.0000 C 0 0 0 0 0 0 0 0 0 6.7417 -2.2250 0.0000 C 0 0 0 0 0 0 0 0 0 6.0250 -0.9875 0.0000 C 0 0 0 0 0 0 0 0 0 8.1667 -1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 7.4542 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 3.8792 -4.7000 0.0000 C 0 0 0 0 0 0 0 0 0 6.0250 -5.9292 0.0000 C 0 0 0 0 0 0 0 0 0 2.4542 -3.8750 0.0000 O 0 0 0 0 0 0 0 0 0 8.8792 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 8.1625 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 8.8792 -0.9875 0.0000 C 0 0 0 0 0 0 0 0 0 9.5917 0.2583 0.0000 O 0 0 0 0 0 0 0 0 0 6.0167 -6.7542 0.0000 C 0 0 0 0 0 0 0 0 0 6.7292 -5.5167 0.0000 C 0 0 0 0 0 0 0 0 0 10.3125 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 6.7292 -7.1667 0.0000 C 0 0 0 0 0 0 0 0 0 7.4417 -5.9292 0.0000 C 0 0 0 0 0 0 0 0 0 7.4417 -6.7542 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 19 1 0 0 0 6 1 1 0 0 0 7 5 3 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 15 2 0 0 0 11 10 1 0 0 0 12 4 2 0 0 0 13 6 1 0 0 0 14 6 2 0 0 0 15 14 1 0 0 0 16 13 2 0 0 0 17 11 2 0 0 0 18 11 1 0 0 0 19 3 1 0 0 0 20 7 1 0 0 0 21 4 1 0 0 0 22 23 1 0 0 0 23 18 2 0 0 0 24 17 1 0 0 0 25 22 1 0 0 0 26 20 2 0 0 0 27 20 1 0 0 0 28 25 1 0 0 0 29 26 1 0 0 0 30 27 2 0 0 0 31 30 1 0 0 0 16 10 1 0 0 0 24 22 2 0 0 0 29 31 2 0 0 0 M END > 7.68 > 5.70774392864352 $$$$ 11280715292D 1 1.00000 0.00000 0 26 27 0 1 0 999 V2000 4.5875 -2.9000 0.0000 S 0 0 3 0 0 0 0 0 0 4.5875 -3.4917 0.0000 N 0 0 3 0 0 0 0 0 0 4.5292 -4.8500 0.0000 S 0 0 3 0 0 0 0 0 0 4.1000 -3.8500 0.0000 C 0 0 2 0 0 0 0 0 0 4.0750 -4.4542 0.0000 C 0 0 3 0 0 0 0 0 0 3.5292 -3.6667 0.0000 C 0 0 0 0 0 0 0 0 0 4.5792 -2.3000 0.0000 C 0 0 0 0 0 0 0 0 0 5.1792 -2.9000 0.0000 O 0 0 0 0 0 0 0 0 0 3.9792 -2.8917 0.0000 O 0 0 0 0 0 0 0 0 0 3.8792 -5.3000 0.0000 O 0 0 0 0 0 0 0 0 0 4.6917 -5.5792 0.0000 O 0 0 0 0 0 0 0 0 0 3.4042 -3.0792 0.0000 O 0 0 0 0 0 0 0 0 0 3.0792 -4.0667 0.0000 N 0 0 0 0 0 0 0 0 0 5.1250 -4.7375 0.0000 C 0 0 0 0 0 0 0 0 0 5.1667 -3.6542 0.0000 C 0 0 0 0 0 0 0 0 0 4.0542 -2.0042 0.0000 C 0 0 0 0 0 0 0 0 0 5.0917 -1.9917 0.0000 C 0 0 0 0 0 0 0 0 0 3.5542 -4.1542 0.0000 C 0 0 0 0 0 0 0 0 0 3.6500 -4.8750 0.0000 C 0 0 0 0 0 0 0 0 0 5.4125 -4.2042 0.0000 C 0 0 0 0 0 0 0 0 0 4.5625 -1.1000 0.0000 C 0 0 0 0 0 0 0 0 0 4.0417 -1.4042 0.0000 C 0 0 0 0 0 0 0 0 0 5.0875 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 2.5042 -3.8792 0.0000 O 0 0 0 0 0 0 0 0 0 4.5542 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 5.0667 -0.1917 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 5 1 0 0 0 4 2 1 0 0 0 5 4 1 0 0 0 4 6 1 6 0 0 7 1 1 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 3 2 0 0 0 11 3 2 0 0 0 12 6 2 0 0 0 13 6 1 0 0 0 14 20 1 0 0 0 15 2 1 0 0 0 16 7 1 0 0 0 17 7 2 0 0 0 18 5 1 0 0 0 19 5 1 0 0 0 20 15 1 0 0 0 21 23 2 0 0 0 22 16 2 0 0 0 23 17 1 0 0 0 24 13 1 0 0 0 25 21 1 0 0 0 26 25 1 0 0 0 22 21 1 0 0 0 14 3 1 0 0 0 M END > 8.67778070526608 > 8.72124639904717 $$$$ 11280715082D 1 1.00000 0.00000 0 32 34 0 0 0 999 V2000 9.0500 -11.4542 0.0000 C 0 0 3 0 0 0 0 0 0 8.3375 -11.8750 0.0000 S 0 0 3 0 0 0 0 0 0 9.7667 -11.8542 0.0000 C 0 0 0 0 0 0 0 0 0 8.3417 -11.0500 0.0000 C 0 0 0 0 0 0 0 0 0 9.7625 -11.0500 0.0000 C 0 0 0 0 0 0 0 0 0 7.6167 -11.4625 0.0000 C 0 0 0 0 0 0 0 0 0 9.0500 -9.8042 0.0000 N 0 0 3 0 0 0 0 0 0 8.9167 -12.4542 0.0000 O 0 0 0 0 0 0 0 0 0 7.7500 -12.4542 0.0000 O 0 0 0 0 0 0 0 0 0 9.7792 -12.6792 0.0000 O 0 0 0 0 0 0 0 0 0 10.4792 -11.4375 0.0000 N 0 0 0 0 0 0 0 0 0 8.3417 -10.2250 0.0000 C 0 0 0 0 0 0 0 0 0 9.7625 -10.2250 0.0000 C 0 0 0 0 0 0 0 0 0 6.9042 -11.8750 0.0000 C 0 0 0 0 0 0 0 0 0 7.6167 -10.6292 0.0000 C 0 0 0 0 0 0 0 0 0 9.0500 -8.9792 0.0000 C 0 0 0 0 0 0 0 0 0 5.4750 -10.2167 0.0000 O 0 0 0 0 0 0 0 0 0 6.1917 -10.6375 0.0000 C 0 0 0 0 0 0 0 0 0 6.1917 -11.4625 0.0000 C 0 0 0 0 0 0 0 0 0 6.9042 -10.2167 0.0000 C 0 0 0 0 0 0 0 0 0 11.2000 -11.8375 0.0000 O 0 0 0 0 0 0 0 0 0 9.7667 -8.5667 0.0000 C 0 0 0 0 0 0 0 0 0 4.7625 -10.6292 0.0000 C 0 0 3 0 0 0 0 0 0 10.4792 -8.9875 0.0000 C 0 0 0 0 0 0 0 0 0 9.7625 -7.7500 0.0000 C 0 0 0 0 0 0 0 0 0 4.0417 -10.2167 0.0000 C 0 0 0 0 0 0 0 0 0 4.7625 -11.4542 0.0000 C 0 0 0 0 0 0 0 0 0 4.0417 -11.8667 0.0000 C 0 0 0 0 0 0 0 0 0 3.3292 -10.6292 0.0000 C 0 0 0 0 0 0 0 0 0 10.4750 -7.3375 0.0000 C 0 0 0 0 0 0 0 0 0 11.1917 -8.5750 0.0000 C 0 0 0 0 0 0 0 0 0 11.1917 -7.7417 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 1 1 0 0 0 5 1 1 0 0 0 6 2 1 0 0 0 7 13 1 0 0 0 8 2 2 0 0 0 9 2 2 0 0 0 10 3 2 0 0 0 11 3 1 0 0 0 12 4 1 0 0 0 13 5 1 0 0 0 14 6 2 0 0 0 15 6 1 0 0 0 16 7 1 0 0 0 17 18 1 0 0 0 18 20 1 0 0 0 19 14 1 0 0 0 20 15 2 0 0 0 21 11 1 0 0 0 22 16 1 0 0 0 23 17 1 0 0 0 24 22 2 0 0 0 25 22 1 0 0 0 26 23 1 0 0 0 27 23 1 0 0 0 28 27 1 0 0 0 29 26 1 0 0 0 30 25 2 0 0 0 31 24 1 0 0 0 32 30 1 0 0 0 12 7 1 0 0 0 18 19 2 0 0 0 31 32 2 0 0 0 M END > 8.30102999566398 > 5.5003129173816 $$$$ 11280715072D 1 1.00000 0.00000 0 34 35 0 1 0 999 V2000 -1.9708 -0.7625 0.0000 N 0 0 3 0 0 0 0 0 0 -2.7875 -0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 -1.6458 -1.5167 0.0000 C 0 0 0 0 0 0 0 0 0 -1.2583 0.4750 0.0000 C 0 0 2 0 0 0 0 0 0 -1.2583 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0.1667 0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 -2.9625 -1.6417 0.0000 C 0 0 0 0 0 0 0 0 0 -2.2583 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0.8875 0.8875 0.0000 N 0 0 0 0 0 0 0 0 0 -0.5458 0.8875 0.0000 C 0 0 2 0 0 0 0 0 0 1.6000 0.4750 0.0000 C 0 0 1 0 0 0 0 0 0 -1.9708 0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 2.3167 0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8375 -1.6917 0.0000 O 0 0 0 0 0 0 0 0 0 -3.3375 -0.2292 0.0000 O 0 0 0 0 0 0 0 0 0 1.6000 -0.3500 0.0000 C 0 0 3 0 0 0 0 0 0 0.1667 -0.3500 0.0000 O 0 0 0 0 0 0 0 0 0 -0.5458 1.7125 0.0000 C 0 0 0 0 0 0 0 0 0 -1.9708 1.7125 0.0000 O 0 0 0 0 0 0 0 0 0 3.0292 0.4750 0.0000 O 0 0 0 0 0 0 0 0 0 -2.6833 0.4750 0.0000 N 0 0 0 0 0 0 0 0 0 2.3167 1.7125 0.0000 N 0 0 0 0 0 0 0 0 0 -2.2708 -2.8792 0.0000 C 0 0 0 0 0 0 0 0 0 -3.6833 -2.0417 0.0000 C 0 0 0 0 0 0 0 0 0 -3.4833 0.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0.1667 2.1250 0.0000 C 0 0 3 0 0 0 0 0 0 1.5125 -1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0.8500 -0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 2.4542 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 3.0292 2.1250 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0458 2.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0.8792 2.5458 0.0000 C 0 0 0 0 0 0 0 0 0 -3.6875 -2.8667 0.0000 C 0 0 0 0 0 0 0 0 0 -2.9750 -3.2792 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 5 1 1 0 0 5 1 1 0 0 0 6 10 1 0 0 0 7 2 1 0 0 0 8 3 1 0 0 0 9 6 1 0 0 0 10 4 1 0 0 0 11 9 1 0 0 0 12 4 1 0 0 0 13 11 1 0 0 0 14 3 2 0 0 0 15 2 2 0 0 0 11 16 1 1 0 0 17 6 2 0 0 0 10 18 1 1 0 0 19 12 2 0 0 0 20 13 2 0 0 0 21 12 1 0 0 0 22 13 1 0 0 0 23 8 1 0 0 0 24 7 1 0 0 0 25 21 1 0 0 0 26 18 1 0 0 0 27 16 1 0 0 0 28 16 1 0 0 0 29 16 1 0 0 0 30 22 1 0 0 0 31 26 1 0 0 0 32 26 1 0 0 0 33 24 2 0 0 0 34 23 2 0 0 0 7 8 2 0 0 0 34 33 1 0 0 0 M END > 9.30102999566398 > 9.30102999566398 $$$$ 11280715242D 1 1.00000 0.00000 0 35 38 0 0 0 999 V2000 4.6167 -1.2875 0.0000 S 0 0 3 0 0 0 0 0 0 4.6167 -1.8875 0.0000 N 0 0 3 0 0 0 0 0 0 4.1042 -2.1875 0.0000 C 0 0 3 0 0 0 0 0 0 4.6167 -3.0875 0.0000 N 0 0 3 0 0 0 0 0 0 4.1042 -2.7875 0.0000 C 0 0 0 0 0 0 0 0 0 4.6167 -3.6875 0.0000 C 0 0 0 0 0 0 0 0 0 3.5792 -1.8875 0.0000 C 0 0 0 0 0 0 0 0 0 5.1375 -2.1875 0.0000 C 0 0 0 0 0 0 0 0 0 5.1375 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 4.0667 -0.9000 0.0000 O 0 0 0 0 0 0 0 0 0 5.3292 -1.7000 0.0000 O 0 0 0 0 0 0 0 0 0 5.1375 -2.7875 0.0000 C 0 0 0 0 0 0 0 0 0 5.1375 -3.9875 0.0000 C 0 0 0 0 0 0 0 0 0 4.0917 -3.9792 0.0000 O 0 0 0 0 0 0 0 0 0 3.5792 -1.2875 0.0000 O 0 0 0 0 0 0 0 0 0 6.1667 -4.5875 0.0000 C 0 0 0 0 0 0 0 0 0 3.0625 -2.1875 0.0000 N 0 0 0 0 0 0 0 0 0 5.6542 -3.6875 0.0000 C 0 0 0 0 0 0 0 0 0 5.1292 -4.5875 0.0000 C 0 0 0 0 0 0 0 0 0 5.6500 -4.8875 0.0000 C 0 0 0 0 0 0 0 0 0 6.1667 -3.9792 0.0000 C 0 0 0 0 0 0 0 0 0 5.1292 -0.3875 0.0000 C 0 0 0 0 0 0 0 0 0 5.6542 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 6.6917 -4.8875 0.0000 C 0 0 0 0 0 0 0 0 0 6.1667 -0.3792 0.0000 C 0 0 0 0 0 0 0 0 0 5.6500 -0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 6.1667 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 2.5417 -1.8875 0.0000 O 0 0 0 0 0 0 0 0 0 6.6917 -0.0792 0.0000 O 0 0 0 0 0 0 0 0 0 7.2042 -4.5875 0.0000 C 0 0 0 0 0 0 0 0 0 6.6875 -5.4875 0.0000 C 0 0 0 0 0 0 0 0 0 7.2125 -0.3792 0.0000 C 0 0 0 0 0 0 0 0 0 7.2042 -5.7875 0.0000 C 0 0 0 0 0 0 0 0 0 7.7250 -4.8792 0.0000 C 0 0 0 0 0 0 0 0 0 7.7292 -5.4875 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 12 1 0 0 0 5 3 1 0 0 0 6 4 1 0 0 0 7 3 1 0 0 0 8 2 1 0 0 0 9 1 1 0 0 0 10 1 2 0 0 0 11 1 2 0 0 0 12 8 1 0 0 0 13 6 1 0 0 0 14 6 2 0 0 0 15 7 2 0 0 0 16 20 2 0 0 0 17 7 1 0 0 0 18 13 1 0 0 0 19 13 2 0 0 0 20 19 1 0 0 0 21 18 2 0 0 0 22 9 1 0 0 0 23 9 2 0 0 0 24 16 1 0 0 0 25 27 2 0 0 0 26 22 2 0 0 0 27 23 1 0 0 0 28 17 1 0 0 0 29 25 1 0 0 0 30 24 1 0 0 0 31 24 2 0 0 0 32 29 1 0 0 0 33 31 1 0 0 0 34 30 2 0 0 0 35 33 2 0 0 0 25 26 1 0 0 0 4 5 1 0 0 0 16 21 1 0 0 0 35 34 1 0 0 0 M END > 9.04575749056067 > 7.36653154442041 $$$$ 11280715312D 1 1.00000 0.00000 0 26 28 0 1 0 999 V2000 3.2167 -1.6167 0.0000 N 0 0 3 0 0 0 0 0 0 3.2167 -1.0167 0.0000 S 0 0 3 0 0 0 0 0 0 2.7375 -1.9667 0.0000 C 0 0 2 0 0 0 0 0 0 3.7042 -1.9667 0.0000 C 0 0 0 0 0 0 0 0 0 2.9167 -2.5417 0.0000 C 0 0 0 0 0 0 0 0 0 2.1667 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 3.5167 -2.5417 0.0000 C 0 0 2 0 0 0 0 0 0 3.8750 -3.0250 0.0000 N 0 0 3 0 0 0 0 0 0 3.7417 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 3.2125 -0.4167 0.0000 O 0 0 0 0 0 0 0 0 0 2.6375 -0.8542 0.0000 O 0 0 0 0 0 0 0 0 0 2.0417 -1.1917 0.0000 O 0 0 0 0 0 0 0 0 0 1.7167 -2.1792 0.0000 N 0 0 0 0 0 0 0 0 0 3.7417 -0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 4.2625 -1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 4.7792 -0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 4.7792 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 4.2542 0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 1.1500 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 3.6292 -3.5667 0.0000 C 0 0 0 0 0 0 0 0 0 4.4667 -2.9542 0.0000 C 0 0 0 0 0 0 0 0 0 5.3000 0.1833 0.0000 O 0 0 0 0 0 0 0 0 0 5.8167 -0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 4.8167 -3.4417 0.0000 C 0 0 0 0 0 0 0 0 0 3.9792 -4.0542 0.0000 C 0 0 0 0 0 0 0 0 0 4.5750 -3.9917 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 1 1 0 0 0 3 5 1 6 0 0 6 3 1 0 0 0 7 4 1 0 0 0 7 8 1 1 0 0 9 2 1 0 0 0 10 2 2 0 0 0 11 2 2 0 0 0 12 6 2 0 0 0 13 6 1 0 0 0 14 9 1 0 0 0 15 9 2 0 0 0 16 17 2 0 0 0 17 15 1 0 0 0 18 14 2 0 0 0 19 13 1 0 0 0 20 8 1 0 0 0 21 8 1 0 0 0 22 16 1 0 0 0 23 22 1 0 0 0 24 21 1 0 0 0 25 20 1 0 0 0 26 24 1 0 0 0 7 5 1 0 0 0 16 18 1 0 0 0 26 25 1 0 0 0 M END > 9 > 6.55284196865778 $$$$ 11280715082D 1 1.00000 0.00000 0 24 25 0 0 0 999 V2000 4.0417 -2.9667 0.0000 S 0 0 3 0 0 0 0 0 0 4.7542 -2.5542 0.0000 C 0 0 3 0 0 0 0 0 0 5.4667 -2.9542 0.0000 C 0 0 0 0 0 0 0 0 0 3.2167 -3.0042 0.0000 C 0 0 0 0 0 0 0 0 0 3.4542 -3.5542 0.0000 O 0 0 0 0 0 0 0 0 0 4.6250 -3.5542 0.0000 O 0 0 0 0 0 0 0 0 0 4.0292 -2.1542 0.0000 C 0 0 0 0 0 0 0 0 0 5.4792 -3.7792 0.0000 O 0 0 0 0 0 0 0 0 0 6.1792 -2.5417 0.0000 N 0 0 0 0 0 0 0 0 0 3.3042 -0.0917 0.0000 N 0 0 0 0 0 0 0 0 0 2.7750 -2.3042 0.0000 C 0 0 0 0 0 0 0 0 0 2.8292 -3.7292 0.0000 C 0 0 0 0 0 0 0 0 0 5.4667 -2.1375 0.0000 C 0 0 0 0 0 0 0 0 0 4.0292 -1.3250 0.0000 C 0 0 0 0 0 0 0 0 0 1.5667 -3.0667 0.0000 C 0 0 0 0 0 0 0 0 0 2.0042 -3.7667 0.0000 C 0 0 0 0 0 0 0 0 0 1.9417 -2.3417 0.0000 C 0 0 0 0 0 0 0 0 0 6.9000 -2.9417 0.0000 O 0 0 0 0 0 0 0 0 0 0.7417 -3.1042 0.0000 O 0 0 0 0 0 0 0 0 0 3.3125 -0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 4.0167 0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 4.7417 -0.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0.3542 -3.8375 0.0000 C 0 0 0 0 0 0 0 0 0 4.7417 -0.0875 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 1 1 0 0 0 5 1 2 0 0 0 6 1 2 0 0 0 7 2 1 0 0 0 8 3 2 0 0 0 9 3 1 0 0 0 10 20 2 0 0 0 11 4 2 0 0 0 12 4 1 0 0 0 13 2 1 0 0 0 14 7 1 0 0 0 15 16 1 0 0 0 16 12 2 0 0 0 17 11 1 0 0 0 18 9 1 0 0 0 19 15 1 0 0 0 20 14 1 0 0 0 21 24 2 0 0 0 22 14 2 0 0 0 23 19 1 0 0 0 24 22 1 0 0 0 15 17 2 0 0 0 21 10 1 0 0 0 M END > 7.65757731917779 > 6.58838029403677 $$$$ SciTegic08261113352D 19 19 0 0 0 0 999 V2000 0.5214 -1.7016 0.0000 S 0 0 1.2375 -2.1141 0.0000 C 0 0 1 0 0 0 1.9480 -1.7073 0.0000 C 0 0 2.6526 -2.1198 0.0000 C 0 0 0.7448 -0.5386 0.0000 O 0 0 -0.3723 -0.7964 0.0000 O 0 0 -0.2005 -2.1026 0.0000 C 0 0 2.6526 -2.9448 0.0000 O 0 0 3.3745 -1.7073 0.0000 N 0 0 4.0906 -2.1198 0.0000 O 0 0 1.2261 -2.9391 0.0000 C 0 0 -0.9109 -1.6901 0.0000 C 0 0 -0.2005 -2.9276 0.0000 C 0 0 0.5042 -3.3401 0.0000 C 0 0 0.5042 -4.1651 0.0000 C 0 0 -0.2177 -4.5776 0.0000 C 0 0 -1.6270 -2.1026 0.0000 C 0 0 -0.9052 -3.3401 0.0000 C 0 0 -1.6270 -2.9276 0.0000 C 0 0 2 1 1 0 3 2 1 0 4 3 1 0 5 1 2 0 6 1 2 0 7 1 1 0 8 4 2 0 9 4 1 0 10 9 1 0 2 11 1 1 12 7 2 0 13 7 1 0 14 11 1 0 15 14 1 0 16 15 1 0 17 12 1 0 18 13 2 0 19 18 1 0 19 17 2 0 M END > 7.74472749489669 > 6.82390874094432 $$$$ 11280714532D 1 1.00000 0.00000 0 31 33 0 0 0 999 V2000 2.5417 -1.1667 0.0000 S 0 0 3 0 0 0 0 0 0 2.5500 -2.8167 0.0000 C 0 0 0 0 0 0 0 0 0 1.8375 -2.4125 0.0000 C 0 0 0 0 0 0 0 0 0 1.8292 -1.5875 0.0000 N 0 0 3 0 0 0 0 0 0 2.5542 -3.6500 0.0000 C 0 0 0 0 0 0 0 0 0 3.8250 -3.2292 0.0000 N 0 0 0 0 0 0 0 0 0 3.3417 -3.9000 0.0000 N 0 0 3 0 0 0 0 0 0 3.3292 -2.5625 0.0000 C 0 0 0 0 0 0 0 0 0 1.1250 -2.8250 0.0000 C 0 0 0 0 0 0 0 0 0 1.8375 -4.0667 0.0000 N 0 0 0 0 0 0 0 0 0 0.4125 -2.4167 0.0000 C 0 0 0 0 0 0 0 0 0 1.1250 -3.6542 0.0000 C 0 0 0 0 0 0 0 0 0 3.2542 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 2.1250 -0.4500 0.0000 O 0 0 0 0 0 0 0 0 0 2.9500 -1.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0.4125 -1.5917 0.0000 O 0 0 0 0 0 0 0 0 0 -0.3083 -2.8292 0.0000 N 0 0 0 0 0 0 0 0 0 3.2667 0.0583 0.0000 C 0 0 0 0 0 0 0 0 0 3.9667 -1.1875 0.0000 C 0 0 0 0 0 0 0 0 0 1.1125 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 3.6000 -4.6792 0.0000 C 0 0 0 0 0 0 0 0 0 4.6917 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 3.5792 -1.7750 0.0000 C 0 0 0 0 0 0 0 0 0 4.6875 -0.7792 0.0000 C 0 0 0 0 0 0 0 0 0 3.9792 0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0208 -2.4167 0.0000 O 0 0 0 0 0 0 0 0 0 5.4042 0.4583 0.0000 O 0 0 0 0 0 0 0 0 0 6.1250 0.0583 0.0000 C 0 0 0 0 0 0 0 0 0 6.8292 0.4708 0.0000 C 0 0 0 0 0 0 0 0 0 7.5542 0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 8.2625 0.4833 0.0000 C 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 1 1 0 0 0 5 2 1 0 0 0 6 8 2 0 0 0 7 5 1 0 0 0 8 2 1 0 0 0 9 3 1 0 0 0 10 12 1 0 0 0 11 9 1 0 0 0 12 9 2 0 0 0 13 1 1 0 0 0 14 1 2 0 0 0 15 1 2 0 0 0 16 11 2 0 0 0 17 11 1 0 0 0 18 13 1 0 0 0 19 13 2 0 0 0 20 4 1 0 0 0 21 7 1 0 0 0 22 24 2 0 0 0 23 8 1 0 0 0 24 19 1 0 0 0 25 18 2 0 0 0 26 17 1 0 0 0 27 22 1 0 0 0 28 27 1 0 0 0 29 28 1 0 0 0 30 29 1 0 0 0 31 30 1 0 0 0 25 22 1 0 0 0 5 10 2 0 0 0 6 7 1 0 0 0 M END > 8.52287874528034 > 5.71624661666747 $$$$ 11280715332D 1 1.00000 0.00000 0 22 23 0 1 0 999 V2000 6.1667 -2.6292 0.0000 S 0 0 3 0 0 0 0 0 0 6.4542 -3.4042 0.0000 N 0 0 3 0 0 0 0 0 0 5.9292 -4.0417 0.0000 C 0 0 1 0 0 0 0 0 0 5.1042 -3.9917 0.0000 C 0 0 0 0 0 0 0 0 0 7.2167 -3.7167 0.0000 C 0 0 0 0 0 0 0 0 0 7.1625 -4.5417 0.0000 C 0 0 0 0 0 0 0 0 0 6.3667 -4.7292 0.0000 C 0 0 0 0 0 0 0 0 0 6.9500 -2.3417 0.0000 C 0 0 0 0 0 0 0 0 0 5.8792 -1.8500 0.0000 O 0 0 0 0 0 0 0 0 0 5.3917 -2.9167 0.0000 O 0 0 0 0 0 0 0 0 0 7.7875 -5.0792 0.0000 N 0 0 0 0 0 0 0 0 0 4.7292 -3.2625 0.0000 O 0 0 0 0 0 0 0 0 0 4.6500 -4.6917 0.0000 N 0 0 0 0 0 0 0 0 0 7.5792 -2.8667 0.0000 C 0 0 0 0 0 0 0 0 0 7.0917 -1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 8.4917 -1.7750 0.0000 C 0 0 0 0 0 0 0 0 0 8.5625 -4.8042 0.0000 O 0 0 0 0 0 0 0 0 0 7.8625 -1.2417 0.0000 C 0 0 0 0 0 0 0 0 0 8.3500 -2.5792 0.0000 C 0 0 0 0 0 0 0 0 0 3.8250 -4.6417 0.0000 O 0 0 0 0 0 0 0 0 0 9.2792 -1.4917 0.0000 O 0 0 0 0 0 0 0 0 0 9.9125 -2.0250 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 2 1 0 0 0 6 5 1 0 0 0 3 7 1 6 0 0 8 1 1 0 0 0 9 1 2 0 0 0 10 1 2 0 0 0 11 6 2 0 0 0 12 4 2 0 0 0 13 4 1 0 0 0 14 8 2 0 0 0 15 8 1 0 0 0 16 18 1 0 0 0 17 11 1 0 0 0 18 15 2 0 0 0 19 14 1 0 0 0 20 13 1 0 0 0 21 16 1 0 0 0 22 21 1 0 0 0 16 19 2 0 0 0 6 7 1 0 0 0 M END > 9.69897000433602 > 7.76955107862173 $$$$ 11280715242D 1 1.00000 0.00000 0 33 37 0 1 0 999 V2000 -1.9750 -7.6500 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3833 -8.9500 0.0000 N 0 0 3 0 0 0 0 0 0 -1.3083 -8.1292 0.0000 C 0 0 0 0 0 0 0 0 0 -2.7250 -7.9792 0.0000 C 0 0 0 0 0 0 0 0 0 -2.1333 -9.2917 0.0000 N 0 0 0 0 0 0 0 0 0 -2.8083 -8.8125 0.0000 N 0 0 0 0 0 0 0 0 0 0.7375 -9.6667 0.0000 C 0 0 2 0 0 0 0 0 0 -3.2750 -7.3750 0.0000 N 0 0 0 0 0 0 0 0 0 1.4042 -9.1875 0.0000 C 0 0 1 0 0 0 0 0 0 0.0750 -9.1792 0.0000 C 0 0 2 0 0 0 0 0 0 -2.0625 -6.8292 0.0000 N 0 0 0 0 0 0 0 0 0 -0.7125 -9.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0.7292 -10.4917 0.0000 C 0 0 0 0 0 0 0 0 0 -2.8708 -6.6625 0.0000 C 0 0 0 0 0 0 0 0 0 2.1875 -9.4500 0.0000 S 0 0 0 0 0 0 0 0 0 -0.5500 -7.7917 0.0000 O 0 0 0 0 0 0 0 0 0 1.1542 -8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0.3292 -8.3917 0.0000 C 0 0 0 0 0 0 0 0 0 4.6542 -7.2625 0.0000 C 0 0 0 0 0 0 0 0 0 4.0417 -7.8042 0.0000 C 0 0 0 0 0 0 0 0 0 1.4417 -10.9125 0.0000 O 0 0 0 0 0 0 0 0 0 2.8042 -8.9000 0.0000 C 0 0 0 0 0 0 0 0 0 5.4375 -7.5250 0.0000 C 0 0 0 0 0 0 0 0 0 4.4875 -6.4542 0.0000 C 0 0 0 0 0 0 0 0 0 3.2542 -7.5500 0.0000 C 0 0 0 0 0 0 0 0 0 4.2042 -8.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0.0125 -10.9042 0.0000 O 0 0 0 0 0 0 0 0 0 5.8875 -6.1667 0.0000 C 0 0 0 0 0 0 0 0 0 2.6375 -8.1000 0.0000 C 0 0 0 0 0 0 0 0 0 3.5875 -9.1667 0.0000 C 0 0 0 0 0 0 0 0 0 6.0542 -6.9750 0.0000 C 0 0 0 0 0 0 0 0 0 5.1000 -5.9042 0.0000 C 0 0 0 0 0 0 0 0 0 6.5042 -5.6167 0.0000 Cl 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 3 1 1 0 0 0 4 1 2 0 0 0 5 6 1 0 0 0 6 4 1 0 0 0 7 10 1 0 0 0 8 4 1 0 0 0 9 7 1 0 0 0 10 12 1 6 0 0 11 1 1 0 0 0 12 2 1 0 0 0 7 13 1 1 0 0 14 11 2 0 0 0 9 15 1 6 0 0 16 3 2 0 0 0 17 18 1 0 0 0 18 10 1 0 0 0 19 20 1 0 0 0 20 26 2 0 0 0 21 13 2 0 0 0 22 15 1 0 0 0 23 19 2 0 0 0 24 19 1 0 0 0 25 29 2 0 0 0 26 30 1 0 0 0 27 13 1 0 0 0 28 32 1 0 0 0 29 22 1 0 0 0 30 22 2 0 0 0 31 23 1 0 0 0 32 24 2 0 0 0 33 28 1 0 0 0 14 8 1 0 0 0 5 2 1 0 0 0 9 17 1 0 0 0 20 25 1 0 0 0 31 28 2 0 0 0 M END > 6.16621562534352 > 5.18045606445813 $$$$ 11280715532D 1 1.00000 0.00000 0 33 34 0 0 0 999 V2000 -5.3594 -4.4066 0.0000 C 0 0 0 0 0 0 0 0 0 -5.3594 -5.2357 0.0000 C 0 0 0 0 0 0 0 0 0 -4.6454 -5.6480 0.0000 N 0 0 3 0 0 0 0 0 0 -3.9267 -5.2357 0.0000 C 0 0 0 0 0 0 0 0 0 -3.9267 -4.4066 0.0000 C 0 0 0 0 0 0 0 0 0 -4.6454 -3.9898 0.0000 C 0 0 3 0 0 0 0 0 0 -5.3640 -3.5776 0.0000 C 0 0 0 0 0 0 0 0 0 -3.9353 -3.5707 0.0000 C 0 0 0 0 0 0 0 0 0 -3.9432 -2.7462 0.0000 S 0 0 3 0 0 0 0 0 0 -3.9486 -1.9193 0.0000 C 0 0 0 0 0 0 0 0 0 -4.7676 -2.7528 0.0000 O 0 0 0 0 0 0 0 0 0 -3.1187 -2.7420 0.0000 O 0 0 0 0 0 0 0 0 0 -5.3662 -2.7530 0.0000 O 0 0 0 0 0 0 0 0 0 -6.0769 -3.9918 0.0000 N 0 0 0 0 0 0 0 0 0 -6.7942 -3.5815 0.0000 O 0 0 0 0 0 0 0 0 0 -3.2328 -1.5031 0.0000 C 0 0 0 0 0 0 0 0 0 -3.2379 -0.6769 0.0000 C 0 0 0 0 0 0 0 0 0 -3.9572 -0.2673 0.0000 C 0 0 0 0 0 0 0 0 0 -4.6730 -0.6899 0.0000 C 0 0 0 0 0 0 0 0 0 -4.6644 -1.5146 0.0000 C 0 0 0 0 0 0 0 0 0 -3.9637 0.5572 0.0000 O 0 0 0 0 0 0 0 0 0 -3.2529 0.9750 0.0000 C 0 0 0 0 0 0 0 0 0 -3.2594 1.7996 0.0000 C 0 0 0 0 0 0 0 0 0 -3.2660 2.6247 0.0000 C 0 0 0 0 0 0 0 0 0 -3.2727 3.4493 0.0000 C 0 0 0 0 0 0 0 0 0 -4.6465 -6.4725 0.0000 C 0 0 0 0 0 0 0 0 0 -5.3612 -6.8838 0.0000 C 0 0 0 0 0 0 0 0 0 -3.9330 -6.8858 0.0000 O 0 0 0 0 0 0 0 0 0 -5.3623 -7.7083 0.0000 C 0 0 0 0 0 0 0 0 0 -6.0769 -8.1196 0.0000 C 0 0 0 0 0 0 0 0 0 -6.0781 -8.9441 0.0000 N 0 0 3 0 0 0 0 0 0 -6.7936 -9.3554 0.0000 C 0 0 0 0 0 0 0 0 0 -5.3646 -9.3574 0.0000 C 0 0 0 0 0 0 0 0 0 6 8 1 0 0 0 16 17 1 0 0 0 1 6 1 0 0 0 17 18 2 0 0 0 8 9 1 0 0 0 18 19 1 0 0 0 2 3 1 0 0 0 19 20 2 0 0 0 20 10 1 0 0 0 9 10 1 0 0 0 18 21 1 0 0 0 3 4 1 0 0 0 21 22 1 0 0 0 9 11 2 0 0 0 22 23 1 0 0 0 4 5 1 0 0 0 23 24 3 0 0 0 9 12 2 0 0 0 24 25 1 0 0 0 5 6 1 0 0 0 3 26 1 0 0 0 7 13 2 0 0 0 26 27 1 0 0 0 26 28 2 0 0 0 7 14 1 0 0 0 27 29 1 0 0 0 6 7 1 0 0 0 29 30 1 0 0 0 14 15 1 0 0 0 30 31 1 0 0 0 1 2 1 0 0 0 31 32 1 0 0 0 10 16 2 0 0 0 31 33 1 0 0 0 M END > 6.75202673363819 > 5.09854167860389 $$$$ 11280715332D 1 1.00000 0.00000 0 26 27 0 1 0 999 V2000 5.7750 -3.4917 0.0000 S 0 0 3 0 0 0 0 0 0 6.0625 -4.2750 0.0000 N 0 0 3 0 0 0 0 0 0 5.5292 -4.9042 0.0000 C 0 0 1 0 0 0 0 0 0 4.7042 -4.8625 0.0000 C 0 0 0 0 0 0 0 0 0 6.8250 -4.5792 0.0000 C 0 0 0 0 0 0 0 0 0 5.9667 -5.6000 0.0000 C 0 0 0 0 0 0 0 0 0 6.5542 -3.2042 0.0000 C 0 0 0 0 0 0 0 0 0 5.4875 -2.7167 0.0000 O 0 0 0 0 0 0 0 0 0 4.9917 -3.7792 0.0000 O 0 0 0 0 0 0 0 0 0 6.7667 -5.4042 0.0000 C 0 0 3 0 0 0 0 0 0 4.3292 -4.1292 0.0000 O 0 0 0 0 0 0 0 0 0 4.2542 -5.5542 0.0000 N 0 0 0 0 0 0 0 0 0 7.1792 -3.7292 0.0000 C 0 0 0 0 0 0 0 0 0 6.6917 -2.3917 0.0000 C 0 0 0 0 0 0 0 0 0 7.3917 -5.9417 0.0000 N 0 0 0 0 0 0 0 0 0 8.1000 -2.6417 0.0000 C 0 0 0 0 0 0 0 0 0 7.9542 -3.4500 0.0000 C 0 0 0 0 0 0 0 0 0 7.4667 -2.1125 0.0000 C 0 0 0 0 0 0 0 0 0 3.4292 -5.5125 0.0000 O 0 0 0 0 0 0 0 0 0 8.1667 -5.6667 0.0000 O 0 0 0 0 0 0 0 0 0 8.8792 -2.3542 0.0000 O 0 0 0 0 0 0 0 0 0 10.9167 -3.1417 0.0000 O 0 0 0 0 0 0 0 0 0 9.5167 -2.8917 0.0000 C 0 0 0 0 0 0 0 0 0 10.2917 -2.6125 0.0000 C 0 0 0 0 0 0 0 0 0 8.7917 -6.2042 0.0000 C 0 0 0 0 0 0 0 0 0 11.6917 -2.8667 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 2 1 0 0 0 3 6 1 6 0 0 7 1 1 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 5 1 0 0 0 11 4 2 0 0 0 12 4 1 0 0 0 13 7 2 0 0 0 14 7 1 0 0 0 10 15 1 0 0 0 16 18 1 0 0 0 17 13 1 0 0 0 18 14 2 0 0 0 19 12 1 0 0 0 20 15 1 0 0 0 21 16 1 0 0 0 22 24 1 0 0 0 23 21 1 0 0 0 24 23 1 0 0 0 25 20 1 0 0 0 26 22 1 0 0 0 16 17 2 0 0 0 10 6 1 0 0 0 M END > 8.09691001300806 > 5.37314658533328 $$$$ 11280715152D 1 1.00000 0.00000 0 36 39 0 1 0 999 V2000 4.0792 -5.2625 0.0000 S 0 0 3 0 0 0 0 0 0 4.4542 -3.0542 0.0000 C 0 0 2 0 0 0 0 0 0 5.1667 -2.6417 0.0000 C 0 0 2 0 0 0 0 0 0 5.8792 -3.0542 0.0000 C 0 0 0 0 0 0 0 0 0 4.2917 -6.0542 0.0000 C 0 0 0 0 0 0 0 0 0 3.8667 -4.4667 0.0000 N 0 0 3 0 0 0 0 0 0 4.4542 -3.8792 0.0000 C 0 0 0 0 0 0 0 0 0 6.6000 -2.6417 0.0000 N 0 0 3 0 0 0 0 0 0 3.7417 -2.6417 0.0000 C 0 0 0 0 0 0 0 0 0 3.7125 -6.6417 0.0000 C 0 0 0 0 0 0 0 0 0 3.2792 -5.4750 0.0000 O 0 0 0 0 0 0 0 0 0 4.8750 -5.0417 0.0000 O 0 0 0 0 0 0 0 0 0 5.1667 -1.8167 0.0000 C 0 0 0 0 0 0 0 0 0 5.8792 -3.8792 0.0000 O 0 0 0 0 0 0 0 0 0 3.7417 -1.8167 0.0000 O 0 0 0 0 0 0 0 0 0 3.0292 -3.0542 0.0000 N 0 0 0 0 0 0 0 0 0 3.9292 -7.4292 0.0000 C 0 0 0 0 0 0 0 0 0 5.0917 -6.2625 0.0000 C 0 0 0 0 0 0 0 0 0 2.3125 -2.6417 0.0000 O 0 0 0 0 0 0 0 0 0 3.0417 -4.4625 0.0000 C 0 0 0 0 0 0 0 0 0 6.5917 -1.8167 0.0000 C 0 0 0 0 0 0 0 0 0 7.3042 -3.0542 0.0000 C 0 0 0 0 0 0 0 0 0 5.7542 -1.2292 0.0000 C 0 0 3 0 0 0 0 0 0 2.9167 -6.4292 0.0000 C 0 0 0 0 0 0 0 0 0 5.3042 -7.0542 0.0000 C 0 0 0 0 0 0 0 0 0 4.7292 -7.6417 0.0000 C 0 0 0 0 0 0 0 0 0 3.3542 -8.0167 0.0000 C 0 0 0 0 0 0 0 0 0 5.6167 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 6.5667 -1.3542 0.0000 C 0 0 0 0 0 0 0 0 0 8.0167 -2.6500 0.0000 C 0 0 0 0 0 0 0 0 0 7.3125 -1.4042 0.0000 C 0 0 0 0 0 0 0 0 0 2.3417 -7.0167 0.0000 C 0 0 0 0 0 0 0 0 0 2.5625 -7.8125 0.0000 C 0 0 0 0 0 0 0 0 0 6.9417 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 6.3542 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 8.0250 -1.8250 0.0000 C 0 0 0 0 0 0 0 0 0 2 7 1 6 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 1 1 0 0 0 6 1 1 0 0 0 7 6 1 0 0 0 8 4 1 0 0 0 9 2 1 0 0 0 10 5 2 0 0 0 11 1 2 0 0 0 12 1 2 0 0 0 3 13 1 1 0 0 14 4 2 0 0 0 15 9 2 0 0 0 16 9 1 0 0 0 17 10 1 0 0 0 18 5 1 0 0 0 19 16 1 0 0 0 20 6 1 0 0 0 21 8 1 0 0 0 22 8 1 0 0 0 23 13 1 0 0 0 24 10 1 0 0 0 25 18 2 0 0 0 26 25 1 0 0 0 27 17 1 0 0 0 28 23 1 0 0 0 29 23 1 0 0 0 30 22 1 0 0 0 31 21 1 0 0 0 32 24 2 0 0 0 33 32 1 0 0 0 34 29 1 0 0 0 35 28 1 0 0 0 36 30 1 0 0 0 17 26 2 0 0 0 33 27 2 0 0 0 34 35 1 0 0 0 31 36 1 0 0 0 M END > 8.09691001300806 > 8.22184874961636 $$$$ 11280715212D 1 1.00000 0.00000 0 29 31 0 0 0 999 V2000 -1.5000 1.5625 0.0000 S 0 0 3 0 0 0 0 0 0 -2.9333 1.5750 0.0000 C 0 0 3 0 0 0 0 0 0 -2.2208 1.9875 0.0000 N 0 0 0 0 0 0 0 0 0 -3.6500 1.9875 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7833 1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0750 2.2833 0.0000 O 0 0 0 0 0 0 0 0 0 -1.9250 0.8458 0.0000 O 0 0 0 0 0 0 0 0 0 -3.6500 2.8208 0.0000 O 0 0 0 0 0 0 0 0 0 -4.3625 1.5750 0.0000 N 0 0 0 0 0 0 0 0 0 -3.6583 1.1583 0.0000 C 0 0 0 0 0 0 0 0 0 -2.2208 1.1583 0.0000 C 0 0 0 0 0 0 0 0 0 -2.9375 -0.0875 0.0000 O 0 0 0 0 0 0 0 0 0 1.3667 -0.1042 0.0000 O 0 0 0 0 0 0 0 0 0 -0.0708 1.5500 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7833 0.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0.6500 0.3083 0.0000 C 0 0 0 0 0 0 0 0 0 1.3625 -0.9292 0.0000 C 0 0 0 0 0 0 0 0 0 1.3542 -2.5875 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0708 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0.6500 1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 -4.3625 0.7458 0.0000 O 0 0 0 0 0 0 0 0 0 0.6417 -1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 2.0792 -1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 2.0792 -2.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0.6417 -2.1667 0.0000 C 0 0 0 0 0 0 0 0 0 1.3542 -3.4125 0.0000 O 0 0 0 0 0 0 0 0 0 -2.2208 0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 -3.6583 0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0.6375 -3.8167 0.0000 C 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 3 1 1 0 0 0 4 2 1 0 0 0 5 1 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 4 2 0 0 0 9 4 1 0 0 0 10 2 1 0 0 0 11 2 1 0 0 0 12 27 1 0 0 0 13 16 1 0 0 0 14 5 1 0 0 0 15 5 2 0 0 0 16 19 2 0 0 0 17 13 1 0 0 0 18 24 1 0 0 0 19 15 1 0 0 0 20 14 2 0 0 0 21 9 1 0 0 0 22 17 2 0 0 0 23 17 1 0 0 0 24 23 2 0 0 0 25 22 1 0 0 0 26 18 1 0 0 0 27 11 1 0 0 0 28 10 1 0 0 0 29 26 1 0 0 0 20 16 1 0 0 0 12 28 1 0 0 0 18 25 2 0 0 0 M END > 9.06048074738138 > 6.10790539730952 $$$$ SciTegic01161211242D 27 27 0 0 0 0 999 V2000 3.1503 -0.7190 0.0000 S 0 0 1.6852 -0.3846 0.0000 N 0 0 1.3514 1.0778 0.0000 C 0 0 -1.3515 1.0777 0.0000 N 0 0 2.5244 2.0171 0.0000 C 0 0 0.0000 1.7286 0.0000 C 0 0 -2.5283 2.0123 0.0000 C 0 0 3.5936 -2.1529 0.0000 C 0 0 3.9663 0.1609 0.0000 O 0 0 2.7964 0.4276 0.0000 O 0 0 3.6423 1.5807 0.0000 O 0 0 -2.3515 3.1992 0.0000 O 0 0 2.2987 3.5009 0.0000 N 0 0 0.7500 -1.5574 0.0000 C 0 0 5.0562 -2.4858 0.0000 C 0 0 2.5741 -3.2531 0.0000 C 0 0 -0.7500 -1.5574 0.0000 C 0 0 -1.6852 -0.3847 0.0000 C 0 0 4.4797 -5.0191 0.0000 C 0 0 3.0171 -4.6862 0.0000 C 0 0 5.4993 -3.9188 0.0000 C 0 0 11.2000 1.1429 0.0000 Cl 0 0 -3.9246 1.4620 0.0000 C 0 0 -4.8643 2.2083 0.0000 N 0 0 3.2353 4.2510 0.0000 O 0 0 4.9259 -6.4520 0.0000 O 0 0 6.0964 -6.7166 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 5 1 0 3 6 1 0 4 6 1 0 4 7 1 0 1 8 1 0 1 9 2 0 1 10 2 0 5 11 2 0 7 12 2 0 5 13 1 0 2 14 1 0 8 15 1 0 8 16 2 0 14 17 1 0 4 18 1 0 17 18 1 0 16 20 1 0 19 20 2 0 15 21 2 0 19 21 1 0 7 23 1 0 23 24 1 0 13 25 1 0 19 26 1 0 26 27 1 0 M END > 7.33724216831843 > 6.15304467498018 $$$$ 11280715242D 1 1.00000 0.00000 0 38 42 0 1 0 999 V2000 1.1542 -3.6042 0.0000 N 0 0 3 0 0 0 0 0 0 1.1917 -2.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0.3667 -3.8292 0.0000 C 0 0 0 0 0 0 0 0 0 4.6917 -4.1542 0.0000 S 0 0 3 0 0 0 0 0 0 3.2292 -4.3167 0.0000 C 0 0 2 0 0 0 0 0 0 -0.0875 -3.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0.4250 -2.5042 0.0000 C 0 0 0 0 0 0 0 0 0 1.8167 -4.1167 0.0000 C 0 0 0 0 0 0 0 0 0 3.9125 -3.8667 0.0000 C 0 0 2 0 0 0 0 0 0 2.5792 -3.8125 0.0000 C 0 0 2 0 0 0 0 0 0 3.2042 -5.1500 0.0000 C 0 0 0 0 0 0 0 0 0 3.6875 -3.0667 0.0000 C 0 0 0 0 0 0 0 0 0 1.8917 -2.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0.0792 -4.6042 0.0000 O 0 0 0 0 0 0 0 0 0 4.4000 -4.9375 0.0000 O 0 0 0 0 0 0 0 0 0 5.4667 -4.4417 0.0000 O 0 0 0 0 0 0 0 0 0 4.9875 -3.3792 0.0000 C 0 0 0 0 0 0 0 0 0 2.8625 -3.0375 0.0000 C 0 0 0 0 0 0 0 0 0 6.6667 -0.9167 0.0000 C 0 0 0 0 0 0 0 0 0 6.9500 -0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 3.9125 -5.5875 0.0000 O 0 0 0 0 0 0 0 0 0 5.8542 -1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 7.1917 -1.5667 0.0000 C 0 0 0 0 0 0 0 0 0 7.7542 -0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 6.4167 0.4833 0.0000 C 0 0 0 0 0 0 0 0 0 2.4792 -5.5417 0.0000 O 0 0 0 0 0 0 0 0 0 7.5167 1.3958 0.0000 C 0 0 0 0 0 0 0 0 0 6.0917 -2.4667 0.0000 C 0 0 0 0 0 0 0 0 0 5.8000 -3.2417 0.0000 C 0 0 0 0 0 0 0 0 0 6.7042 1.2583 0.0000 C 0 0 0 0 0 0 0 0 0 8.0417 0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 6.9042 -2.3292 0.0000 C 0 0 0 0 0 0 0 0 0 5.5667 -1.8292 0.0000 C 0 0 0 0 0 0 0 0 0 7.8000 2.1833 0.0000 F 0 0 0 0 0 0 0 0 0 -0.9083 -3.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0.1250 -1.7375 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6958 -1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 -1.2083 -2.2542 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 9 4 1 6 0 0 5 10 1 0 0 0 6 3 1 0 0 0 7 2 1 0 0 0 8 1 1 0 0 0 9 5 1 0 0 0 10 8 1 6 0 0 5 11 1 1 0 0 12 18 1 0 0 0 13 2 2 0 0 0 14 3 2 0 0 0 15 4 2 0 0 0 16 4 2 0 0 0 17 4 1 0 0 0 18 10 1 0 0 0 19 22 1 0 0 0 20 19 1 0 0 0 21 11 2 0 0 0 22 33 2 0 0 0 23 32 1 0 0 0 24 20 2 0 0 0 25 20 1 0 0 0 26 11 1 0 0 0 27 30 1 0 0 0 28 29 1 0 0 0 29 17 1 0 0 0 30 25 2 0 0 0 31 24 1 0 0 0 32 28 2 0 0 0 33 28 1 0 0 0 34 27 1 0 0 0 35 6 1 0 0 0 36 7 1 0 0 0 37 36 2 0 0 0 38 35 2 0 0 0 6 7 2 0 0 0 9 12 1 0 0 0 37 38 1 0 0 0 23 19 2 0 0 0 31 27 2 0 0 0 M END > 6.52870828894106 > 5.22914798835786 $$$$ 11280715512D 1 1.00000 0.00000 0 29 30 0 1 0 999 V2000 6.9569 -10.0046 0.0000 C 0 0 0 0 0 0 0 0 0 6.9558 -10.8310 0.0000 C 0 0 0 0 0 0 0 0 0 7.6697 -11.2434 0.0000 C 0 0 0 0 0 0 0 0 0 8.3852 -10.8305 0.0000 C 0 0 0 0 0 0 0 0 0 8.3824 -10.0010 0.0000 C 0 0 0 0 0 0 0 0 0 7.6679 -9.5924 0.0000 C 0 0 0 0 0 0 0 0 0 6.2376 -11.2549 0.0000 S 0 0 3 0 0 0 0 0 0 5.5142 -11.6777 0.0000 N 0 0 3 0 0 0 0 0 0 6.6626 -11.9748 0.0000 O 0 0 0 0 0 0 0 0 0 5.8102 -10.5341 0.0000 O 0 0 0 0 0 0 0 0 0 4.7907 -11.2723 0.0000 C 0 0 2 0 0 0 0 0 0 4.0818 -11.6915 0.0000 C 0 0 3 0 0 0 0 0 0 4.0904 -12.5219 0.0000 S 0 0 0 0 0 0 0 0 0 4.8224 -12.9231 0.0000 C 0 0 2 0 0 0 0 0 0 5.5291 -12.5065 0.0000 C 0 0 0 0 0 0 0 0 0 4.7756 -10.4483 0.0000 C 0 0 0 0 0 0 0 0 0 5.4774 -10.0241 0.0000 O 0 0 0 0 0 0 0 0 0 4.0502 -10.0444 0.0000 N 0 0 0 0 0 0 0 0 0 4.0394 -9.2204 0.0000 O 0 0 0 0 0 0 0 0 0 9.0993 -9.5802 0.0000 O 0 0 0 0 0 0 0 0 0 9.8128 -9.9976 0.0000 C 0 0 0 0 0 0 0 0 0 9.8028 -10.8226 0.0000 C 0 0 0 0 0 0 0 0 0 9.7986 -11.6527 0.0000 C 0 0 0 0 0 0 0 0 0 9.7894 -12.4842 0.0000 C 0 0 0 0 0 0 0 0 0 3.8662 -10.8952 0.0000 C 0 0 0 0 0 0 0 0 0 3.2586 -11.6443 0.0000 C 0 0 0 0 0 0 0 0 0 4.8367 -13.7488 0.0000 C 0 0 0 0 0 0 0 0 0 4.1303 -14.1731 0.0000 C 0 0 0 0 0 0 0 0 0 4.1446 -14.9969 0.0000 O 0 0 0 0 0 0 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 3 4 2 0 0 0 11 16 1 0 0 0 7 8 1 0 0 0 16 17 2 0 0 0 16 18 1 0 0 0 7 9 2 0 0 0 18 19 1 0 0 0 4 5 1 0 0 0 5 20 1 0 0 0 7 10 2 0 0 0 20 21 1 0 0 0 8 11 1 0 0 0 21 22 1 0 0 0 2 3 1 0 0 0 22 23 3 0 0 0 5 6 2 0 0 0 23 24 1 0 0 0 6 1 1 0 0 0 12 25 1 0 0 0 1 2 2 0 0 0 12 26 1 0 0 0 2 7 1 0 0 0 14 27 1 6 0 0 8 15 1 0 0 0 27 28 1 0 0 0 11 12 1 6 0 0 28 29 1 0 0 0 M END > 7.63827216398241 > 7.67778070526608 $$$$ 11280714592D 1 1.00000 0.00000 0 26 27 0 0 0 999 V2000 5.7042 -6.7750 0.0000 S 0 0 3 0 0 0 0 0 0 7.2667 -4.6542 0.0000 N 0 3 0 0 0 0 0 0 0 5.1792 -6.4667 0.0000 N 0 0 3 0 0 0 0 0 0 4.6542 -6.7750 0.0000 C 0 0 0 0 0 0 0 0 0 4.1292 -6.4667 0.0000 C 0 0 0 0 0 0 0 0 0 6.2292 -7.0750 0.0000 C 0 0 0 0 0 0 0 0 0 6.7500 -4.9625 0.0000 C 0 0 0 0 0 0 0 0 0 6.0125 -6.2542 0.0000 O 0 0 0 0 0 0 0 0 0 5.4000 -7.2917 0.0000 O 0 0 0 0 0 0 0 0 0 7.7917 -4.9625 0.0000 O 0 5 0 0 0 0 0 0 0 7.2667 -4.0542 0.0000 O 0 0 0 0 0 0 0 0 0 5.1792 -5.8667 0.0000 C 0 0 0 0 0 0 0 0 0 3.6125 -6.7750 0.0000 O 0 0 0 0 0 0 0 0 0 4.1292 -5.8667 0.0000 N 0 0 0 0 0 0 0 0 0 6.7500 -5.5667 0.0000 C 0 0 0 0 0 0 0 0 0 6.2167 -4.6542 0.0000 C 0 0 0 0 0 0 0 0 0 5.7042 -5.5667 0.0000 C 0 0 0 0 0 0 0 0 0 6.2292 -7.6792 0.0000 C 0 0 0 0 0 0 0 0 0 5.7042 -4.9625 0.0000 C 0 0 0 0 0 0 0 0 0 6.2292 -5.8667 0.0000 C 0 0 0 0 0 0 0 0 0 3.6125 -5.5667 0.0000 O 0 0 0 0 0 0 0 0 0 5.7042 -7.9792 0.0000 C 0 0 0 0 0 0 0 0 0 6.7500 -7.9792 0.0000 C 0 0 0 0 0 0 0 0 0 6.7500 -8.5792 0.0000 C 0 0 0 0 0 0 0 0 0 5.7042 -8.5792 0.0000 C 0 0 0 0 0 0 0 0 0 6.2292 -8.8792 0.0000 C 0 0 0 0 0 0 0 0 0 2 7 1 0 0 0 3 1 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 6 1 1 0 0 0 7 15 2 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 2 1 0 0 0 11 2 2 0 0 0 12 3 1 0 0 0 13 5 2 0 0 0 14 5 1 0 0 0 15 20 1 0 0 0 16 19 2 0 0 0 17 12 1 0 0 0 18 6 1 0 0 0 19 17 1 0 0 0 20 17 2 0 0 0 21 14 1 0 0 0 22 18 2 0 0 0 23 18 1 0 0 0 24 23 2 0 0 0 25 22 1 0 0 0 26 24 1 0 0 0 25 26 2 0 0 0 7 16 1 0 0 0 M CHG 2 2 1 10 -1 M END > 7.30102999566398 > 7.61978875828839 $$$$ 11280714482D 1 1.00000 0.00000 0 23 25 0 1 0 999 V2000 3.5667 -2.1250 0.0000 C 0 0 0 0 0 0 0 0 0 2.7542 -2.2917 0.0000 N 0 0 0 0 0 0 0 0 0 2.6792 -3.1167 0.0000 C 0 0 1 0 0 0 0 0 0 3.9792 -2.8417 0.0000 C 0 0 1 0 0 0 0 0 0 1.9542 -3.5292 0.0000 C 0 0 0 0 0 0 0 0 0 3.4292 -3.4542 0.0000 C 0 0 0 0 0 0 0 0 0 4.8042 -2.9250 0.0000 C 0 0 0 0 0 0 0 0 0 3.9042 -1.3667 0.0000 O 0 0 0 0 0 0 0 0 0 6.4417 -3.1000 0.0000 C 0 0 0 0 0 0 0 0 0 7.2542 -3.1792 0.0000 C 0 0 0 0 0 0 0 0 0 1.9542 -4.3542 0.0000 O 0 0 0 0 0 0 0 0 0 1.2417 -3.1167 0.0000 N 0 0 0 0 0 0 0 0 0 5.2792 -2.2542 0.0000 C 0 0 0 0 0 0 0 0 0 5.1292 -3.6792 0.0000 C 0 0 0 0 0 0 0 0 0 5.9542 -3.7667 0.0000 C 0 0 0 0 0 0 0 0 0 6.0917 -2.3417 0.0000 C 0 0 0 0 0 0 0 0 0 7.5917 -3.9375 0.0000 C 0 0 0 0 0 0 0 0 0 7.7292 -2.5167 0.0000 C 0 0 0 0 0 0 0 0 0 8.8917 -3.3542 0.0000 C 0 0 0 0 0 0 0 0 0 8.5542 -2.5917 0.0000 C 0 0 0 0 0 0 0 0 0 8.4042 -4.0167 0.0000 C 0 0 0 0 0 0 0 0 0 9.7167 -3.4375 0.0000 F 0 0 0 0 0 0 0 0 0 0.5292 -3.5292 0.0000 O 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 1 1 0 0 0 3 5 1 6 0 0 6 4 1 0 0 0 4 7 1 6 0 0 8 1 2 0 0 0 9 15 2 0 0 0 10 9 1 0 0 0 11 5 2 0 0 0 12 5 1 0 0 0 13 7 1 0 0 0 14 7 2 0 0 0 15 14 1 0 0 0 16 13 2 0 0 0 17 10 2 0 0 0 18 10 1 0 0 0 19 20 1 0 0 0 20 18 2 0 0 0 21 17 1 0 0 0 22 19 1 0 0 0 23 12 1 0 0 0 3 6 1 0 0 0 16 9 1 0 0 0 21 19 2 0 0 0 M END > 6.73992861201492 > 5.19178902707578 $$$$ 11280715062D 1 1.00000 0.00000 0 23 22 0 1 0 999 V2000 2.9167 -1.3667 0.0000 C 0 0 0 0 0 0 0 0 0 3.6292 -0.9542 0.0000 N 0 0 0 0 0 0 0 0 0 2.2042 -0.9542 0.0000 C 0 0 1 0 0 0 0 0 0 4.3417 -1.3667 0.0000 C 0 0 1 0 0 0 0 0 0 5.0625 -0.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0.7750 -0.9542 0.0000 C 0 0 0 0 0 0 0 0 0 1.4917 -1.3667 0.0000 C 0 0 2 0 0 0 0 0 0 4.3417 -2.1917 0.0000 C 0 0 3 0 0 0 0 0 0 2.9167 -2.1917 0.0000 O 0 0 0 0 0 0 0 0 0 2.2042 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0.7750 -0.1292 0.0000 O 0 0 0 0 0 0 0 0 0 5.7750 -1.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0.0625 -1.3667 0.0000 N 0 0 0 0 0 0 0 0 0 5.0625 -0.1292 0.0000 N 0 0 0 0 0 0 0 0 0 0.0625 -2.1917 0.0000 O 0 0 0 0 0 0 0 0 0 1.4917 -2.1917 0.0000 C 0 0 0 0 0 0 0 0 0 2.9167 0.2833 0.0000 C 0 0 3 0 0 0 0 0 0 5.2000 -2.2667 0.0000 C 0 0 0 0 0 0 0 0 0 4.2542 -2.9625 0.0000 C 0 0 0 0 0 0 0 0 0 3.5917 -2.5542 0.0000 C 0 0 0 0 0 0 0 0 0 5.7750 0.2833 0.0000 C 0 0 0 0 0 0 0 0 0 3.6292 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 2.7000 1.0833 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 2 1 0 0 0 5 4 1 0 0 0 6 7 1 0 0 0 7 3 1 0 0 0 4 8 1 1 0 0 9 1 2 0 0 0 3 10 1 1 0 0 11 6 2 0 0 0 12 5 2 0 0 0 13 6 1 0 0 0 14 5 1 0 0 0 15 13 1 0 0 0 7 16 1 1 0 0 17 10 1 0 0 0 18 8 1 0 0 0 19 8 1 0 0 0 20 8 1 0 0 0 21 14 1 0 0 0 22 17 1 0 0 0 23 17 1 0 0 0 M END > 8.58502665202918 > 8.58502665202918 $$$$ 11280715062D 1 1.00000 0.00000 0 33 33 0 1 0 999 V2000 -1.9708 -0.7625 0.0000 N 0 0 3 0 0 0 0 0 0 -2.7875 -0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 -1.6458 -1.5167 0.0000 C 0 0 0 0 0 0 0 0 0 -2.9625 -1.6417 0.0000 N 0 0 3 0 0 0 0 0 0 -2.2583 -2.0625 0.0000 C 0 0 3 0 0 0 0 0 0 -1.2583 0.4750 0.0000 C 0 0 2 0 0 0 0 0 0 -1.2583 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0.1667 0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0.8875 0.8875 0.0000 N 0 0 0 0 0 0 0 0 0 -0.5458 0.8875 0.0000 C 0 0 2 0 0 0 0 0 0 1.6000 0.4750 0.0000 C 0 0 1 0 0 0 0 0 0 -1.9708 0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 2.3167 0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 -3.3375 -0.2292 0.0000 O 0 0 0 0 0 0 0 0 0 -0.8375 -1.6917 0.0000 O 0 0 0 0 0 0 0 0 0 1.6000 -0.3500 0.0000 C 0 0 3 0 0 0 0 0 0 0.1667 -0.3500 0.0000 O 0 0 0 0 0 0 0 0 0 -0.5458 1.7125 0.0000 C 0 0 0 0 0 0 0 0 0 -1.9708 1.7125 0.0000 O 0 0 0 0 0 0 0 0 0 3.0292 0.4750 0.0000 O 0 0 0 0 0 0 0 0 0 -2.6833 0.4750 0.0000 N 0 0 0 0 0 0 0 0 0 2.3167 1.7125 0.0000 N 0 0 0 0 0 0 0 0 0 -3.7208 -1.9667 0.0000 C 0 0 0 0 0 0 0 0 0 -2.1833 -2.8792 0.0000 C 0 0 0 0 0 0 0 0 0 -1.6750 -2.6417 0.0000 C 0 0 0 0 0 0 0 0 0 -3.4833 0.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0.1667 2.1250 0.0000 C 0 0 3 0 0 0 0 0 0 0.8500 -0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 2.4542 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 1.5125 -1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 3.0292 2.1250 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0458 2.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0.8792 2.5458 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 2 1 0 0 0 5 3 1 0 0 0 6 7 1 1 0 0 7 1 1 0 0 0 8 10 1 0 0 0 9 8 1 0 0 0 10 6 1 0 0 0 11 9 1 0 0 0 12 6 1 0 0 0 13 11 1 0 0 0 14 2 2 0 0 0 15 3 2 0 0 0 11 16 1 1 0 0 17 8 2 0 0 0 10 18 1 1 0 0 19 12 2 0 0 0 20 13 2 0 0 0 21 12 1 0 0 0 22 13 1 0 0 0 23 4 1 0 0 0 24 5 1 0 0 0 25 5 1 0 0 0 26 21 1 0 0 0 27 18 1 0 0 0 28 16 1 0 0 0 29 16 1 0 0 0 30 16 1 0 0 0 31 22 1 0 0 0 32 27 1 0 0 0 33 27 1 0 0 0 4 5 1 0 0 0 M END > 9 > 9 $$$$ 11280715492D 1 1.00000 0.00000 0 31 32 0 0 0 999 V2000 3.3667 -1.1125 0.0000 S 0 0 3 0 0 0 0 0 0 2.5417 -1.1542 0.0000 N 0 0 3 0 0 0 0 0 0 2.1000 -0.4542 0.0000 C 0 0 3 0 0 0 0 0 0 0.9000 -1.2250 0.0000 N 0 0 3 0 0 0 0 0 0 0.0750 -1.2625 0.0000 C 0 0 0 0 0 0 0 0 0 1.2792 -0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 2.4792 0.2750 0.0000 C 0 0 0 0 0 0 0 0 0 2.1667 -1.8792 0.0000 C 0 0 0 0 0 0 0 0 0 4.1917 -1.0750 0.0000 C 0 0 0 0 0 0 0 0 0 3.3667 -0.2875 0.0000 O 0 0 0 0 0 0 0 0 0 3.3667 -1.9375 0.0000 O 0 0 0 0 0 0 0 0 0 6.7375 -2.3792 0.0000 C 0 0 0 0 0 0 0 0 0 6.3167 -3.0917 0.0000 C 0 0 0 0 0 0 0 0 0 1.3417 -1.9167 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3708 -0.5667 0.0000 N 0 0 3 0 0 0 0 0 0 -0.3083 -1.9917 0.0000 O 0 0 0 0 0 0 0 0 0 3.2750 0.4958 0.0000 O 0 0 0 0 0 0 0 0 0 1.9625 0.9208 0.0000 N 0 0 0 0 0 0 0 0 0 4.6375 -1.7667 0.0000 C 0 0 0 0 0 0 0 0 0 4.5750 -0.3417 0.0000 C 0 0 0 0 0 0 0 0 0 5.8417 -0.9917 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 5.4625 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 2.2542 1.6875 0.0000 O 0 0 0 0 0 0 0 0 0 7.1167 -1.6417 0.0000 C 0 0 0 0 0 0 0 0 0 6.6667 -0.9542 0.0000 O 0 0 0 0 0 0 0 0 0 5.9042 -3.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0.0042 0.1625 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1958 -0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 -0.4333 0.8583 0.0000 C 0 0 0 0 0 0 0 0 0 -1.6375 0.0875 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 14 1 0 0 0 5 4 1 0 0 0 6 3 1 0 0 0 7 3 1 0 0 0 8 2 1 0 0 0 9 1 1 0 0 0 10 1 2 0 0 0 11 1 2 0 0 0 12 25 1 0 0 0 13 12 3 0 0 0 14 8 1 0 0 0 15 5 1 0 0 0 16 5 2 0 0 0 17 7 2 0 0 0 18 7 1 0 0 0 19 9 1 0 0 0 20 9 2 0 0 0 21 22 2 0 0 0 22 20 1 0 0 0 23 19 2 0 0 0 24 18 1 0 0 0 25 26 1 0 0 0 26 21 1 0 0 0 27 13 1 0 0 0 28 15 1 0 0 0 29 15 1 0 0 0 30 28 1 0 0 0 31 29 1 0 0 0 23 21 1 0 0 0 6 4 1 0 0 0 M END > 7.01322826573375 > 5.75646589816794 $$$$ 11280715152D 1 1.00000 0.00000 0 33 36 0 0 0 999 V2000 6.6750 -5.1375 0.0000 S 0 0 3 0 0 0 0 0 0 6.3792 -5.9167 0.0000 N 0 0 3 0 0 0 0 0 0 5.3417 -7.4500 0.0000 N 0 0 3 0 0 0 0 0 0 5.5667 -5.9792 0.0000 C 0 0 3 0 0 0 0 0 0 4.7292 -8.0042 0.0000 C 0 0 0 0 0 0 0 0 0 5.1042 -6.6625 0.0000 C 0 0 0 0 0 0 0 0 0 6.9500 -6.5167 0.0000 C 0 0 0 0 0 0 0 0 0 6.1167 -7.7542 0.0000 C 0 0 0 0 0 0 0 0 0 5.1542 -5.2542 0.0000 C 0 0 0 0 0 0 0 0 0 6.8292 -7.3417 0.0000 C 0 0 0 0 0 0 0 0 0 4.9042 -8.8042 0.0000 C 0 0 0 0 0 0 0 0 0 6.9625 -4.3542 0.0000 C 0 0 0 0 0 0 0 0 0 6.1042 -4.3667 0.0000 O 0 0 0 0 0 0 0 0 0 7.6042 -5.2125 0.0000 O 0 0 0 0 0 0 0 0 0 4.4250 -9.4792 0.0000 S 0 0 0 0 0 0 0 0 0 3.9500 -7.7500 0.0000 O 0 0 0 0 0 0 0 0 0 5.5792 -4.5417 0.0000 O 0 0 0 0 0 0 0 0 0 5.6917 -9.0625 0.0000 C 0 0 0 0 0 0 0 0 0 4.9167 -10.1500 0.0000 C 0 0 0 0 0 0 0 0 0 4.3292 -5.2542 0.0000 N 0 0 0 0 0 0 0 0 0 5.6917 -9.8792 0.0000 C 0 0 0 0 0 0 0 0 0 6.4375 -3.7292 0.0000 C 0 0 0 0 0 0 0 0 0 7.7750 -4.2167 0.0000 C 0 0 0 0 0 0 0 0 0 7.5292 -2.8125 0.0000 C 0 0 0 0 0 0 0 0 0 8.0542 -3.4417 0.0000 C 0 0 0 0 0 0 0 0 0 6.7167 -2.9542 0.0000 C 0 0 0 0 0 0 0 0 0 3.9167 -4.5417 0.0000 O 0 0 0 0 0 0 0 0 0 7.5417 -7.7542 0.0000 C 0 0 0 0 0 0 0 0 0 6.1167 -8.5792 0.0000 C 0 0 0 0 0 0 0 0 0 7.8125 -2.0292 0.0000 O 0 0 0 0 0 0 0 0 0 7.2792 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 7.5417 -8.5792 0.0000 C 0 0 0 0 0 0 0 0 0 6.8292 -8.9917 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 6 1 0 0 0 4 2 1 0 0 0 5 3 1 0 0 0 6 4 1 0 0 0 7 2 1 0 0 0 8 10 1 0 0 0 9 4 1 0 0 0 10 7 1 0 0 0 11 5 1 0 0 0 12 1 1 0 0 0 13 1 2 0 0 0 14 1 2 0 0 0 15 11 1 0 0 0 16 5 2 0 0 0 17 9 2 0 0 0 18 11 2 0 0 0 19 15 1 0 0 0 20 9 1 0 0 0 21 18 1 0 0 0 22 12 1 0 0 0 23 12 2 0 0 0 24 25 2 0 0 0 25 23 1 0 0 0 26 22 2 0 0 0 27 20 1 0 0 0 28 10 2 0 0 0 29 8 2 0 0 0 30 24 1 0 0 0 31 30 1 0 0 0 32 28 1 0 0 0 33 32 2 0 0 0 24 26 1 0 0 0 3 8 1 0 0 0 33 29 1 0 0 0 21 19 2 0 0 0 M END > 9 > 7.69897000433602 $$$$ 11280715322D 1 1.00000 0.00000 0 25 26 0 1 0 999 V2000 1.4875 -0.6042 0.0000 S 0 0 3 0 0 0 0 0 0 1.4875 -1.2042 0.0000 N 0 0 3 0 0 0 0 0 0 1.0042 -1.5542 0.0000 C 0 0 1 0 0 0 0 0 0 0.4292 -1.3667 0.0000 C 0 0 0 0 0 0 0 0 0 1.9750 -1.5542 0.0000 C 0 0 0 0 0 0 0 0 0 1.1875 -2.1292 0.0000 C 0 0 0 0 0 0 0 0 0 2.7375 -2.5500 0.0000 C 0 0 0 0 0 0 0 0 0 2.0042 -0.3042 0.0000 C 0 0 0 0 0 0 0 0 0 1.7875 -2.1292 0.0000 C 0 0 2 0 0 0 0 0 0 0.9042 -0.4417 0.0000 O 0 0 0 0 0 0 0 0 0 1.4792 -0.0042 0.0000 O 0 0 0 0 0 0 0 0 0 2.1417 -2.6125 0.0000 N 0 0 0 0 0 0 0 0 0 0.3042 -0.7792 0.0000 O 0 0 0 0 0 0 0 0 0 3.0000 -2.0042 0.0000 O 0 0 0 0 0 0 0 0 0 -0.0125 -1.7667 0.0000 N 0 0 0 0 0 0 0 0 0 3.0917 -3.0375 0.0000 N 0 0 0 0 0 0 0 0 0 2.5292 -0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 2.0042 0.2958 0.0000 C 0 0 0 0 0 0 0 0 0 3.0500 0.2958 0.0000 C 0 0 0 0 0 0 0 0 0 2.5250 0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 3.0500 -0.3042 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5833 -1.5875 0.0000 O 0 0 0 0 0 0 0 0 0 3.5667 0.5958 0.0000 O 0 0 0 0 0 0 0 0 0 3.6875 -2.9750 0.0000 C 0 0 0 0 0 0 0 0 0 4.0875 0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 2 1 0 0 0 3 6 1 6 0 0 7 12 1 0 0 0 8 1 1 0 0 0 9 5 1 0 0 0 10 1 2 0 0 0 11 1 2 0 0 0 9 12 1 1 0 0 13 4 2 0 0 0 14 7 2 0 0 0 15 4 1 0 0 0 16 7 1 0 0 0 17 8 2 0 0 0 18 8 1 0 0 0 19 20 1 0 0 0 20 18 2 0 0 0 21 17 1 0 0 0 22 15 1 0 0 0 23 19 1 0 0 0 24 16 1 0 0 0 25 23 1 0 0 0 19 21 2 0 0 0 9 6 1 0 0 0 M END > 7.56863623584101 > 5.50863830616573 $$$$ 02060813472D 1 1.00000 0.00000 0 34 36 0 0 0 999 V2000 4.8219 -22.7466 0.0000 C 0 0 0 0 0 0 0 0 0 4.8219 -23.5770 0.0000 C 0 0 0 0 0 0 0 0 0 5.5370 -23.9900 0.0000 N 0 0 3 0 0 0 0 0 0 6.2568 -23.5770 0.0000 C 0 0 0 0 0 0 0 0 0 6.2568 -22.7466 0.0000 C 0 0 0 0 0 0 0 0 0 5.5370 -22.3292 0.0000 C 0 0 3 0 0 0 0 0 0 4.8173 -21.9163 0.0000 C 0 0 0 0 0 0 0 0 0 4.1032 -22.3312 0.0000 N 0 0 0 0 0 0 0 0 0 4.8149 -21.0905 0.0000 O 0 0 0 0 0 0 0 0 0 3.3869 -21.9202 0.0000 O 0 0 0 0 0 0 0 0 0 6.2441 -21.9117 0.0000 C 0 0 0 0 0 0 0 0 0 6.9633 -22.3175 0.0000 S 0 0 3 0 0 0 0 0 0 7.6710 -22.7283 0.0000 C 0 0 0 0 0 0 0 0 0 7.3735 -21.6008 0.0000 O 0 0 0 0 0 0 0 0 0 6.5597 -23.0381 0.0000 O 0 0 0 0 0 0 0 0 0 7.6662 -23.5475 0.0000 C 0 0 0 0 0 0 0 0 0 8.3731 -23.9582 0.0000 C 0 0 0 0 0 0 0 0 0 9.0835 -23.5507 0.0000 C 0 0 0 0 0 0 0 0 0 9.0829 -22.7282 0.0000 C 0 0 0 0 0 0 0 0 0 8.3754 -22.3213 0.0000 C 0 0 0 0 0 0 0 0 0 9.7984 -23.9643 0.0000 O 0 0 0 0 0 0 0 0 0 10.5140 -23.5522 0.0000 C 0 0 0 0 0 0 0 0 0 11.2287 -23.9657 0.0000 C 0 0 0 0 0 0 0 0 0 11.9377 -24.3753 0.0000 C 0 0 0 0 0 0 0 0 0 12.6487 -24.7882 0.0000 C 0 0 0 0 0 0 0 0 0 5.5358 -24.8158 0.0000 C 0 0 0 0 0 0 0 0 0 6.2504 -25.2297 0.0000 C 0 0 0 0 0 0 0 0 0 6.2449 -26.0557 0.0000 C 0 0 0 0 0 0 0 0 0 6.9587 -26.4695 0.0000 C 0 0 0 0 0 0 0 0 0 7.6755 -26.0575 0.0000 N 0 0 0 0 0 0 0 0 0 7.6739 -25.2274 0.0000 C 0 0 0 0 0 0 0 0 0 6.9595 -24.8173 0.0000 C 0 0 0 0 0 0 0 0 0 6.9572 -23.9915 0.0000 Cl 0 0 0 0 0 0 0 0 0 5.5280 -26.4655 0.0000 Cl 0 0 0 0 0 0 0 0 0 16 17 1 0 0 0 1 6 1 0 0 0 17 18 2 0 0 0 7 9 2 0 0 0 18 19 1 0 0 0 2 3 1 0 0 0 19 20 2 0 0 0 20 13 1 0 0 0 8 10 1 0 0 0 18 21 1 0 0 0 3 4 1 0 0 0 21 22 1 0 0 0 6 11 1 0 0 0 22 23 1 0 0 0 4 5 1 0 0 0 23 24 3 0 0 0 11 12 1 0 0 0 24 25 1 0 0 0 5 6 1 0 0 0 3 26 1 0 0 0 12 13 1 0 0 0 26 27 1 0 0 0 27 28 2 0 0 0 12 14 2 0 0 0 28 29 1 0 0 0 6 7 1 0 0 0 29 30 2 0 0 0 12 15 2 0 0 0 30 31 1 0 0 0 1 2 1 0 0 0 31 32 2 0 0 0 32 27 1 0 0 0 13 16 2 0 0 0 32 33 1 0 0 0 7 8 1 0 0 0 28 34 1 0 0 0 M END > 6.58670023591875 > 5.57186520597121 $$$$ 11280715072D 1 1.00000 0.00000 0 23 24 0 0 0 999 V2000 -0.2708 0.2125 0.0000 S 0 0 3 0 0 0 0 0 0 -0.7958 -0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0.2417 -0.0875 0.0000 C 0 0 3 0 0 0 0 0 0 0.7667 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 1.2792 -0.0875 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3208 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1083 1.0583 0.0000 O 0 0 0 0 0 0 0 0 0 -0.9208 0.8708 0.0000 O 0 0 0 0 0 0 0 0 0 -1.8333 -0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7958 -0.6792 0.0000 C 0 0 0 0 0 0 0 0 0 1.2792 -0.6875 0.0000 O 0 0 0 0 0 0 0 0 0 -1.8333 -0.6792 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3125 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 1.8000 0.2083 0.0000 N 0 0 0 0 0 0 0 0 0 2.3167 -0.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0.2417 -0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 -2.3500 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 -2.3500 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2833 -0.9875 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2833 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8083 -1.8792 0.0000 C 0 0 0 0 0 0 0 0 0 -2.8708 -0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 -2.8708 -0.6792 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 6 2 2 0 0 0 7 1 2 0 0 0 8 1 2 0 0 0 9 6 1 0 0 0 10 2 1 0 0 0 11 5 2 0 0 0 12 13 1 0 0 0 13 10 2 0 0 0 14 5 1 0 0 0 15 14 1 0 0 0 16 3 1 0 0 0 17 9 2 0 0 0 18 12 2 0 0 0 19 16 1 0 0 0 20 19 1 0 0 0 21 20 1 0 0 0 22 17 1 0 0 0 23 18 1 0 0 0 9 12 1 0 0 0 23 22 2 0 0 0 M END > 8.04575749056067 > 7.15490195998574 $$$$ 11280714472D 1 1.00000 0.00000 0 30 31 0 0 0 999 V2000 3.6917 -2.6417 0.0000 S 0 0 3 0 0 0 0 0 0 2.2667 -4.2917 0.0000 C 0 0 0 0 0 0 0 0 0 2.9792 -3.0542 0.0000 N 0 0 3 0 0 0 0 0 0 2.9792 -3.8792 0.0000 C 0 0 0 0 0 0 0 0 0 3.6917 -4.2917 0.0000 C 0 0 0 0 0 0 0 0 0 1.5417 -3.8667 0.0000 C 0 0 0 0 0 0 0 0 0 4.4125 -2.2292 0.0000 C 0 0 0 0 0 0 0 0 0 3.2750 -1.9250 0.0000 O 0 0 0 0 0 0 0 0 0 4.1042 -3.3667 0.0000 O 0 0 0 0 0 0 0 0 0 2.2667 -5.1250 0.0000 C 0 0 0 0 0 0 0 0 0 7.9917 -0.9750 0.0000 C 0 0 0 0 0 0 0 0 0 8.7125 -0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 3.6917 -5.1250 0.0000 C 0 0 0 0 0 0 0 0 0 2.9792 -5.5375 0.0000 C 0 0 0 0 0 0 0 0 0 1.5542 -3.0375 0.0000 O 0 0 0 0 0 0 0 0 0 0.8292 -4.2792 0.0000 N 0 0 0 0 0 0 0 0 0 5.1250 -2.6417 0.0000 C 0 0 0 0 0 0 0 0 0 4.4125 -1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 2.2542 -2.6417 0.0000 C 0 0 0 0 0 0 0 0 0 2.9792 -6.3625 0.0000 Br 0 0 0 0 0 0 0 0 0 5.8417 -1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 5.8417 -2.2292 0.0000 C 0 0 0 0 0 0 0 0 0 5.1250 -0.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0.1167 -3.8667 0.0000 O 0 0 0 0 0 0 0 0 0 4.4167 -3.8750 0.0000 C 0 0 0 0 0 0 0 0 0 7.2792 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 6.5625 -0.9792 0.0000 O 0 0 0 0 0 0 0 0 0 9.4292 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 10.1417 -0.5417 0.0000 C 0 0 0 0 0 0 0 0 0 10.8667 -0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 3 1 1 0 0 0 4 3 1 0 0 0 5 4 2 0 0 0 6 2 1 0 0 0 7 1 1 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 2 2 0 0 0 11 26 1 0 0 0 12 11 3 0 0 0 13 5 1 0 0 0 14 13 2 0 0 0 15 6 2 0 0 0 16 6 1 0 0 0 17 7 2 0 0 0 18 7 1 0 0 0 19 3 1 0 0 0 20 14 1 0 0 0 21 23 1 0 0 0 22 17 1 0 0 0 23 18 2 0 0 0 24 16 1 0 0 0 25 5 1 0 0 0 26 27 1 0 0 0 27 21 1 0 0 0 28 12 1 0 0 0 29 28 1 0 0 0 30 29 1 0 0 0 22 21 2 0 0 0 10 14 1 0 0 0 M END > 6.44611697335613 > 5.62635252779078 $$$$ 11280715512D 1 1.00000 0.00000 0 36 37 0 1 0 999 V2000 -0.9507 -20.7732 0.0000 C 0 0 0 0 0 0 0 0 0 -0.9519 -21.5999 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2376 -22.0126 0.0000 C 0 0 0 0 0 0 0 0 0 0.4784 -21.5995 0.0000 C 0 0 0 0 0 0 0 0 0 0.4755 -20.7695 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2394 -20.3607 0.0000 C 0 0 0 0 0 0 0 0 0 -1.6705 -22.0241 0.0000 S 0 0 3 0 0 0 0 0 0 -2.3942 -22.4471 0.0000 N 0 0 3 0 0 0 0 0 0 -1.2452 -22.7444 0.0000 O 0 0 0 0 0 0 0 0 0 -2.0980 -21.3028 0.0000 O 0 0 0 0 0 0 0 0 0 -3.1182 -22.0414 0.0000 C 0 0 2 0 0 0 0 0 0 -3.8273 -22.4609 0.0000 C 0 0 3 0 0 0 0 0 0 -3.8187 -23.2917 0.0000 S 0 0 0 0 0 0 0 0 0 -3.0864 -23.6932 0.0000 C 0 0 0 0 0 0 0 0 0 -2.3794 -23.2763 0.0000 C 0 0 0 0 0 0 0 0 0 -3.1332 -21.2171 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4310 -20.7927 0.0000 O 0 0 0 0 0 0 0 0 0 -3.8588 -20.8130 0.0000 N 0 0 0 0 0 0 0 0 0 -3.8697 -19.9885 0.0000 O 0 0 0 0 0 0 0 0 0 1.1927 -20.3485 0.0000 O 0 0 0 0 0 0 0 0 0 1.9067 -20.7662 0.0000 C 0 0 0 0 0 0 0 0 0 1.8966 -21.5915 0.0000 C 0 0 0 0 0 0 0 0 0 1.8923 -22.4221 0.0000 C 0 0 0 0 0 0 0 0 0 1.8832 -23.2541 0.0000 C 0 0 0 0 0 0 0 0 0 -4.0430 -21.6643 0.0000 C 0 0 0 0 0 0 0 0 0 -4.6510 -22.4138 0.0000 C 0 0 0 0 0 0 0 0 0 2.5926 -23.6741 0.0000 C 0 0 0 0 0 0 0 0 0 3.3110 -23.2698 0.0000 C 0 0 0 0 0 0 0 0 0 4.0204 -23.6898 0.0000 N 0 0 0 0 0 0 0 0 0 4.7389 -23.2854 0.0000 C 0 0 0 0 0 0 0 0 0 5.4484 -23.7055 0.0000 O 0 0 0 0 0 0 0 0 0 4.7479 -22.4610 0.0000 O 0 0 0 0 0 0 0 0 0 4.0385 -22.0410 0.0000 C 0 0 3 0 0 0 0 0 0 3.3185 -21.6268 0.0000 C 0 0 0 0 0 0 0 0 0 4.4541 -21.3290 0.0000 C 0 0 0 0 0 0 0 0 0 3.6284 -22.7561 0.0000 C 0 0 0 0 0 0 0 0 0 16 18 1 0 0 0 7 9 2 0 0 0 18 19 1 0 0 0 4 5 1 0 0 0 5 20 1 0 0 0 7 10 2 0 0 0 20 21 1 0 0 0 8 11 1 0 0 0 21 22 1 0 0 0 2 3 1 0 0 0 22 23 3 0 0 0 5 6 2 0 0 0 23 24 1 0 0 0 6 1 1 0 0 0 12 25 1 0 0 0 1 2 2 0 0 0 12 26 1 0 0 0 2 7 1 0 0 0 24 27 1 0 0 0 8 15 1 0 0 0 27 28 1 0 0 0 11 12 1 6 0 0 28 29 1 0 0 0 12 13 1 0 0 0 29 30 1 0 0 0 13 14 1 0 0 0 30 31 2 0 0 0 14 15 1 0 0 0 30 32 1 0 0 0 3 4 2 0 0 0 32 33 1 0 0 0 11 16 1 0 0 0 33 34 1 0 0 0 7 8 1 0 0 0 33 35 1 0 0 0 16 17 2 0 0 0 33 36 1 0 0 0 M END > 8.69897000433602 > 7.3767507096021 $$$$ 11280715202D 1 1.00000 0.00000 0 30 32 0 0 0 999 V2000 -1.4708 1.4375 0.0000 S 0 0 3 0 0 0 0 0 0 -2.9083 1.4500 0.0000 C 0 0 3 0 0 0 0 0 0 -2.9083 -0.2125 0.0000 S 0 0 3 0 0 0 0 0 0 -2.1958 1.8625 0.0000 N 0 0 0 0 0 0 0 0 0 -3.6208 1.8625 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7500 1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 -3.6250 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 -2.1875 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0458 2.1583 0.0000 O 0 0 0 0 0 0 0 0 0 -1.8958 0.7208 0.0000 O 0 0 0 0 0 0 0 0 0 -3.7083 -0.4250 0.0000 O 0 0 0 0 0 0 0 0 0 -2.1125 -0.4250 0.0000 O 0 0 0 0 0 0 0 0 0 -2.1958 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 -3.6250 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 -3.6208 2.6958 0.0000 O 0 0 0 0 0 0 0 0 0 -4.3333 1.4500 0.0000 N 0 0 0 0 0 0 0 0 0 1.3917 -0.2167 0.0000 O 0 0 0 0 0 0 0 0 0 -0.7500 0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0375 1.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0.6792 0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 1.3917 -1.0542 0.0000 C 0 0 0 0 0 0 0 0 0 1.3917 -2.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0.6792 1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0375 -0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 1.3875 -3.5250 0.0000 F 0 0 0 0 0 0 0 0 0 -4.3333 0.6208 0.0000 O 0 0 0 0 0 0 0 0 0 2.1042 -1.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0.6750 -1.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0.6750 -2.2875 0.0000 C 0 0 0 0 0 0 0 0 0 2.1042 -2.2792 0.0000 C 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 3 13 1 0 0 0 4 1 1 0 0 0 5 2 1 0 0 0 6 1 1 0 0 0 7 2 1 0 0 0 8 2 1 0 0 0 9 1 2 0 0 0 10 1 2 0 0 0 11 3 2 0 0 0 12 3 2 0 0 0 13 8 1 0 0 0 14 7 1 0 0 0 15 5 2 0 0 0 16 5 1 0 0 0 17 20 1 0 0 0 18 6 2 0 0 0 19 6 1 0 0 0 20 23 1 0 0 0 21 17 1 0 0 0 22 29 2 0 0 0 23 19 2 0 0 0 24 18 1 0 0 0 25 22 1 0 0 0 26 16 1 0 0 0 27 21 1 0 0 0 28 21 2 0 0 0 29 28 1 0 0 0 30 27 2 0 0 0 20 24 2 0 0 0 3 14 1 0 0 0 22 30 1 0 0 0 M END > 8.69897000433602 > 6.25963731050576 $$$$ Mrv0541 04051115152D 26 27 0 0 0 0 999 V2000 -0.8178 5.5729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8178 4.7479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8178 3.9229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8178 3.0979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1033 2.6854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1033 1.8604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6112 1.4479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6112 0.6229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1033 0.2104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8178 0.6229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8178 1.4479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1033 -0.6146 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.9283 -0.6146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7217 -0.6146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1033 -1.4396 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8178 -1.8521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8178 -2.6771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1033 -3.0896 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6112 -2.6771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6112 -1.8521 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3256 -1.4396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3256 -0.6146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0401 -1.8521 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7546 -1.4396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0484 -3.3767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4357 -2.7059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 3 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 6 5 1 0 0 0 0 6 7 2 0 0 0 0 11 6 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 11 10 2 0 0 0 0 13 12 2 0 0 0 0 14 12 2 0 0 0 0 15 12 1 0 0 0 0 16 15 1 0 0 0 0 20 15 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 19 18 1 0 0 0 0 19 20 1 0 0 0 0 19 25 1 0 0 0 0 19 26 1 0 0 0 0 20 21 1 1 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 M END > 8.61978875828839 > 8.18045606445813 $$$$ 11280715172D 1 1.00000 0.00000 0 31 33 0 1 0 999 V2000 0.9042 -1.3750 0.0000 S 0 0 3 0 0 0 0 0 0 0.8667 -2.0375 0.0000 N 0 0 3 0 0 0 0 0 0 1.2917 -2.4625 0.0000 C 0 0 2 0 0 0 0 0 0 1.2917 -3.0625 0.0000 C 0 0 3 0 0 0 0 0 0 0.3417 -2.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0.3667 -3.0625 0.0000 C 0 0 3 0 0 0 0 0 0 1.8667 -2.3000 0.0000 C 0 0 0 0 0 0 0 0 0 1.0292 -0.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0.3292 -1.4042 0.0000 O 0 0 0 0 0 0 0 0 0 1.4417 -1.4042 0.0000 O 0 0 0 0 0 0 0 0 0 1.8667 -1.8167 0.0000 O 0 0 0 0 0 0 0 0 0 2.3792 -2.6000 0.0000 N 0 0 0 0 0 0 0 0 0 1.6167 -0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0.6542 -0.3417 0.0000 C 0 0 0 0 0 0 0 0 0 1.7042 -3.4875 0.0000 C 0 0 0 0 0 0 0 0 0 1.7042 -4.0875 0.0000 O 0 0 0 0 0 0 0 0 0 1.4667 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 1.8417 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0.8792 0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1458 -3.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0.1417 -3.5417 0.0000 C 0 0 0 0 0 0 0 0 0 2.9792 -2.6000 0.0000 O 0 0 0 0 0 0 0 0 0 1.6792 0.8625 0.0000 O 0 0 0 0 0 0 0 0 0 2.2167 -4.9875 0.0000 C 0 0 0 0 0 0 0 0 0 2.2167 -4.3792 0.0000 C 0 0 0 0 0 0 0 0 0 2.2792 0.9625 0.0000 C 0 0 0 0 0 0 0 0 0 2.7417 -5.2792 0.0000 C 0 0 0 0 0 0 0 0 0 1.6917 -5.2792 0.0000 C 0 0 0 0 0 0 0 0 0 2.7417 -5.8792 0.0000 C 0 0 0 0 0 0 0 0 0 1.6917 -5.8792 0.0000 C 0 0 0 0 0 0 0 0 0 2.2167 -6.1792 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 3 4 1 1 0 0 5 2 1 0 0 0 6 5 1 0 0 0 7 3 1 0 0 0 8 1 1 0 0 0 9 1 2 0 0 0 10 1 2 0 0 0 11 7 2 0 0 0 12 7 1 0 0 0 13 8 2 0 0 0 14 8 1 0 0 0 15 4 1 0 0 0 16 15 1 0 0 0 17 19 1 0 0 0 18 13 1 0 0 0 19 14 2 0 0 0 20 6 1 0 0 0 21 6 1 0 0 0 22 12 1 0 0 0 23 17 1 0 0 0 24 25 1 0 0 0 25 16 1 0 0 0 26 23 1 0 0 0 27 24 1 0 0 0 28 24 2 0 0 0 29 27 2 0 0 0 30 28 1 0 0 0 31 30 2 0 0 0 17 18 2 0 0 0 4 6 1 0 0 0 29 31 1 0 0 0 M END > 7.35457773065091 > 5.79048498545737 $$$$ 11280715152D 1 1.00000 0.00000 0 33 35 0 0 0 999 V2000 1.9542 -1.5542 0.0000 S 0 0 3 0 0 0 0 0 0 1.6625 -2.3375 0.0000 N 0 0 3 0 0 0 0 0 0 0.6250 -3.8667 0.0000 N 0 0 3 0 0 0 0 0 0 0.8500 -2.4000 0.0000 C 0 0 3 0 0 0 0 0 0 0.0125 -4.4167 0.0000 S 0 0 3 0 0 0 0 0 0 0.3792 -3.0792 0.0000 C 0 0 0 0 0 0 0 0 0 2.2292 -2.9375 0.0000 C 0 0 0 0 0 0 0 0 0 1.3917 -4.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0.4375 -1.6750 0.0000 C 0 0 0 0 0 0 0 0 0 2.1042 -3.7542 0.0000 C 0 0 0 0 0 0 0 0 0 2.2417 -0.7750 0.0000 C 0 0 0 0 0 0 0 0 0 2.7292 -1.8417 0.0000 O 0 0 0 0 0 0 0 0 0 1.1750 -1.2667 0.0000 O 0 0 0 0 0 0 0 0 0 2.8375 2.9625 0.0000 C 0 0 0 0 0 0 0 0 0 3.1167 3.7458 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5458 -3.8042 0.0000 O 0 0 0 0 0 0 0 0 0 -0.6000 -4.9750 0.0000 O 0 0 0 0 0 0 0 0 0 0.8542 -0.9542 0.0000 O 0 0 0 0 0 0 0 0 0 -0.3875 -1.6667 0.0000 N 0 0 0 0 0 0 0 0 0 1.7167 -0.1417 0.0000 C 0 0 0 0 0 0 0 0 0 3.0542 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0.5667 -5.0292 0.0000 C 0 0 0 0 0 0 0 0 0 2.8042 0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 2.0000 0.6250 0.0000 C 0 0 0 0 0 0 0 0 0 3.3375 0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8000 -0.9542 0.0000 O 0 0 0 0 0 0 0 0 0 2.8250 -4.1667 0.0000 C 0 0 0 0 0 0 0 0 0 2.5542 2.1875 0.0000 C 0 0 0 0 0 0 0 0 0 1.3917 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 3.0917 1.5583 0.0000 O 0 0 0 0 0 0 0 0 0 3.3917 4.5167 0.0000 C 0 0 0 0 0 0 0 0 0 2.8250 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 2.1042 -5.4125 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 6 1 0 0 0 4 2 1 0 0 0 5 3 1 0 0 0 6 4 1 0 0 0 7 2 1 0 0 0 8 10 1 0 0 0 9 4 1 0 0 0 10 7 1 0 0 0 11 1 1 0 0 0 12 1 2 0 0 0 13 1 2 0 0 0 14 28 1 0 0 0 15 14 3 0 0 0 16 5 2 0 0 0 17 5 2 0 0 0 18 9 2 0 0 0 19 9 1 0 0 0 20 11 1 0 0 0 21 11 2 0 0 0 22 5 1 0 0 0 23 25 2 0 0 0 24 20 2 0 0 0 25 21 1 0 0 0 26 19 1 0 0 0 27 10 2 0 0 0 28 30 1 0 0 0 29 8 2 0 0 0 30 23 1 0 0 0 31 15 1 0 0 0 32 27 1 0 0 0 33 32 2 0 0 0 24 23 1 0 0 0 8 3 1 0 0 0 29 33 1 0 0 0 M END > 7.46092390120722 > 6.58502665202918 $$$$ 11280715232D 1 1.00000 0.00000 0 18 18 0 0 0 999 V2000 5.1000 -2.9667 0.0000 S 0 0 3 0 0 0 0 0 0 4.4042 -2.5625 0.0000 N 0 0 0 0 0 0 0 0 0 3.0042 -2.5625 0.0000 C 0 0 0 0 0 0 0 0 0 3.7000 -2.9667 0.0000 C 0 0 3 0 0 0 0 0 0 5.8167 -3.3542 0.0000 C 0 0 0 0 0 0 0 0 0 4.3667 -3.6750 0.0000 O 0 0 0 0 0 0 0 0 0 5.8000 -2.2292 0.0000 O 0 0 0 0 0 0 0 0 0 2.3042 -2.9667 0.0000 O 0 0 0 0 0 0 0 0 0 3.0042 -1.7542 0.0000 N 0 0 0 0 0 0 0 0 0 5.8167 -4.1625 0.0000 C 0 0 0 0 0 0 0 0 0 6.4917 -2.9292 0.0000 C 0 0 0 0 0 0 0 0 0 7.2292 -4.1292 0.0000 C 0 0 0 0 0 0 0 0 0 7.2042 -3.3042 0.0000 C 0 0 0 0 0 0 0 0 0 6.5292 -4.5500 0.0000 C 0 0 0 0 0 0 0 0 0 2.3042 -1.3500 0.0000 O 0 0 0 0 0 0 0 0 0 3.7000 -3.7750 0.0000 C 0 0 0 0 0 0 0 0 0 7.9375 -4.5167 0.0000 O 0 0 0 0 0 0 0 0 0 7.9625 -5.3250 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 4 1 0 0 0 4 2 1 0 0 0 5 1 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 3 2 0 0 0 9 3 1 0 0 0 10 5 2 0 0 0 11 5 1 0 0 0 12 13 1 0 0 0 13 11 2 0 0 0 14 10 1 0 0 0 15 9 1 0 0 0 16 4 1 0 0 0 17 12 1 0 0 0 18 17 1 0 0 0 14 12 2 0 0 0 M END > 6.88605664769316 > 6.88605664769316 $$$$ 11280715512D 1 1.00000 0.00000 0 30 31 0 1 0 999 V2000 4.9781 -2.2834 0.0000 C 0 0 0 0 0 0 0 0 0 4.9769 -3.1098 0.0000 C 0 0 0 0 0 0 0 0 0 5.6908 -3.5221 0.0000 C 0 0 0 0 0 0 0 0 0 6.4064 -3.1093 0.0000 C 0 0 0 0 0 0 0 0 0 6.4035 -2.2798 0.0000 C 0 0 0 0 0 0 0 0 0 5.6890 -1.8711 0.0000 C 0 0 0 0 0 0 0 0 0 4.2588 -3.5337 0.0000 S 0 0 3 0 0 0 0 0 0 3.5354 -3.9563 0.0000 N 0 0 3 0 0 0 0 0 0 4.6837 -4.2535 0.0000 O 0 0 0 0 0 0 0 0 0 3.8315 -2.8127 0.0000 O 0 0 0 0 0 0 0 0 0 2.8119 -3.5509 0.0000 C 0 0 2 0 0 0 0 0 0 2.1031 -3.9702 0.0000 C 0 0 3 0 0 0 0 0 0 2.1117 -4.8006 0.0000 S 0 0 0 0 0 0 0 0 0 2.8437 -5.2017 0.0000 C 0 0 2 0 0 0 0 0 0 3.5502 -4.7851 0.0000 C 0 0 0 0 0 0 0 0 0 2.7968 -2.7270 0.0000 C 0 0 0 0 0 0 0 0 0 3.4986 -2.3028 0.0000 O 0 0 0 0 0 0 0 0 0 2.0716 -2.3231 0.0000 N 0 0 0 0 0 0 0 0 0 2.0607 -1.4992 0.0000 O 0 0 0 0 0 0 0 0 0 7.1204 -1.8590 0.0000 O 0 0 0 0 0 0 0 0 0 7.8339 -2.2764 0.0000 C 0 0 0 0 0 0 0 0 0 7.8238 -3.1013 0.0000 C 0 0 0 0 0 0 0 0 0 7.8196 -3.9314 0.0000 C 0 0 0 0 0 0 0 0 0 7.8105 -4.7629 0.0000 C 0 0 0 0 0 0 0 0 0 1.8875 -3.1740 0.0000 C 0 0 0 0 0 0 0 0 0 1.2799 -3.9230 0.0000 C 0 0 0 0 0 0 0 0 0 2.8579 -6.0274 0.0000 C 0 0 0 0 0 0 0 0 0 2.1506 -6.4521 0.0000 C 0 0 0 0 0 0 0 0 0 1.4275 -6.0550 0.0000 N 0 0 0 0 0 0 0 0 0 2.1632 -7.2800 0.0000 O 0 0 0 0 0 0 0 0 0 14 15 1 0 0 0 3 4 2 0 0 0 11 16 1 0 0 0 7 8 1 0 0 0 16 17 2 0 0 0 16 18 1 0 0 0 7 9 2 0 0 0 18 19 1 0 0 0 4 5 1 0 0 0 5 20 1 0 0 0 7 10 2 0 0 0 20 21 1 0 0 0 8 11 1 0 0 0 21 22 1 0 0 0 2 3 1 0 0 0 22 23 3 0 0 0 5 6 2 0 0 0 23 24 1 0 0 0 6 1 1 0 0 0 12 25 1 0 0 0 1 2 2 0 0 0 12 26 1 0 0 0 2 7 1 0 0 0 8 15 1 0 0 0 11 12 1 6 0 0 14 27 1 6 0 0 27 28 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 28 29 1 0 0 0 28 30 2 0 0 0 M END > 7.53760200210104 > 7.45593195564972 $$$$ 11280715002D 1 1.00000 0.00000 0 39 41 0 0 0 999 V2000 5.2667 -5.2667 0.0000 S 0 0 3 0 0 0 0 0 0 7.8625 -7.9750 0.0000 S 0 0 3 0 0 0 0 0 0 4.7417 -4.9750 0.0000 N 0 0 3 0 0 0 0 0 0 7.8625 -7.3667 0.0000 N 0 0 0 0 0 0 0 0 0 6.8292 -3.1625 0.0000 N 0 3 0 0 0 0 0 0 0 7.3417 -7.0667 0.0000 C 0 0 0 0 0 0 0 0 0 4.2167 -5.2667 0.0000 C 0 0 0 0 0 0 0 0 0 3.6917 -4.9750 0.0000 C 0 0 0 0 0 0 0 0 0 5.7792 -5.5667 0.0000 C 0 0 0 0 0 0 0 0 0 7.8542 -8.5792 0.0000 C 0 0 0 0 0 0 0 0 0 4.9667 -5.7917 0.0000 O 0 0 0 0 0 0 0 0 0 5.5750 -4.7500 0.0000 O 0 0 0 0 0 0 0 0 0 6.3167 -3.4625 0.0000 C 0 0 0 0 0 0 0 0 0 8.4667 -7.9792 0.0000 O 0 0 0 0 0 0 0 0 0 7.2542 -7.9750 0.0000 O 0 0 0 0 0 0 0 0 0 7.3375 -6.4625 0.0000 N 0 0 0 0 0 0 0 0 0 7.3625 -3.4625 0.0000 O 0 5 0 0 0 0 0 0 0 4.7417 -4.3667 0.0000 C 0 0 0 0 0 0 0 0 0 6.8292 -2.5542 0.0000 O 0 0 0 0 0 0 0 0 0 6.8167 -7.3792 0.0000 O 0 0 0 0 0 0 0 0 0 3.1792 -5.2667 0.0000 O 0 0 0 0 0 0 0 0 0 3.6917 -4.3667 0.0000 N 0 0 0 0 0 0 0 0 0 6.3000 -5.2667 0.0000 C 0 0 0 0 0 0 0 0 0 5.7792 -6.1667 0.0000 C 0 0 0 0 0 0 0 0 0 8.3792 -8.8792 0.0000 C 0 0 0 0 0 0 0 0 0 7.3375 -8.8750 0.0000 C 0 0 0 0 0 0 0 0 0 6.3167 -4.0667 0.0000 C 0 0 0 0 0 0 0 0 0 5.7875 -3.1625 0.0000 C 0 0 0 0 0 0 0 0 0 6.8167 -6.1667 0.0000 C 0 0 0 0 0 0 0 0 0 5.2667 -4.0667 0.0000 C 0 0 0 0 0 0 0 0 0 6.3000 -6.4625 0.0000 C 0 0 0 0 0 0 0 0 0 6.8167 -5.5667 0.0000 C 0 0 0 0 0 0 0 0 0 5.2667 -3.4625 0.0000 C 0 0 0 0 0 0 0 0 0 5.7875 -4.3667 0.0000 C 0 0 0 0 0 0 0 0 0 7.3292 -9.4667 0.0000 C 0 0 0 0 0 0 0 0 0 8.3750 -9.4792 0.0000 C 0 0 0 0 0 0 0 0 0 7.8500 -9.7792 0.0000 C 0 0 0 0 0 0 0 0 0 3.1792 -4.0667 0.0000 O 0 0 0 0 0 0 0 0 0 7.8417 -10.3875 0.0000 C 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 3 1 1 0 0 0 4 6 1 0 0 0 5 13 1 0 0 0 6 16 1 0 0 0 7 3 1 0 0 0 8 7 1 0 0 0 9 1 1 0 0 0 10 2 1 0 0 0 11 1 2 0 0 0 12 1 2 0 0 0 13 27 2 0 0 0 14 2 2 0 0 0 15 2 2 0 0 0 16 29 1 0 0 0 17 5 1 0 0 0 18 3 1 0 0 0 19 5 2 0 0 0 20 6 2 0 0 0 21 8 2 0 0 0 22 8 1 0 0 0 23 9 1 0 0 0 24 9 2 0 0 0 25 10 1 0 0 0 26 10 2 0 0 0 27 34 1 0 0 0 28 33 2 0 0 0 29 31 2 0 0 0 30 18 1 0 0 0 31 24 1 0 0 0 32 23 2 0 0 0 33 30 1 0 0 0 34 30 2 0 0 0 35 26 1 0 0 0 36 25 2 0 0 0 37 35 2 0 0 0 38 22 1 0 0 0 39 37 1 0 0 0 29 32 1 0 0 0 13 28 1 0 0 0 36 37 1 0 0 0 M CHG 2 5 1 17 -1 M END > 7.72124639904717 > 7.72124639904717 $$$$ 11280715002D 1 1.00000 0.00000 0 28 29 0 0 0 999 V2000 5.7000 -6.8792 0.0000 S 0 0 3 0 0 0 0 0 0 6.2167 -7.1750 0.0000 C 0 0 0 0 0 0 0 0 0 5.1750 -6.5750 0.0000 N 0 0 3 0 0 0 0 0 0 7.2625 -4.7625 0.0000 N 0 3 0 0 0 0 0 0 0 6.7292 -6.8750 0.0000 C 0 0 0 0 0 0 0 0 0 4.6542 -6.8792 0.0000 C 0 0 0 0 0 0 0 0 0 7.2625 -7.1667 0.0000 C 0 0 0 0 0 0 0 0 0 6.2167 -7.7792 0.0000 C 0 0 0 0 0 0 0 0 0 4.1292 -6.5750 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -7.3917 0.0000 O 0 0 0 0 0 0 0 0 0 6.0042 -6.3542 0.0000 O 0 0 0 0 0 0 0 0 0 7.2625 -7.7792 0.0000 C 0 0 0 0 0 0 0 0 0 6.7500 -5.0667 0.0000 C 0 0 0 0 0 0 0 0 0 7.7917 -5.0667 0.0000 O 0 5 0 0 0 0 0 0 0 5.1750 -5.9667 0.0000 C 0 0 0 0 0 0 0 0 0 6.7417 -8.0792 0.0000 C 0 0 0 0 0 0 0 0 0 7.2625 -4.1542 0.0000 O 0 0 0 0 0 0 0 0 0 3.6042 -6.8792 0.0000 O 0 0 0 0 0 0 0 0 0 4.1292 -5.9667 0.0000 N 0 0 0 0 0 0 0 0 0 6.2167 -4.7625 0.0000 C 0 0 0 0 0 0 0 0 0 6.7500 -5.6667 0.0000 C 0 0 0 0 0 0 0 0 0 6.7292 -6.2667 0.0000 O 0 0 0 0 0 0 0 0 0 7.7875 -6.8667 0.0000 Cl 0 0 0 0 0 0 0 0 0 5.7000 -5.6667 0.0000 C 0 0 0 0 0 0 0 0 0 6.7417 -8.6875 0.0000 Cl 0 0 0 0 0 0 0 0 0 6.2167 -5.9667 0.0000 C 0 0 0 0 0 0 0 0 0 5.7000 -5.0667 0.0000 C 0 0 0 0 0 0 0 0 0 3.6042 -5.6667 0.0000 O 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 13 1 0 0 0 5 2 1 0 0 0 6 3 1 0 0 0 7 5 2 0 0 0 8 2 2 0 0 0 9 6 1 0 0 0 10 1 2 0 0 0 11 1 2 0 0 0 12 16 2 0 0 0 13 20 1 0 0 0 14 4 1 0 0 0 15 3 1 0 0 0 16 8 1 0 0 0 17 4 2 0 0 0 18 9 2 0 0 0 19 9 1 0 0 0 20 27 2 0 0 0 21 26 1 0 0 0 22 5 1 0 0 0 23 7 1 0 0 0 24 15 1 0 0 0 25 16 1 0 0 0 26 24 2 0 0 0 27 24 1 0 0 0 28 19 1 0 0 0 7 12 1 0 0 0 21 13 2 0 0 0 M CHG 2 4 1 14 -1 M END > 8.04575749056067 > 8.04575749056067 $$$$ 11280715432D 1 1.00000 0.00000 0 28 29 0 0 0 999 V2000 -0.8250 1.0083 0.0000 S 0 0 3 0 0 0 0 0 0 -0.8250 0.1833 0.0000 N 0 0 3 0 0 0 0 0 0 -1.5375 -0.2292 0.0000 C 0 0 3 0 0 0 0 0 0 -1.0958 -1.6542 0.0000 N 0 0 3 0 0 0 0 0 0 -2.2250 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 -1.6625 -1.0542 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3875 -2.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0.0000 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 -1.6500 1.0083 0.0000 O 0 0 0 0 0 0 0 0 0 -0.8250 1.8333 0.0000 O 0 0 0 0 0 0 0 0 0 3.7167 0.2958 0.0000 C 0 0 0 0 0 0 0 0 0 4.5417 0.2958 0.0000 C 0 0 0 0 0 0 0 0 0 -2.1625 1.0708 0.0000 O 0 0 0 0 0 0 0 0 0 -2.2000 -2.5792 0.0000 O 0 0 0 0 0 0 0 0 0 -2.9708 -0.1167 0.0000 N 0 0 0 0 0 0 0 0 0 -0.0583 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0.4125 0.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0.4125 1.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0.1875 -0.9167 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2833 -1.5917 0.0000 C 0 0 0 0 0 0 0 0 0 1.6500 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 1.2375 0.2833 0.0000 C 0 0 0 0 0 0 0 0 0 1.2375 1.7208 0.0000 C 0 0 0 0 0 0 0 0 0 -3.6500 0.3458 0.0000 O 0 0 0 0 0 0 0 0 0 2.8875 0.2958 0.0000 C 0 0 0 0 0 0 0 0 0 2.4750 1.0083 0.0000 O 0 0 0 0 0 0 0 0 0 -0.8625 -3.0667 0.0000 C 0 0 0 0 0 0 0 0 0 5.3667 0.2958 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 6 1 0 0 0 5 3 1 0 0 0 6 3 1 0 0 0 7 4 1 0 0 0 8 1 1 0 0 0 9 1 2 0 0 0 10 1 2 0 0 0 11 25 1 0 0 0 12 11 3 0 0 0 13 5 2 0 0 0 14 7 2 0 0 0 15 5 1 0 0 0 16 2 1 0 0 0 17 8 2 0 0 0 18 8 1 0 0 0 19 16 1 0 0 0 20 19 1 0 0 0 21 23 1 0 0 0 22 17 1 0 0 0 23 18 2 0 0 0 24 15 1 0 0 0 25 26 1 0 0 0 26 21 1 0 0 0 27 7 1 0 0 0 28 12 1 0 0 0 21 22 2 0 0 0 20 4 1 0 0 0 M END > 6.51570016065321 > 5.67427914198059 $$$$ 11280715302D 1 1.00000 0.00000 0 27 28 0 1 0 999 V2000 4.6917 -8.5792 0.0000 S 0 0 3 0 0 0 0 0 0 5.0917 -5.9292 0.0000 S 0 0 3 0 0 0 0 0 0 5.0750 -6.7542 0.0000 N 0 0 3 0 0 0 0 0 0 4.1292 -7.9125 0.0000 C 0 0 3 0 0 0 0 0 0 4.3292 -7.1042 0.0000 C 0 0 2 0 0 0 0 0 0 5.4667 -8.5792 0.0000 C 0 0 0 0 0 0 0 0 0 3.6917 -6.5792 0.0000 C 0 0 0 0 0 0 0 0 0 5.8250 -7.1167 0.0000 C 0 0 0 0 0 0 0 0 0 5.0792 -5.1042 0.0000 C 0 0 0 0 0 0 0 0 0 3.9750 -8.9917 0.0000 O 0 0 0 0 0 0 0 0 0 4.9000 -9.3792 0.0000 O 0 0 0 0 0 0 0 0 0 6.0000 -7.9292 0.0000 C 0 0 1 0 0 0 0 0 0 4.2542 -5.9167 0.0000 O 0 0 0 0 0 0 0 0 0 5.9042 -5.9292 0.0000 O 0 0 0 0 0 0 0 0 0 3.6792 -5.7542 0.0000 O 0 0 0 0 0 0 0 0 0 2.9417 -6.9292 0.0000 N 0 0 0 0 0 0 0 0 0 5.7917 -4.6792 0.0000 C 0 0 0 0 0 0 0 0 0 4.3625 -4.7000 0.0000 C 0 0 0 0 0 0 0 0 0 3.5417 -8.4917 0.0000 C 0 0 0 0 0 0 0 0 0 3.3292 -7.6875 0.0000 C 0 0 0 0 0 0 0 0 0 5.0750 -3.4417 0.0000 C 0 0 0 0 0 0 0 0 0 6.8042 -8.1167 0.0000 O 0 0 0 0 0 0 0 0 0 5.7875 -3.8542 0.0000 C 0 0 0 0 0 0 0 0 0 4.3500 -3.8750 0.0000 C 0 0 0 0 0 0 0 0 0 2.2667 -6.4667 0.0000 O 0 0 0 0 0 0 0 0 0 5.0542 -2.6167 0.0000 O 0 0 0 0 0 0 0 0 0 5.7667 -2.2042 0.0000 C 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 3 5 1 0 0 0 4 1 1 0 0 0 5 4 1 0 0 0 6 1 1 0 0 0 5 7 1 6 0 0 8 12 1 0 0 0 9 2 1 0 0 0 10 1 2 0 0 0 11 1 2 0 0 0 12 6 1 0 0 0 13 2 2 0 0 0 14 2 2 0 0 0 15 7 2 0 0 0 16 7 1 0 0 0 17 9 2 0 0 0 18 9 1 0 0 0 19 4 1 0 0 0 20 4 1 0 0 0 21 24 1 0 0 0 12 22 1 1 0 0 23 17 1 0 0 0 24 18 2 0 0 0 25 16 1 0 0 0 26 21 1 0 0 0 27 26 1 0 0 0 8 3 1 0 0 0 21 23 2 0 0 0 M END > 8.88605664769316 > 8.72124639904717 $$$$ 11290715122D 1 1.00000 0.00000 0 32 34 0 0 0 999 V2000 -0.3766 -1.2206 0.0000 C 0 0 3 0 0 0 0 0 0 0.1523 -1.8516 0.0000 C 0 0 0 0 0 0 0 0 0 0.9617 -1.7147 0.0000 C 0 0 0 0 0 0 0 0 0 1.2511 -0.9429 0.0000 N 0 0 3 0 0 0 0 0 0 0.7254 -0.3071 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0899 -0.4435 0.0000 C 0 0 0 0 0 0 0 0 0 -3.4448 0.5605 0.0000 C 0 0 0 0 0 0 0 0 0 -3.4523 -0.2701 0.0000 C 0 0 0 0 0 0 0 0 0 -2.7344 -0.6845 0.0000 C 0 0 0 0 0 0 0 0 0 -2.0197 -0.2719 0.0000 C 0 0 0 0 0 0 0 0 0 -2.0197 0.5599 0.0000 C 0 0 0 0 0 0 0 0 0 -2.7328 0.9715 0.0000 C 0 0 0 0 0 0 0 0 0 -4.1604 0.9736 0.0000 O 0 0 0 0 0 0 0 0 0 -4.1604 1.8018 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3044 -0.6848 0.0000 S 0 0 3 0 0 0 0 0 0 -0.8919 0.0295 0.0000 O 0 0 0 0 0 0 0 0 0 -1.7169 -1.3993 0.0000 O 0 0 0 0 0 0 0 0 0 -1.0672 -2.0443 0.0000 C 0 0 0 0 0 0 0 0 0 -1.8797 -1.9012 0.0000 O 0 0 0 0 0 0 0 0 0 -0.7850 -2.8196 0.0000 N 0 0 0 0 0 0 0 0 0 -1.3153 -3.4515 0.0000 O 0 0 0 0 0 0 0 0 0 2.0647 -0.8066 0.0000 C 0 0 0 0 0 0 0 0 0 2.5896 -1.4431 0.0000 C 0 0 0 0 0 0 0 0 0 2.2974 -2.2123 0.0000 C 0 0 0 0 0 0 0 0 0 2.8208 -2.8489 0.0000 C 0 0 0 0 0 0 0 0 0 3.6354 -2.7136 0.0000 C 0 0 0 0 0 0 0 0 0 3.9240 -1.9368 0.0000 C 0 0 0 0 0 0 0 0 0 3.3986 -1.3030 0.0000 C 0 0 0 0 0 0 0 0 0 4.1604 -3.3499 0.0000 Br 0 0 0 0 0 0 0 0 0 -3.4424 2.2162 0.0000 C 0 0 0 0 0 0 0 0 0 -3.4424 3.0367 0.0000 C 0 0 0 0 0 0 0 0 0 -2.7239 3.4515 0.0000 C 0 0 0 0 0 0 0 0 0 15 16 2 0 0 0 1 6 1 0 0 0 15 17 2 0 0 0 15 1 1 0 0 0 8 9 1 0 0 0 1 18 1 0 0 0 2 3 1 0 0 0 18 19 2 0 0 0 9 10 2 0 0 0 18 20 1 0 0 0 3 4 1 0 0 0 20 21 1 0 0 0 10 11 1 0 0 0 4 22 1 0 0 0 4 5 1 0 0 0 22 23 1 0 0 0 11 12 2 0 0 0 23 24 2 0 0 0 12 7 1 0 0 0 24 25 1 0 0 0 5 6 1 0 0 0 25 26 2 0 0 0 7 13 1 0 0 0 26 27 1 0 0 0 27 28 2 0 0 0 28 23 1 0 0 0 13 14 1 0 0 0 26 29 1 0 0 0 1 2 1 0 0 0 14 30 1 0 0 0 10 15 1 0 0 0 30 31 1 0 0 0 7 8 2 0 0 0 31 32 1 0 0 0 M END > 8.30102999566398 > 5.40197592766581 $$$$ 11280715082D 1 1.00000 0.00000 0 24 25 0 0 0 999 V2000 3.0667 -2.6667 0.0000 S 0 0 3 0 0 0 0 0 0 3.7792 -2.2500 0.0000 C 0 0 3 0 0 0 0 0 0 4.5000 -2.6542 0.0000 C 0 0 0 0 0 0 0 0 0 2.2417 -2.7000 0.0000 C 0 0 0 0 0 0 0 0 0 2.4792 -3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 3.6542 -3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 3.0625 -1.8500 0.0000 C 0 0 0 0 0 0 0 0 0 4.5042 -3.4792 0.0000 O 0 0 0 0 0 0 0 0 0 5.2125 -2.2375 0.0000 N 0 0 0 0 0 0 0 0 0 1.8625 -3.4292 0.0000 C 0 0 0 0 0 0 0 0 0 1.8042 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 4.4917 -1.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0.5917 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0.9750 -2.0375 0.0000 C 0 0 0 0 0 0 0 0 0 1.0375 -3.4625 0.0000 C 0 0 0 0 0 0 0 0 0 5.9292 -2.6375 0.0000 O 0 0 0 0 0 0 0 0 0 3.0542 -1.0167 0.0000 C 0 0 3 0 0 0 0 0 0 -0.2333 -2.8000 0.0000 O 0 0 0 0 0 0 0 0 0 -0.6125 -3.5292 0.0000 C 0 0 0 0 0 0 0 0 0 3.7792 -0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 2.3417 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 2.3417 0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 3.7750 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 3.0542 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 1 1 0 0 0 5 1 2 0 0 0 6 1 2 0 0 0 7 2 1 0 0 0 8 3 2 0 0 0 9 3 1 0 0 0 10 4 1 0 0 0 11 4 2 0 0 0 12 2 1 0 0 0 13 14 2 0 0 0 14 11 1 0 0 0 15 10 2 0 0 0 16 9 1 0 0 0 17 7 1 0 0 0 18 13 1 0 0 0 19 18 1 0 0 0 20 17 1 0 0 0 21 17 1 0 0 0 22 21 1 0 0 0 23 20 1 0 0 0 24 22 1 0 0 0 13 15 1 0 0 0 24 23 1 0 0 0 M END > 7.61978875828839 > 6.48811663902113 $$$$ 11280715252D 1 1.00000 0.00000 0 34 38 0 1 0 999 V2000 -1.2083 -1.7792 0.0000 N 0 0 3 0 0 0 0 0 0 -1.9583 -2.1167 0.0000 N 0 0 0 0 0 0 0 0 0 -1.1250 -0.9625 0.0000 C 0 0 0 0 0 0 0 0 0 -2.6333 -1.6417 0.0000 N 0 0 0 0 0 0 0 0 0 -1.7958 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0.9167 -2.5000 0.0000 C 0 0 2 0 0 0 0 0 0 1.5875 -2.0167 0.0000 C 0 0 1 0 0 0 0 0 0 0.2542 -2.0042 0.0000 C 0 0 2 0 0 0 0 0 0 -0.5333 -2.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0.9042 -3.3250 0.0000 C 0 0 0 0 0 0 0 0 0 -2.5458 -0.8167 0.0000 C 0 0 0 0 0 0 0 0 0 2.3667 -2.2792 0.0000 S 0 0 0 0 0 0 0 0 0 -0.3708 -0.6167 0.0000 O 0 0 0 0 0 0 0 0 0 1.3375 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0.5042 -1.2250 0.0000 C 0 0 0 0 0 0 0 0 0 4.2167 -0.6375 0.0000 C 0 0 0 0 0 0 0 0 0 4.8292 -0.0875 0.0000 C 0 0 0 0 0 0 0 0 0 1.6167 -3.7417 0.0000 O 0 0 0 0 0 0 0 0 0 2.9875 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 3.4292 -0.3792 0.0000 C 0 0 0 0 0 0 0 0 0 4.3792 -1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 5.6125 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 4.6625 0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0.1917 -3.7292 0.0000 O 0 0 0 0 0 0 0 0 0 6.0625 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7125 0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 3.7667 -1.9917 0.0000 C 0 0 0 0 0 0 0 0 0 2.8167 -0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 5.2750 1.2625 0.0000 C 0 0 0 0 0 0 0 0 0 6.2292 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 6.6750 1.5583 0.0000 Cl 0 0 0 0 0 0 0 0 0 -3.2208 -0.3417 0.0000 C 0 0 0 0 0 0 0 0 0 -2.3833 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 -3.1375 0.4833 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 2 2 0 0 0 5 3 1 0 0 0 6 8 1 0 0 0 7 6 1 0 0 0 8 9 1 6 0 0 9 1 1 0 0 0 6 10 1 1 0 0 11 5 2 0 0 0 7 12 1 6 0 0 13 3 2 0 0 0 14 15 1 0 0 0 15 8 1 0 0 0 16 20 1 0 0 0 17 16 1 0 0 0 18 10 2 0 0 0 19 12 1 0 0 0 20 28 2 0 0 0 21 27 1 0 0 0 22 17 2 0 0 0 23 17 1 0 0 0 24 10 1 0 0 0 25 29 1 0 0 0 26 5 1 0 0 0 27 19 2 0 0 0 28 19 1 0 0 0 29 23 2 0 0 0 30 22 1 0 0 0 31 25 1 0 0 0 32 11 1 0 0 0 33 26 2 0 0 0 34 33 1 0 0 0 11 4 1 0 0 0 7 14 1 0 0 0 34 32 2 0 0 0 21 16 2 0 0 0 30 25 2 0 0 0 M END > 8.30102999566398 > 5.50863830616573 $$$$ CDK 9/16/09,10:8 36 39 0 0 0 0 0 0 0 0999 V2000 8.0949 -11.7435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1035 -12.5681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8196 -12.9751 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5313 -12.5575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5227 -11.7329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8067 -11.3174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8240 -13.7997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1126 -14.2194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5437 -14.2087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8023 -10.4929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0824 -10.0838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0780 -9.2550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2299 -10.4812 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.6413 -9.7628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8185 -11.1998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9484 -10.8927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4612 -9.6717 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.6305 -8.8613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9120 -8.4498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2988 -9.0061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3602 -8.4807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0548 -8.9271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1257 -7.2793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3966 -7.6602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8251 -7.7241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7893 -8.5483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5563 -7.3430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2521 -7.7858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9834 -7.4045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2551 -13.7916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0113 -14.1196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5589 -13.5029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1417 -12.7915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3363 -12.9687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5127 -10.0737 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3671 -10.4993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 14 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 21 22 2 0 0 0 0 22 26 1 0 0 0 0 5 6 1 0 0 0 0 25 23 1 0 0 0 0 3 7 1 0 0 0 0 23 24 2 0 0 0 0 24 21 1 0 0 0 0 18 21 1 0 0 0 0 25 26 2 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 6 1 6 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 10 11 1 0 0 0 0 28 29 1 0 0 0 0 11 12 2 0 0 0 0 9 30 1 0 0 0 0 30 31 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 30 1 0 0 0 0 13 16 2 0 0 0 0 14 17 1 0 0 0 0 10 35 1 0 0 0 0 35 13 1 0 0 0 0 11 36 1 0 0 0 0 M END > 9.30102999566398 > 5.1518108830086 $$$$ SciTegic11161115462D 32 35 0 0 0 0 999 V2000 -4.6433 -6.8009 0.0000 C 0 0 -5.3596 -7.2124 0.0000 C 0 0 -5.3613 -8.0338 0.0000 C 0 0 -4.6485 -8.4501 0.0000 O 0 0 -3.9323 -8.0386 0.0000 C 0 0 -3.9289 -7.2110 0.0000 C 0 0 -3.9289 -6.3882 0.0000 S 0 0 -3.5165 -5.6736 0.0000 O 0 0 -4.3416 -5.6738 0.0000 O 0 0 -3.2142 -6.8006 0.0000 C 0 0 -3.2154 -7.6280 0.0000 C 0 0 -2.5005 -8.0409 0.0000 C 0 0 -1.7840 -7.6276 0.0000 C 0 0 -1.7869 -6.7969 0.0000 C 0 0 -2.5023 -6.3878 0.0000 C 0 0 -1.0688 -8.0389 0.0000 O 0 0 -5.3579 -6.3886 0.0000 C 0 0 -5.3581 -5.5635 0.0000 O 0 0 -6.0788 -6.8012 0.0000 N 0 0 -6.7892 -6.3889 0.0000 O 0 0 -0.3549 -7.6253 0.0000 C 0 0 0.3569 -8.0371 0.0000 C 0 0 1.0703 -7.6242 0.0000 C 0 0 1.0695 -6.7982 0.0000 C 0 0 0.3492 -6.3870 0.0000 C 0 0 -0.3612 -6.8023 0.0000 C 0 0 1.7791 -6.3823 0.0000 C 0 0 2.4950 -6.7945 0.0000 C 0 0 3.2079 -6.3806 0.0000 C 0 0 3.2060 -5.5546 0.0000 C 0 0 2.4852 -5.1444 0.0000 C 0 0 1.7753 -5.5606 0.0000 C 0 0 10 7 1 0 7 1 1 0 1 2 1 0 1 17 1 0 1 6 1 0 17 18 2 0 2 3 1 0 17 19 1 0 3 4 1 0 19 20 1 0 10 11 2 0 16 21 1 0 4 5 1 0 21 22 2 0 11 12 1 0 22 23 1 0 5 6 1 0 23 24 2 0 12 13 2 0 24 25 1 0 8 7 2 0 25 26 2 0 26 21 1 0 13 14 1 0 7 9 2 0 27 28 2 0 14 15 2 0 28 29 1 0 15 10 1 0 29 30 2 0 30 31 1 0 13 16 1 0 31 32 2 0 32 27 1 0 24 27 1 0 M END > 9.60205999132796 > 5.85387196432176 $$$$ 11280715012D 1 1.00000 0.00000 0 33 36 0 1 0 999 V2000 3.8292 -1.2667 0.0000 S 0 0 3 0 0 0 0 0 0 3.1125 -0.8542 0.0000 N 0 0 0 0 0 0 0 0 0 2.3917 -1.2667 0.0000 C 0 0 1 0 0 0 0 0 0 1.6792 -0.8542 0.0000 C 0 0 0 0 0 0 0 0 0 2.3917 -3.7375 0.0000 C 0 0 3 0 0 0 0 0 0 4.5417 -0.8542 0.0000 C 0 0 0 0 0 0 0 0 0 3.2417 -1.8542 0.0000 O 0 0 0 0 0 0 0 0 0 4.4125 -1.8542 0.0000 O 0 0 0 0 0 0 0 0 0 2.4000 -2.0917 0.0000 C 0 0 3 0 0 0 0 0 0 1.6750 -4.1417 0.0000 O 0 0 0 0 0 0 0 0 0 3.1042 -4.1500 0.0000 O 0 0 0 0 0 0 0 0 0 5.9750 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 6.6875 0.3875 0.0000 C 0 0 0 0 0 0 0 0 0 1.6792 -0.0292 0.0000 O 0 0 0 0 0 0 0 0 0 5.2542 -1.2667 0.0000 C 0 0 0 0 0 0 0 0 0 4.5417 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 5.9750 -0.8542 0.0000 C 0 0 0 0 0 0 0 0 0 5.2542 0.3833 0.0000 C 0 0 0 0 0 0 0 0 0 3.1125 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 1.6792 -2.5042 0.0000 C 0 0 0 0 0 0 0 0 0 6.6792 1.2083 0.0000 C 0 0 0 0 0 0 0 0 0 7.4000 -0.0250 0.0000 C 0 0 0 0 0 0 0 0 0 1.6792 -3.3250 0.0000 C 0 0 0 0 0 0 0 0 0 3.1042 -3.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0.9667 -1.2667 0.0000 O 0 0 0 0 0 0 0 0 0 8.1042 1.2208 0.0000 C 0 0 0 0 0 0 0 0 0 7.3875 1.6250 0.0000 C 0 0 0 0 0 0 0 0 0 8.1125 0.3875 0.0000 C 0 0 0 0 0 0 0 0 0 2.3792 -5.3792 0.0000 C 0 0 0 0 0 0 0 0 0 8.8167 1.6333 0.0000 O 0 0 0 0 0 0 0 0 0 3.1000 -4.9750 0.0000 C 0 0 0 0 0 0 0 0 0 1.6667 -4.9667 0.0000 C 0 0 0 0 0 0 0 0 0 9.5375 1.2208 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 6 0 0 4 3 1 0 0 0 5 23 1 0 0 0 6 1 1 0 0 0 7 1 2 0 0 0 8 1 2 0 0 0 9 3 1 0 0 0 10 5 1 0 0 0 11 5 1 0 0 0 12 18 2 0 0 0 13 12 1 0 0 0 14 4 2 0 0 0 15 6 1 0 0 0 16 6 2 0 0 0 17 15 2 0 0 0 18 16 1 0 0 0 19 9 1 0 0 0 20 9 1 0 0 0 21 13 1 0 0 0 22 13 2 0 0 0 23 20 1 0 0 0 24 19 1 0 0 0 25 4 1 0 0 0 26 28 2 0 0 0 27 21 2 0 0 0 28 22 1 0 0 0 29 31 1 0 0 0 30 26 1 0 0 0 31 11 1 0 0 0 32 10 1 0 0 0 33 30 1 0 0 0 17 12 1 0 0 0 24 5 1 0 0 0 26 27 1 0 0 0 32 29 1 0 0 0 M END > 7.44369749923271 > 5.30111686324741 $$$$ SciTegic11161115462D 32 36 0 0 0 0 999 V2000 16.6488 -3.0795 0.0000 C 0 0 15.9326 -3.4909 0.0000 C 0 0 15.9308 -4.3123 0.0000 C 0 0 16.6436 -4.7285 0.0000 N 0 0 17.3598 -4.3171 0.0000 C 0 0 17.3632 -3.4894 0.0000 C 0 0 17.3632 -2.6668 0.0000 S 0 0 17.7755 -1.9522 0.0000 O 0 0 16.9505 -1.9524 0.0000 O 0 0 18.0777 -3.0791 0.0000 C 0 0 18.0766 -3.9065 0.0000 C 0 0 18.7914 -4.3194 0.0000 C 0 0 19.5078 -3.9060 0.0000 C 0 0 19.5050 -3.0755 0.0000 C 0 0 18.7896 -2.6664 0.0000 C 0 0 20.2230 -4.3174 0.0000 O 0 0 15.9342 -2.6671 0.0000 C 0 0 15.9340 -1.8421 0.0000 O 0 0 15.2199 -3.0798 0.0000 N 0 0 14.5053 -2.6675 0.0000 O 0 0 20.9368 -3.9038 0.0000 C 0 0 21.6485 -4.3156 0.0000 C 0 0 21.6409 -2.6656 0.0000 C 0 0 20.9305 -3.0809 0.0000 C 0 0 16.6406 -5.5535 0.0000 C 0 0 22.3610 -3.0768 0.0000 C 0 0 22.3647 -3.8987 0.0000 C 0 0 23.1476 -4.1493 0.0000 O 0 0 23.6278 -3.4820 0.0000 C 0 0 23.1416 -2.8193 0.0000 O 0 0 16.2307 -6.2654 0.0000 C 0 0 17.0557 -6.2684 0.0000 C 0 0 10 7 1 0 7 1 1 0 1 2 1 0 1 17 1 0 1 6 1 0 17 18 2 0 2 3 1 0 17 19 1 0 3 4 1 0 19 20 1 0 10 11 2 0 16 21 1 0 4 5 1 0 21 22 2 0 22 27 1 0 11 12 1 0 26 23 1 0 5 6 1 0 23 24 2 0 24 21 1 0 12 13 2 0 4 25 1 0 26 27 2 0 8 7 2 0 13 14 1 0 7 9 2 0 14 15 2 0 15 10 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 26 1 0 31 25 1 0 32 31 1 0 25 32 1 0 13 16 1 0 M END > 9.52287874528034 > 6 $$$$ 11280715162D 1 1.00000 0.00000 0 34 37 0 0 0 999 V2000 13.7792 -4.7875 0.0000 N 0 0 0 0 0 0 0 0 0 12.9792 -4.5667 0.0000 N 0 0 3 0 0 0 0 0 0 12.4000 -5.1500 0.0000 C 0 0 0 0 0 0 0 0 0 13.9917 -5.5667 0.0000 N 0 0 0 0 0 0 0 0 0 12.6167 -5.9417 0.0000 C 0 0 0 0 0 0 0 0 0 13.7125 -1.8125 0.0000 C 0 0 0 0 0 0 0 0 0 13.4125 -6.1542 0.0000 C 0 0 0 0 0 0 0 0 0 13.1292 -2.3917 0.0000 C 0 0 3 0 0 0 0 0 0 5.3792 -1.1167 0.0000 N 0 0 0 0 0 0 0 0 0 6.1792 -1.3250 0.0000 C 0 0 0 0 0 0 0 0 0 12.7542 -3.7667 0.0000 C 0 0 0 0 0 0 0 0 0 11.6000 -4.9292 0.0000 O 0 0 0 0 0 0 0 0 0 9.3792 -2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 8.5875 -1.9417 0.0000 C 0 0 0 0 0 0 0 0 0 13.3417 -3.1792 0.0000 C 0 0 0 0 0 0 0 0 0 14.5000 -2.0167 0.0000 O 0 0 0 0 0 0 0 0 0 12.3417 -2.1875 0.0000 C 0 0 0 0 0 0 0 0 0 13.4917 -1.0125 0.0000 N 0 0 0 0 0 0 0 0 0 8.3667 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 8.0042 -2.5292 0.0000 C 0 0 0 0 0 0 0 0 0 9.6000 -2.9417 0.0000 C 0 0 0 0 0 0 0 0 0 9.9542 -1.5667 0.0000 C 0 0 0 0 0 0 0 0 0 11.7542 -2.7750 0.0000 O 0 0 0 0 0 0 0 0 0 6.9917 -1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 10.9667 -2.5667 0.0000 C 0 0 0 0 0 0 0 0 0 12.0292 -6.5292 0.0000 C 0 0 0 0 0 0 0 0 0 7.2167 -2.3250 0.0000 C 0 0 0 0 0 0 0 0 0 7.5750 -0.9417 0.0000 C 0 0 0 0 0 0 0 0 0 10.7542 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 10.3875 -3.1542 0.0000 C 0 0 0 0 0 0 0 0 0 12.7042 -0.8042 0.0000 O 0 0 0 0 0 0 0 0 0 13.6292 -6.9542 0.0000 C 0 0 0 0 0 0 0 0 0 12.2417 -7.3167 0.0000 C 0 0 0 0 0 0 0 0 0 13.0500 -7.5375 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 1 2 0 0 0 5 7 2 0 0 0 6 8 1 0 0 0 7 4 1 0 0 0 8 15 1 0 0 0 9 10 3 0 0 0 10 24 1 0 0 0 11 2 1 0 0 0 12 3 2 0 0 0 13 21 1 0 0 0 14 13 1 0 0 0 15 11 1 0 0 0 16 6 2 0 0 0 17 8 1 0 0 0 18 6 1 0 0 0 19 14 2 0 0 0 20 14 1 0 0 0 21 30 2 0 0 0 22 29 1 0 0 0 23 17 1 0 0 0 24 27 1 0 0 0 25 23 1 0 0 0 26 5 1 0 0 0 27 20 2 0 0 0 28 19 1 0 0 0 29 25 2 0 0 0 30 25 1 0 0 0 31 18 1 0 0 0 32 7 1 0 0 0 33 34 1 0 0 0 34 32 2 0 0 0 3 5 1 0 0 0 26 33 2 0 0 0 22 13 2 0 0 0 28 24 2 0 0 0 M END > 9.22184874961636 > 6.93554201077308 $$$$ 11280715422D 1 1.00000 0.00000 0 29 30 0 0 0 999 V2000 -0.8333 1.2458 0.0000 S 0 0 3 0 0 0 0 0 0 -0.8333 0.4208 0.0000 N 0 0 3 0 0 0 0 0 0 -1.5833 0.0625 0.0000 C 0 0 3 0 0 0 0 0 0 -2.2208 0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 -0.4333 -1.4000 0.0000 N 0 0 3 0 0 0 0 0 0 -0.0958 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7833 -0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0.0042 1.2458 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0833 -2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 -1.6583 1.2458 0.0000 O 0 0 0 0 0 0 0 0 0 -0.8333 2.0708 0.0000 O 0 0 0 0 0 0 0 0 0 2.4792 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 2.8917 -0.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0.0917 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 -1.2708 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 -2.2333 1.4208 0.0000 O 0 0 0 0 0 0 0 0 0 -0.5583 -2.8292 0.0000 O 0 0 0 0 0 0 0 0 0 -2.9833 0.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0.4042 1.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0.4042 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 1.6542 1.2458 0.0000 C 0 0 0 0 0 0 0 0 0 1.2417 1.9625 0.0000 C 0 0 0 0 0 0 0 0 0 1.2417 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 -3.6583 0.7000 0.0000 O 0 0 0 0 0 0 0 0 0 2.9042 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 2.4792 1.2458 0.0000 O 0 0 0 0 0 0 0 0 0 0.7417 -2.2167 0.0000 C 0 0 0 0 0 0 0 0 0 3.3042 -1.6375 0.0000 C 0 0 0 0 0 0 0 0 0 1.0917 -2.9625 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 14 1 0 0 0 6 2 1 0 0 0 7 3 1 0 0 0 8 1 1 0 0 0 9 5 1 0 0 0 10 1 2 0 0 0 11 1 2 0 0 0 12 25 1 0 0 0 13 12 3 0 0 0 14 6 1 0 0 0 15 7 1 0 0 0 16 4 2 0 0 0 17 9 2 0 0 0 18 4 1 0 0 0 19 8 1 0 0 0 20 8 2 0 0 0 21 23 2 0 0 0 22 19 2 0 0 0 23 20 1 0 0 0 24 18 1 0 0 0 25 26 1 0 0 0 26 21 1 0 0 0 27 9 1 0 0 0 28 13 1 0 0 0 29 27 1 0 0 0 21 22 1 0 0 0 5 15 1 0 0 0 M END > 7.69897000433602 > 6.68402965454308 $$$$ 11280715002D 1 1.00000 0.00000 0 22 22 0 0 0 999 V2000 5.7042 -7.3792 0.0000 S 0 0 3 0 0 0 0 0 0 5.1792 -7.0750 0.0000 N 0 0 3 0 0 0 0 0 0 7.2667 -5.2625 0.0000 N 0 3 0 0 0 0 0 0 0 4.6542 -7.3792 0.0000 C 0 0 0 0 0 0 0 0 0 4.1292 -7.0750 0.0000 C 0 0 0 0 0 0 0 0 0 6.2167 -7.6792 0.0000 N 0 0 3 0 0 0 0 0 0 5.4000 -7.9000 0.0000 O 0 0 0 0 0 0 0 0 0 6.0125 -6.8625 0.0000 O 0 0 0 0 0 0 0 0 0 6.7500 -5.5667 0.0000 C 0 0 0 0 0 0 0 0 0 7.7917 -5.5667 0.0000 O 0 5 0 0 0 0 0 0 0 5.1792 -6.4667 0.0000 C 0 0 0 0 0 0 0 0 0 7.2667 -4.6542 0.0000 O 0 0 0 0 0 0 0 0 0 3.6125 -7.3792 0.0000 O 0 0 0 0 0 0 0 0 0 4.1292 -6.4667 0.0000 N 0 0 0 0 0 0 0 0 0 6.7500 -6.1667 0.0000 C 0 0 0 0 0 0 0 0 0 6.2167 -5.2625 0.0000 C 0 0 0 0 0 0 0 0 0 5.7042 -6.1667 0.0000 C 0 0 0 0 0 0 0 0 0 6.2292 -6.4667 0.0000 C 0 0 0 0 0 0 0 0 0 5.7042 -5.5667 0.0000 C 0 0 0 0 0 0 0 0 0 3.6125 -6.1667 0.0000 O 0 0 0 0 0 0 0 0 0 6.2167 -8.2792 0.0000 C 0 0 0 0 0 0 0 0 0 6.7417 -7.3750 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 9 1 0 0 0 4 2 1 0 0 0 5 4 1 0 0 0 6 1 1 0 0 0 7 1 2 0 0 0 8 1 2 0 0 0 9 16 1 0 0 0 10 3 1 0 0 0 11 2 1 0 0 0 12 3 2 0 0 0 13 5 2 0 0 0 14 5 1 0 0 0 15 18 1 0 0 0 16 19 2 0 0 0 17 11 1 0 0 0 18 17 2 0 0 0 19 17 1 0 0 0 20 14 1 0 0 0 21 6 1 0 0 0 22 6 1 0 0 0 15 9 2 0 0 0 M CHG 2 3 1 10 -1 M END > 7.10237290870956 > 7.58502665202918 $$$$ CDK 9/16/09,10:8 35 37 0 0 0 0 0 0 0 0999 V2000 8.2270 -11.7004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2356 -12.5249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9515 -12.9318 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6632 -12.5143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6547 -11.6899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9386 -11.2745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9559 -13.7563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2448 -14.1760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6756 -14.1654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9342 -10.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2145 -10.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2101 -9.2123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3620 -10.4384 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.7733 -9.7200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9506 -11.1568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0804 -10.8496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5932 -9.6288 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.7624 -8.8185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0439 -8.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4308 -8.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4920 -8.4380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1865 -8.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2573 -7.2369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5284 -7.6177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9568 -7.6816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9209 -8.5056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3869 -13.7482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1037 -14.1557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3813 -12.9237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6879 -7.3005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3972 -6.8823 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 15.0880 -8.0214 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 14.2889 -6.5789 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.6447 -10.0307 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4992 -10.4565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14 17 1 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 14 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 21 22 2 0 0 0 0 22 26 1 0 0 0 0 5 6 1 0 0 0 0 25 23 1 0 0 0 0 3 7 1 0 0 0 0 23 24 2 0 0 0 0 24 21 1 0 0 0 0 18 21 1 0 0 0 0 25 26 2 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 6 1 6 0 0 0 9 27 1 0 0 0 0 27 28 1 0 0 0 0 10 11 1 0 0 0 0 27 29 1 0 0 0 0 11 12 2 0 0 0 0 25 30 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 13 14 1 0 0 0 0 30 33 1 0 0 0 0 13 15 2 0 0 0 0 13 16 2 0 0 0 0 10 34 1 0 0 0 0 34 13 1 0 0 0 0 11 35 1 0 0 0 0 M END > 8.4089353929735 > 5.19586056766465 $$$$ 11280715152D 1 1.00000 0.00000 0 32 34 0 0 0 999 V2000 6.6417 -6.8792 0.0000 S 0 0 3 0 0 0 0 0 0 6.3542 -7.6625 0.0000 N 0 0 3 0 0 0 0 0 0 5.5417 -7.7250 0.0000 C 0 0 3 0 0 0 0 0 0 5.3167 -9.1917 0.0000 N 0 0 3 0 0 0 0 0 0 5.0750 -8.4042 0.0000 C 0 0 0 0 0 0 0 0 0 6.9167 -8.2625 0.0000 C 0 0 0 0 0 0 0 0 0 5.1292 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 6.0875 -9.4917 0.0000 C 0 0 0 0 0 0 0 0 0 6.8000 -9.0792 0.0000 C 0 0 0 0 0 0 0 0 0 4.7042 -9.7417 0.0000 C 0 0 0 0 0 0 0 0 0 6.9292 -6.1000 0.0000 C 0 0 0 0 0 0 0 0 0 7.4167 -6.8375 0.0000 O 0 0 0 0 0 0 0 0 0 6.0792 -6.2750 0.0000 O 0 0 0 0 0 0 0 0 0 7.5292 -2.3625 0.0000 C 0 0 0 0 0 0 0 0 0 7.8042 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 5.5500 -6.2792 0.0000 O 0 0 0 0 0 0 0 0 0 3.9167 -9.4917 0.0000 O 0 0 0 0 0 0 0 0 0 4.3042 -6.9917 0.0000 N 0 0 0 0 0 0 0 0 0 7.7417 -5.9625 0.0000 C 0 0 0 0 0 0 0 0 0 6.4042 -5.4667 0.0000 C 0 0 0 0 0 0 0 0 0 7.5000 -4.5542 0.0000 C 0 0 0 0 0 0 0 0 0 6.6875 -4.6917 0.0000 C 0 0 0 0 0 0 0 0 0 8.0292 -5.1917 0.0000 C 0 0 0 0 0 0 0 0 0 3.8917 -6.2792 0.0000 O 0 0 0 0 0 0 0 0 0 7.5167 -9.4917 0.0000 C 0 0 0 0 0 0 0 0 0 7.2500 -3.1375 0.0000 C 0 0 0 0 0 0 0 0 0 6.0875 -10.3250 0.0000 C 0 0 0 0 0 0 0 0 0 7.7792 -3.7667 0.0000 O 0 0 0 0 0 0 0 0 0 4.8792 -10.5500 0.0000 C 0 0 0 0 0 0 0 0 0 8.0875 -0.8042 0.0000 C 0 0 0 0 0 0 0 0 0 7.5167 -10.3250 0.0000 C 0 0 0 0 0 0 0 0 0 6.8000 -10.7375 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 5 1 0 0 0 5 3 1 0 0 0 6 2 1 0 0 0 7 3 1 0 0 0 8 9 1 0 0 0 9 6 1 0 0 0 10 4 1 0 0 0 11 1 1 0 0 0 12 1 2 0 0 0 13 1 2 0 0 0 14 26 1 0 0 0 15 14 3 0 0 0 16 7 2 0 0 0 17 10 2 0 0 0 18 7 1 0 0 0 19 11 2 0 0 0 20 11 1 0 0 0 21 22 1 0 0 0 22 20 2 0 0 0 23 19 1 0 0 0 24 18 1 0 0 0 25 9 2 0 0 0 26 28 1 0 0 0 27 8 2 0 0 0 28 21 1 0 0 0 29 10 1 0 0 0 30 15 1 0 0 0 31 25 1 0 0 0 32 31 2 0 0 0 23 21 2 0 0 0 8 4 1 0 0 0 27 32 1 0 0 0 M END > 7.11350927482752 > 6.0783135245164 $$$$ 11280715292D 1 1.00000 0.00000 0 29 30 0 1 0 999 V2000 4.9125 -5.5792 0.0000 S 0 0 3 0 0 0 0 0 0 4.9042 -6.3917 0.0000 N 0 0 3 0 0 0 0 0 0 4.5250 -8.1792 0.0000 S 0 0 3 0 0 0 0 0 0 4.1750 -6.7292 0.0000 C 0 0 2 0 0 0 0 0 0 3.9792 -7.5250 0.0000 C 0 0 3 0 0 0 0 0 0 3.5500 -6.2250 0.0000 C 0 0 0 0 0 0 0 0 0 4.9125 -4.7750 0.0000 C 0 0 0 0 0 0 0 0 0 4.1042 -5.5750 0.0000 O 0 0 0 0 0 0 0 0 0 5.7167 -5.5792 0.0000 O 0 0 0 0 0 0 0 0 0 3.9167 -9.1750 0.0000 O 0 0 0 0 0 0 0 0 0 5.0500 -9.0917 0.0000 O 0 0 0 0 0 0 0 0 0 3.5417 -5.4167 0.0000 O 0 0 0 0 0 0 0 0 0 2.8167 -6.5667 0.0000 N 0 0 0 0 0 0 0 0 0 5.2917 -8.1792 0.0000 C 0 0 0 0 0 0 0 0 0 5.6375 -6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 5.6167 -4.3625 0.0000 C 0 0 0 0 0 0 0 0 0 4.2042 -4.3792 0.0000 C 0 0 0 0 0 0 0 0 0 3.4042 -8.0917 0.0000 C 0 0 0 0 0 0 0 0 0 3.1917 -7.3042 0.0000 C 0 0 0 0 0 0 0 0 0 5.8042 -7.5417 0.0000 C 0 0 0 0 0 0 0 0 0 4.8917 -3.1500 0.0000 C 0 0 0 0 0 0 0 0 0 4.2000 -3.5667 0.0000 C 0 0 0 0 0 0 0 0 0 5.6042 -3.5542 0.0000 C 0 0 0 0 0 0 0 0 0 2.1542 -6.1125 0.0000 O 0 0 0 0 0 0 0 0 0 4.8917 -2.3417 0.0000 O 0 0 0 0 0 0 0 0 0 5.5875 -1.9375 0.0000 C 0 0 0 0 0 0 0 0 0 5.5792 -1.1292 0.0000 C 0 0 0 0 0 0 0 0 0 6.2792 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 6.2667 0.0875 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 5 1 0 0 0 4 2 1 0 0 0 5 4 1 0 0 0 4 6 1 6 0 0 7 1 1 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 3 2 0 0 0 11 3 2 0 0 0 12 6 2 0 0 0 13 6 1 0 0 0 14 20 1 0 0 0 15 2 1 0 0 0 16 7 2 0 0 0 17 7 1 0 0 0 18 5 1 0 0 0 19 5 1 0 0 0 20 15 1 0 0 0 21 22 1 0 0 0 22 17 2 0 0 0 23 16 1 0 0 0 24 13 1 0 0 0 25 21 1 0 0 0 26 25 1 0 0 0 27 26 1 0 0 0 28 27 1 0 0 0 29 28 1 0 0 0 21 23 2 0 0 0 14 3 1 0 0 0 M END > 9.39794000867204 > 7.72124639904717 $$$$ 11290715122D 1 1.00000 0.00000 0 30 32 0 0 0 999 V2000 -0.2590 -0.8083 0.0000 C 0 0 3 0 0 0 0 0 0 0.2730 -1.4408 0.0000 C 0 0 0 0 0 0 0 0 0 1.0813 -1.3004 0.0000 C 0 0 0 0 0 0 0 0 0 1.3714 -0.5295 0.0000 N 0 0 3 0 0 0 0 0 0 0.8425 0.1080 0.0000 C 0 0 0 0 0 0 0 0 0 0.0281 -0.0319 0.0000 C 0 0 0 0 0 0 0 0 0 -3.3347 0.9734 0.0000 C 0 0 0 0 0 0 0 0 0 -3.3347 0.1442 0.0000 C 0 0 0 0 0 0 0 0 0 -2.6153 -0.2713 0.0000 C 0 0 0 0 0 0 0 0 0 -1.9021 0.1404 0.0000 C 0 0 0 0 0 0 0 0 0 -1.9021 0.9731 0.0000 C 0 0 0 0 0 0 0 0 0 -2.6163 1.3854 0.0000 C 0 0 0 0 0 0 0 0 0 -4.0454 1.3837 0.0000 O 0 0 0 0 0 0 0 0 0 -4.0454 2.2120 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1878 -0.2721 0.0000 S 0 0 3 0 0 0 0 0 0 -0.7746 0.4437 0.0000 O 0 0 0 0 0 0 0 0 0 -1.5994 -0.9853 0.0000 O 0 0 0 0 0 0 0 0 0 -0.9492 -1.6310 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7614 -1.4877 0.0000 O 0 0 0 0 0 0 0 0 0 2.1848 -0.3928 0.0000 C 0 0 0 0 0 0 0 0 0 2.7100 -1.0291 0.0000 C 0 0 0 0 0 0 0 0 0 2.4207 -1.7972 0.0000 C 0 0 0 0 0 0 0 0 0 2.9430 -2.4338 0.0000 C 0 0 0 0 0 0 0 0 0 3.7564 -2.3023 0.0000 C 0 0 0 0 0 0 0 0 0 4.0452 -1.5241 0.0000 C 0 0 0 0 0 0 0 0 0 3.5207 -0.8905 0.0000 C 0 0 0 0 0 0 0 0 0 -3.3284 2.6259 0.0000 C 0 0 0 0 0 0 0 0 0 -2.6141 3.0384 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6670 -2.4062 0.0000 N 0 0 0 0 0 0 0 0 0 -1.1973 -3.0382 0.0000 O 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 6 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 7 8 2 0 0 0 8 9 1 0 0 0 9 10 2 0 0 0 10 11 1 0 0 0 11 12 2 0 0 0 12 7 1 0 0 0 7 13 1 0 0 0 13 14 1 0 0 0 10 15 1 0 0 0 15 16 2 0 0 0 15 17 2 0 0 0 15 1 1 0 0 0 1 18 1 0 0 0 18 19 2 0 0 0 4 20 1 0 0 0 20 21 1 0 0 0 21 22 2 0 0 0 22 23 1 0 0 0 23 24 2 0 0 0 24 25 1 0 0 0 25 26 2 0 0 0 26 21 1 0 0 0 14 27 1 0 0 0 27 28 3 0 0 0 18 29 1 0 0 0 29 30 1 0 0 0 M END > 8.15490195998574 > 7.01772876696043 $$$$ 11280715332D 1 1.00000 0.00000 0 25 26 0 1 0 999 V2000 5.8167 -3.1167 0.0000 S 0 0 3 0 0 0 0 0 0 6.1042 -3.9000 0.0000 N 0 0 3 0 0 0 0 0 0 5.5792 -4.5292 0.0000 C 0 0 1 0 0 0 0 0 0 4.7542 -4.4875 0.0000 C 0 0 0 0 0 0 0 0 0 6.8667 -4.2042 0.0000 C 0 0 0 0 0 0 0 0 0 6.8125 -5.0292 0.0000 C 0 0 0 0 0 0 0 0 0 6.0167 -5.2250 0.0000 C 0 0 0 0 0 0 0 0 0 6.6000 -2.8292 0.0000 C 0 0 0 0 0 0 0 0 0 5.5292 -2.3417 0.0000 O 0 0 0 0 0 0 0 0 0 5.0417 -3.4042 0.0000 O 0 0 0 0 0 0 0 0 0 7.4375 -5.5667 0.0000 N 0 0 0 0 0 0 0 0 0 4.3792 -3.7542 0.0000 O 0 0 0 0 0 0 0 0 0 4.3000 -5.1792 0.0000 N 0 0 0 0 0 0 0 0 0 7.2292 -3.3542 0.0000 C 0 0 0 0 0 0 0 0 0 6.7417 -2.0167 0.0000 C 0 0 0 0 0 0 0 0 0 8.1417 -2.2667 0.0000 C 0 0 0 0 0 0 0 0 0 7.5125 -1.7375 0.0000 C 0 0 0 0 0 0 0 0 0 8.0000 -3.0750 0.0000 C 0 0 0 0 0 0 0 0 0 8.2125 -5.3000 0.0000 O 0 0 0 0 0 0 0 0 0 3.4750 -5.1375 0.0000 O 0 0 0 0 0 0 0 0 0 8.9292 -1.9792 0.0000 O 0 0 0 0 0 0 0 0 0 9.5625 -2.5167 0.0000 C 0 0 0 0 0 0 0 0 0 8.8417 -5.8375 0.0000 C 0 0 0 0 0 0 0 0 0 10.3292 -2.2375 0.0000 C 0 0 0 0 0 0 0 0 0 10.9667 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 2 1 0 0 0 6 5 1 0 0 0 3 7 1 6 0 0 8 1 1 0 0 0 9 1 2 0 0 0 10 1 2 0 0 0 11 6 2 0 0 0 12 4 2 0 0 0 13 4 1 0 0 0 14 8 2 0 0 0 15 8 1 0 0 0 16 17 1 0 0 0 17 15 2 0 0 0 18 14 1 0 0 0 19 11 1 0 0 0 20 13 1 0 0 0 21 16 1 0 0 0 22 21 1 0 0 0 23 19 1 0 0 0 24 22 1 0 0 0 25 24 1 0 0 0 16 18 2 0 0 0 6 7 1 0 0 0 M END > 9 > 7.88605664769316 $$$$ SciTegic11161115462D 28 30 0 0 0 0 999 V2000 6.5946 -11.2961 0.0000 C 0 0 5.8784 -11.7076 0.0000 C 0 0 5.8767 -12.5290 0.0000 C 0 0 6.5894 -12.9452 0.0000 O 0 0 7.3056 -12.5337 0.0000 C 0 0 7.3090 -11.7061 0.0000 C 0 0 7.3090 -10.8835 0.0000 S 0 0 7.7213 -10.1689 0.0000 O 0 0 6.8963 -10.1691 0.0000 O 0 0 8.0236 -11.2958 0.0000 C 0 0 8.0224 -12.1232 0.0000 C 0 0 8.7372 -12.5360 0.0000 C 0 0 9.4537 -12.1227 0.0000 C 0 0 9.4508 -11.2922 0.0000 C 0 0 8.7354 -10.8830 0.0000 C 0 0 10.1688 -12.5341 0.0000 O 0 0 5.8801 -10.8838 0.0000 C 0 0 5.8799 -10.0588 0.0000 O 0 0 5.1657 -11.2965 0.0000 N 0 0 4.4511 -10.8842 0.0000 O 0 0 10.8826 -12.1204 0.0000 C 0 0 11.5944 -12.5323 0.0000 C 0 0 12.3077 -12.1193 0.0000 C 0 0 12.3069 -11.2934 0.0000 C 0 0 11.5867 -10.8822 0.0000 C 0 0 10.8763 -11.2975 0.0000 C 0 0 13.0201 -10.8789 0.0000 S 0 0 13.7358 -11.2893 0.0000 C 0 0 14 15 2 0 15 10 1 0 13 16 1 0 10 7 1 0 7 1 1 0 1 2 1 0 1 17 1 0 1 6 1 0 17 18 2 0 2 3 1 0 17 19 1 0 3 4 1 0 19 20 1 0 10 11 2 0 16 21 1 0 4 5 1 0 21 22 2 0 11 12 1 0 22 23 1 0 5 6 1 0 23 24 2 0 12 13 2 0 24 25 1 0 8 7 2 0 25 26 2 0 26 21 1 0 13 14 1 0 24 27 1 0 7 9 2 0 27 28 1 0 M END > 10 > 5.60205999132796 $$$$ 11280715292D 1 1.00000 0.00000 0 25 26 0 1 0 999 V2000 2.7292 -1.6000 0.0000 S 0 0 3 0 0 0 0 0 0 2.7292 -2.1917 0.0000 N 0 0 3 0 0 0 0 0 0 2.8542 -3.3875 0.0000 S 0 0 3 0 0 0 0 0 0 2.2417 -2.5500 0.0000 C 0 0 2 0 0 0 0 0 0 2.3042 -3.1417 0.0000 C 0 0 3 0 0 0 0 0 0 1.6750 -2.3667 0.0000 C 0 0 0 0 0 0 0 0 0 3.3417 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 3.2792 -2.4292 0.0000 C 0 0 0 0 0 0 0 0 0 2.7250 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 3.3292 -1.6000 0.0000 O 0 0 0 0 0 0 0 0 0 2.1292 -1.5917 0.0000 O 0 0 0 0 0 0 0 0 0 2.6500 -4.2167 0.0000 O 0 0 0 0 0 0 0 0 0 3.4292 -3.7792 0.0000 O 0 0 0 0 0 0 0 0 0 1.5500 -1.7792 0.0000 O 0 0 0 0 0 0 0 0 0 1.2292 -2.7667 0.0000 N 0 0 0 0 0 0 0 0 0 2.1917 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 3.2417 -0.6917 0.0000 C 0 0 0 0 0 0 0 0 0 1.7042 -3.1417 0.0000 C 0 0 0 0 0 0 0 0 0 2.1500 -3.7167 0.0000 C 0 0 0 0 0 0 0 0 0 2.7042 0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 3.2292 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 2.1917 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0.6542 -2.5792 0.0000 O 0 0 0 0 0 0 0 0 0 2.7000 0.8000 0.0000 O 0 0 0 0 0 0 0 0 0 3.2125 1.1083 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 7 1 0 0 0 4 2 1 0 0 0 5 4 1 0 0 0 4 6 1 6 0 0 7 8 1 0 0 0 8 2 1 0 0 0 9 1 1 0 0 0 10 1 2 0 0 0 11 1 2 0 0 0 12 3 2 0 0 0 13 3 2 0 0 0 14 6 2 0 0 0 15 6 1 0 0 0 16 9 1 0 0 0 17 9 2 0 0 0 18 5 1 0 0 0 19 5 1 0 0 0 20 21 2 0 0 0 21 17 1 0 0 0 22 16 2 0 0 0 23 15 1 0 0 0 24 20 1 0 0 0 25 24 1 0 0 0 22 20 1 0 0 0 3 5 1 0 0 0 M END > 8.36653154442041 > 7.88605664769316 $$$$ 11280715082D 1 1.00000 0.00000 0 24 25 0 0 0 999 V2000 6.2792 -2.8542 0.0000 S 0 0 3 0 0 0 0 0 0 7.1000 -2.8292 0.0000 C 0 0 3 0 0 0 0 0 0 7.4875 -2.0917 0.0000 C 0 0 0 0 0 0 0 0 0 5.4542 -2.8917 0.0000 C 0 0 0 0 0 0 0 0 0 6.3125 -3.6875 0.0000 O 0 0 0 0 0 0 0 0 0 6.2417 -2.0375 0.0000 O 0 0 0 0 0 0 0 0 0 7.5417 -3.5250 0.0000 C 0 0 0 0 0 0 0 0 0 7.0417 -1.4000 0.0000 O 0 0 0 0 0 0 0 0 0 8.3167 -2.0625 0.0000 N 0 0 0 0 0 0 0 0 0 5.0667 -3.6167 0.0000 C 0 0 0 0 0 0 0 0 0 5.0125 -2.1917 0.0000 C 0 0 0 0 0 0 0 0 0 7.9250 -2.8292 0.0000 C 0 0 0 0 0 0 0 0 0 3.8042 -2.9542 0.0000 C 0 0 0 0 0 0 0 0 0 7.1625 -4.2542 0.0000 C 0 0 0 0 0 0 0 0 0 4.1792 -2.2292 0.0000 C 0 0 0 0 0 0 0 0 0 4.2417 -3.6542 0.0000 C 0 0 0 0 0 0 0 0 0 8.7000 -1.3292 0.0000 O 0 0 0 0 0 0 0 0 0 2.9750 -2.9917 0.0000 O 0 0 0 0 0 0 0 0 0 7.6042 -4.9417 0.0000 C 0 0 0 0 0 0 0 0 0 6.3417 -4.2875 0.0000 C 0 0 0 0 0 0 0 0 0 2.5375 -2.2917 0.0000 C 0 0 0 0 0 0 0 0 0 5.9542 -5.0167 0.0000 C 0 0 0 0 0 0 0 0 0 7.2292 -5.6750 0.0000 C 0 0 0 0 0 0 0 0 0 6.4042 -5.7167 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 1 1 0 0 0 5 1 2 0 0 0 6 1 2 0 0 0 7 2 1 0 0 0 8 3 2 0 0 0 9 3 1 0 0 0 10 4 1 0 0 0 11 4 2 0 0 0 12 2 1 0 0 0 13 15 2 0 0 0 14 7 1 0 0 0 15 11 1 0 0 0 16 10 2 0 0 0 17 9 1 0 0 0 18 13 1 0 0 0 19 14 1 0 0 0 20 14 2 0 0 0 21 18 1 0 0 0 22 20 1 0 0 0 23 19 2 0 0 0 24 22 2 0 0 0 13 16 1 0 0 0 24 23 1 0 0 0 M END > 7.95860731484177 > 7 $$$$ 11280715312D 1 1.00000 0.00000 0 28 30 0 1 0 999 V2000 0.4250 -3.3875 0.0000 N 0 0 3 0 0 0 0 0 0 0.4250 -2.7875 0.0000 S 0 0 3 0 0 0 0 0 0 -0.0583 -3.7375 0.0000 C 0 0 2 0 0 0 0 0 0 1.7792 -5.7667 0.0000 S 0 0 3 0 0 0 0 0 0 0.9125 -3.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0.1250 -4.3125 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6333 -3.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0.7250 -4.3125 0.0000 C 0 0 2 0 0 0 0 0 0 1.0792 -4.7917 0.0000 N 0 0 3 0 0 0 0 0 0 1.1792 -5.8250 0.0000 C 0 0 0 0 0 0 0 0 0 2.0250 -5.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0.9417 -2.4875 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1583 -2.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0.4167 -2.1875 0.0000 O 0 0 0 0 0 0 0 0 0 1.7750 -6.3667 0.0000 O 0 0 0 0 0 0 0 0 0 2.3542 -5.9167 0.0000 O 0 0 0 0 0 0 0 0 0 0.8292 -5.3417 0.0000 C 0 0 0 0 0 0 0 0 0 1.6750 -4.7292 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7583 -2.9667 0.0000 O 0 0 0 0 0 0 0 0 0 -1.0750 -3.9542 0.0000 N 0 0 0 0 0 0 0 0 0 1.4667 -2.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0.9417 -1.8875 0.0000 C 0 0 0 0 0 0 0 0 0 1.9875 -1.8875 0.0000 C 0 0 0 0 0 0 0 0 0 1.4625 -1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 1.9875 -2.4875 0.0000 C 0 0 0 0 0 0 0 0 0 -1.6458 -3.7667 0.0000 O 0 0 0 0 0 0 0 0 0 2.5042 -1.5875 0.0000 O 0 0 0 0 0 0 0 0 0 3.0250 -1.8792 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 11 1 0 0 0 5 1 1 0 0 0 3 6 1 6 0 0 7 3 1 0 0 0 8 5 1 0 0 0 8 9 1 1 0 0 10 17 1 0 0 0 11 18 1 0 0 0 12 2 1 0 0 0 13 2 2 0 0 0 14 2 2 0 0 0 15 4 2 0 0 0 16 4 2 0 0 0 17 9 1 0 0 0 18 9 1 0 0 0 19 7 2 0 0 0 20 7 1 0 0 0 21 12 2 0 0 0 22 12 1 0 0 0 23 24 1 0 0 0 24 22 2 0 0 0 25 21 1 0 0 0 26 20 1 0 0 0 27 23 1 0 0 0 28 27 1 0 0 0 8 6 1 0 0 0 23 25 2 0 0 0 4 10 1 0 0 0 M END > 9 > 6.52287874528034 $$$$ Mrv0541 04051115152D 32 33 0 0 0 0 999 V2000 -4.6186 0.7450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9041 1.1575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1896 0.7450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1896 -0.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9041 -0.4925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6186 -0.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4752 -0.4925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7607 -0.0800 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7607 0.7450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4752 1.1575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0462 1.1575 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0462 1.9825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0462 -0.4925 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3318 -0.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3318 0.7450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3827 -0.4925 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3827 -1.3175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0972 -1.7300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8117 -1.3175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0972 -2.5550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0972 -0.0800 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8117 -0.4925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5261 -0.0800 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.2406 -0.4925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9943 -0.1569 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5463 -0.7700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1338 -1.4845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3268 -1.3130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0972 0.7450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8117 1.1575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3827 1.1575 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3827 1.9825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 7 4 1 0 0 0 0 5 6 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 1 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 12 11 1 0 0 0 0 14 13 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 1 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 21 22 1 0 0 0 0 21 29 1 1 0 0 0 22 23 1 0 0 0 0 24 23 1 0 0 0 0 24 25 1 0 0 0 0 24 28 2 0 0 0 0 26 25 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 31 32 1 0 0 0 0 M END > 8.30102999566398 > 9.39794000867204 $$$$ 11280715452D 1 1.00000 0.00000 0 29 31 0 1 0 999 V2000 1.8250 -1.8792 0.0000 S 0 0 3 0 0 0 0 0 0 1.8250 -1.0542 0.0000 N 0 0 3 0 0 0 0 0 0 2.5375 -0.6500 0.0000 C 0 0 1 0 0 0 0 0 0 3.2500 -1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 1.8167 -2.7042 0.0000 C 0 0 0 0 0 0 0 0 0 2.5375 0.1750 0.0000 C 0 0 2 0 0 0 0 0 0 2.6500 -1.8792 0.0000 O 0 0 0 0 0 0 0 0 0 1.0000 -1.8792 0.0000 O 0 0 0 0 0 0 0 0 0 3.6542 -1.7750 0.0000 O 0 0 0 0 0 0 0 0 0 3.9625 -0.6417 0.0000 N 0 0 0 0 0 0 0 0 0 4.7542 -4.5792 0.0000 N 0 0 0 0 0 0 0 0 0 1.1167 -0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 2.5250 -3.1167 0.0000 C 0 0 0 0 0 0 0 0 0 1.1000 -3.1042 0.0000 C 0 0 0 0 0 0 0 0 0 1.7917 -5.1792 0.0000 O 0 0 0 0 0 0 0 0 0 1.8000 -4.3542 0.0000 C 0 0 0 0 0 0 0 0 0 2.5292 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 2.5042 -5.5917 0.0000 C 0 0 0 0 0 0 0 0 0 2.5167 -3.9417 0.0000 C 0 0 0 0 0 0 0 0 0 1.0917 -3.9292 0.0000 C 0 0 0 0 0 0 0 0 0 4.6750 -1.0542 0.0000 O 0 0 0 0 0 0 0 0 0 3.2167 -5.1792 0.0000 C 0 0 0 0 0 0 0 0 0 1.8250 0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 1.1167 0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 3.3292 0.3958 0.0000 C 0 0 0 0 0 0 0 0 0 4.6292 -5.3917 0.0000 C 0 0 0 0 0 0 0 0 0 4.1167 -4.0667 0.0000 C 0 0 0 0 0 0 0 0 0 3.8625 -5.6917 0.0000 C 0 0 0 0 0 0 0 0 0 3.3500 -4.3625 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 3 4 1 6 0 0 5 1 1 0 0 0 6 3 1 0 0 0 7 1 2 0 0 0 8 1 2 0 0 0 9 4 2 0 0 0 10 4 1 0 0 0 11 27 1 0 0 0 12 2 1 0 0 0 13 5 1 0 0 0 14 5 2 0 0 0 15 16 1 0 0 0 16 20 2 0 0 0 6 17 1 1 0 0 18 15 1 0 0 0 19 13 2 0 0 0 20 14 1 0 0 0 21 10 1 0 0 0 22 18 1 0 0 0 23 24 1 0 0 0 24 12 1 0 0 0 6 25 1 6 0 0 26 28 1 0 0 0 27 29 2 0 0 0 28 22 2 0 0 0 29 22 1 0 0 0 19 16 1 0 0 0 23 6 1 0 0 0 11 26 2 0 0 0 M END > 8.69897000433602 > 6.72124639904717 $$$$ 11280715142D 1 1.00000 0.00000 0 22 22 0 1 0 999 V2000 4.8292 0.1833 0.0000 S 0 0 3 0 0 0 0 0 0 4.1042 -0.2417 0.0000 N 0 0 3 0 0 0 0 0 0 4.1167 -1.0667 0.0000 C 0 0 1 0 0 0 0 0 0 3.4125 -1.4875 0.0000 C 0 0 0 0 0 0 0 0 0 5.5500 0.6083 0.0000 C 0 0 0 0 0 0 0 0 0 5.2542 -0.5375 0.0000 O 0 0 0 0 0 0 0 0 0 4.4042 0.9083 0.0000 O 0 0 0 0 0 0 0 0 0 8.4042 3.1083 0.0000 C 0 0 0 0 0 0 0 0 0 9.1292 3.5208 0.0000 C 0 0 0 0 0 0 0 0 0 3.4167 -2.3167 0.0000 O 0 0 0 0 0 0 0 0 0 2.6917 -1.0792 0.0000 N 0 0 0 0 0 0 0 0 0 5.5500 1.4375 0.0000 C 0 0 0 0 0 0 0 0 0 6.2625 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 6.9792 1.4375 0.0000 C 0 0 0 0 0 0 0 0 0 3.3792 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 6.2625 1.8500 0.0000 C 0 0 0 0 0 0 0 0 0 6.9792 0.6083 0.0000 C 0 0 0 0 0 0 0 0 0 4.8417 -1.4792 0.0000 C 0 0 0 0 0 0 0 0 0 1.9792 -1.4917 0.0000 O 0 0 0 0 0 0 0 0 0 7.6917 2.6875 0.0000 C 0 0 0 0 0 0 0 0 0 7.7000 1.8583 0.0000 O 0 0 0 0 0 0 0 0 0 9.8500 3.9333 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 1 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 20 1 0 0 0 9 8 3 0 0 0 10 4 2 0 0 0 11 4 1 0 0 0 12 5 2 0 0 0 13 5 1 0 0 0 14 17 1 0 0 0 15 2 1 0 0 0 16 12 1 0 0 0 17 13 2 0 0 0 3 18 1 6 0 0 19 11 1 0 0 0 20 21 1 0 0 0 21 14 1 0 0 0 22 9 1 0 0 0 16 14 2 0 0 0 M END > 7.55284196865778 > 6.48148606012211 $$$$ 11280715452D 1 1.00000 0.00000 0 31 33 0 1 0 999 V2000 -0.6083 -1.0667 0.0000 S 0 0 3 0 0 0 0 0 0 -0.6083 -0.2417 0.0000 N 0 0 3 0 0 0 0 0 0 0.1042 0.1708 0.0000 C 0 0 1 0 0 0 0 0 0 0.8167 -0.2417 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6125 -1.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0.1042 0.9958 0.0000 C 0 0 2 0 0 0 0 0 0 0.2167 -1.0667 0.0000 O 0 0 0 0 0 0 0 0 0 -1.4333 -1.0625 0.0000 O 0 0 0 0 0 0 0 0 0 1.4917 -4.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0.7875 -4.3542 0.0000 C 0 0 0 0 0 0 0 0 0 1.2250 -0.9542 0.0000 O 0 0 0 0 0 0 0 0 0 2.2125 -4.3625 0.0000 C 0 0 0 0 0 0 0 0 0 1.5292 0.1708 0.0000 N 0 0 0 0 0 0 0 0 0 0.0750 -4.7750 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3208 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0.0917 -2.3042 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3333 -2.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0.7792 -3.5375 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6375 -4.3625 0.0000 O 0 0 0 0 0 0 0 0 0 2.2125 -3.5375 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6333 -3.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0.1000 1.8208 0.0000 O 0 0 0 0 0 0 0 0 0 1.4917 -3.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0.0875 -3.1292 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3458 -3.1167 0.0000 C 0 0 0 0 0 0 0 0 0 2.9250 -3.1167 0.0000 F 0 0 0 0 0 0 0 0 0 2.2417 -0.2417 0.0000 O 0 0 0 0 0 0 0 0 0 -0.6083 1.4083 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3208 0.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0.9000 1.2083 0.0000 C 0 0 0 0 0 0 0 0 0 1.4917 -5.6000 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 3 4 1 6 0 0 5 1 1 0 0 0 6 3 1 0 0 0 7 1 2 0 0 0 8 1 2 0 0 0 9 10 2 0 0 0 10 14 1 0 0 0 11 4 2 0 0 0 12 9 1 0 0 0 13 4 1 0 0 0 14 19 1 0 0 0 15 2 1 0 0 0 16 5 1 0 0 0 17 5 2 0 0 0 18 10 1 0 0 0 19 21 1 0 0 0 20 23 1 0 0 0 21 25 2 0 0 0 6 22 1 1 0 0 23 18 2 0 0 0 24 16 2 0 0 0 25 17 1 0 0 0 26 20 1 0 0 0 27 13 1 0 0 0 28 29 1 0 0 0 29 15 1 0 0 0 6 30 1 6 0 0 31 9 1 0 0 0 21 24 1 0 0 0 28 6 1 0 0 0 20 12 2 0 0 0 M END > 8.53760200210104 > 6.65757731917779 $$$$ 11280715162D 1 1.00000 0.00000 0 29 31 0 1 0 999 V2000 0.5250 3.2708 0.0000 S 0 0 3 0 0 0 0 0 0 -0.1875 2.8708 0.0000 N 0 0 3 0 0 0 0 0 0 -0.8958 3.2708 0.0000 C 0 0 1 0 0 0 0 0 0 -1.6125 2.8583 0.0000 C 0 0 0 0 0 0 0 0 0 1.3167 3.4958 0.0000 O 0 0 0 0 0 0 0 0 0 0.7375 2.4833 0.0000 O 0 0 0 0 0 0 0 0 0 -0.1875 2.0458 0.0000 C 0 0 0 0 0 0 0 0 0 4.8125 -0.8417 0.0000 C 0 0 3 0 0 0 0 0 0 4.0917 -0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 -1.6125 2.0333 0.0000 O 0 0 0 0 0 0 0 0 0 2.6667 0.3958 0.0000 C 0 0 0 0 0 0 0 0 0 1.9542 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0.5250 4.0917 0.0000 C 0 0 0 0 0 0 0 0 0 -2.3250 3.2708 0.0000 N 0 0 0 0 0 0 0 0 0 3.3792 -0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 4.0917 0.3958 0.0000 C 0 0 0 0 0 0 0 0 0 2.6667 -0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 3.3792 0.8083 0.0000 C 0 0 0 0 0 0 0 0 0 1.2375 0.3875 0.0000 C 0 0 0 0 0 0 0 0 0 1.9500 1.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0.5292 1.6333 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8958 4.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0.5250 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 1.2375 2.0375 0.0000 C 0 0 0 0 0 0 0 0 0 -2.3333 4.0917 0.0000 O 0 0 0 0 0 0 0 0 0 -0.1875 4.5167 0.0000 C 0 0 0 0 0 0 0 0 0 4.8125 -1.6667 0.0000 C 0 0 0 0 0 0 0 0 0 5.5250 -0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 4.2292 -1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 3 4 1 1 0 0 5 1 2 0 0 0 6 1 2 0 0 0 7 2 1 0 0 0 8 9 1 0 0 0 9 16 1 0 0 0 10 4 2 0 0 0 11 12 1 0 0 0 12 20 1 0 0 0 13 1 1 0 0 0 14 4 1 0 0 0 15 17 1 0 0 0 16 18 2 0 0 0 17 11 2 0 0 0 18 11 1 0 0 0 19 23 1 0 0 0 20 24 2 0 0 0 21 7 1 0 0 0 22 26 1 0 0 0 23 21 2 0 0 0 24 21 1 0 0 0 25 14 1 0 0 0 26 13 1 0 0 0 27 8 1 0 0 0 28 8 1 0 0 0 29 8 1 0 0 0 3 22 1 0 0 0 12 19 2 0 0 0 9 15 2 0 0 0 M END > 8.30102999566398 > 5.49948908947366 $$$$ 11280715312D 1 1.00000 0.00000 0 36 38 0 1 0 999 V2000 3.7292 -2.4417 0.0000 N 0 0 3 0 0 0 0 0 0 3.7292 -1.8417 0.0000 S 0 0 3 0 0 0 0 0 0 3.2500 -2.7917 0.0000 C 0 0 2 0 0 0 0 0 0 4.2167 -2.7917 0.0000 C 0 0 0 0 0 0 0 0 0 4.0292 -3.3667 0.0000 C 0 0 2 0 0 0 0 0 0 3.4292 -3.3667 0.0000 C 0 0 0 0 0 0 0 0 0 4.9792 -3.7917 0.0000 C 0 0 0 0 0 0 0 0 0 2.6792 -2.6125 0.0000 C 0 0 0 0 0 0 0 0 0 4.3875 -3.8542 0.0000 N 0 0 3 0 0 0 0 0 0 4.2542 -1.5417 0.0000 C 0 0 0 0 0 0 0 0 0 3.1500 -1.6875 0.0000 O 0 0 0 0 0 0 0 0 0 3.7250 -1.2417 0.0000 O 0 0 0 0 0 0 0 0 0 5.2417 -3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 2.5542 -2.0250 0.0000 O 0 0 0 0 0 0 0 0 0 5.3375 -4.2792 0.0000 C 0 0 2 0 0 0 0 0 0 2.2292 -3.0125 0.0000 N 0 0 0 0 0 0 0 0 0 4.7750 -1.8417 0.0000 C 0 0 0 0 0 0 0 0 0 4.2542 -0.9417 0.0000 C 0 0 0 0 0 0 0 0 0 5.9292 -4.2125 0.0000 C 0 0 0 0 0 0 0 0 0 5.2917 -0.9417 0.0000 C 0 0 0 0 0 0 0 0 0 6.2875 -4.7000 0.0000 C 0 0 0 0 0 0 0 0 0 4.7667 -0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 5.2917 -1.5417 0.0000 C 0 0 0 0 0 0 0 0 0 1.6625 -2.8292 0.0000 O 0 0 0 0 0 0 0 0 0 3.9917 -4.4042 0.0000 C 0 0 0 0 0 0 0 0 0 5.0917 -4.8250 0.0000 O 0 0 0 0 0 0 0 0 0 6.8792 -4.6375 0.0000 C 0 0 0 0 0 0 0 0 0 5.8125 -0.6417 0.0000 O 0 0 0 0 0 0 0 0 0 7.2292 -5.1250 0.0000 C 0 0 0 0 0 0 0 0 0 7.1167 -4.0917 0.0000 C 0 0 0 0 0 0 0 0 0 6.3292 -0.9417 0.0000 C 0 0 0 0 0 0 0 0 0 3.3167 -4.3292 0.0000 C 0 0 0 0 0 0 0 0 0 2.9292 -4.8792 0.0000 C 0 0 0 0 0 0 0 0 0 7.7167 -4.0250 0.0000 C 0 0 0 0 0 0 0 0 0 7.8292 -5.0625 0.0000 C 0 0 0 0 0 0 0 0 0 8.0750 -4.5042 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 1 1 0 0 0 5 4 1 0 0 0 3 6 1 6 0 0 7 9 1 0 0 0 8 3 1 0 0 0 5 9 1 1 0 0 10 2 1 0 0 0 11 2 2 0 0 0 12 2 2 0 0 0 13 7 2 0 0 0 14 8 2 0 0 0 15 7 1 0 0 0 16 8 1 0 0 0 17 10 2 0 0 0 18 10 1 0 0 0 19 15 1 0 0 0 20 22 1 0 0 0 21 19 1 0 0 0 22 18 2 0 0 0 23 17 1 0 0 0 24 16 1 0 0 0 25 9 1 0 0 0 15 26 1 6 0 0 27 21 1 0 0 0 28 20 1 0 0 0 29 27 2 0 0 0 30 27 1 0 0 0 31 28 1 0 0 0 32 25 1 0 0 0 33 32 1 0 0 0 34 30 2 0 0 0 35 29 1 0 0 0 36 34 1 0 0 0 5 6 1 0 0 0 20 23 2 0 0 0 36 35 2 0 0 0 M END > 9.30102999566398 > 6.58502665202918 $$$$ SciTegic01161211243D 30 33 0 0 0 0 999 V2000 -2.0272 -22.8605 0.0000 C 0 0 -2.1425 -23.6794 0.0000 C 0 0 -1.4920 -24.1868 0.0000 C 0 0 -1.2655 -22.5502 0.0000 C 0 0 -0.6138 -23.0540 0.0000 C 0 0 -0.7284 -23.8767 0.0000 C 0 0 0.0186 -24.2398 0.0000 O 0 0 0.2039 -22.9088 0.0000 C 0 0 0.5916 -23.6424 0.0000 C 0 0 1.4190 -23.6724 0.0000 C 0 0 1.8596 -22.9695 0.0000 C 0 0 1.4669 -22.2350 0.0000 C 0 0 0.6407 -22.2086 0.0000 C 0 0 -2.9070 -23.9885 0.0000 S 0 0 -2.6480 -24.7714 0.0000 O 0 0 -3.1640 -23.2050 0.0000 O 0 0 -3.9245 -24.9919 0.0000 C 0 0 2 0 0 0 -4.7225 -25.1998 0.0000 C 0 0 -3.3455 -25.5790 0.0000 C 0 0 -3.5645 -26.3740 0.0000 C 0 0 -2.5476 -25.3712 0.0000 C 0 0 -5.3015 -24.6127 0.0000 O 0 0 1.9020 -21.5345 0.0000 N 0 0 2.7204 -21.4718 0.0000 C 0 0 2.9178 -20.6712 0.0000 O 0 0 2.2173 -20.2361 0.0000 C 0 0 1.5871 -20.7678 0.0000 C 0 0 3.2534 -22.1009 0.0000 O 0 0 -3.7054 -24.1965 0.0000 N 0 0 -4.9414 -25.9947 0.0000 O 0 0 2 3 1 0 3 6 2 0 5 4 2 0 4 1 1 0 5 6 1 0 6 7 1 0 7 9 1 0 8 5 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 8 1 0 2 14 1 0 14 15 2 0 14 16 2 0 17 18 1 0 17 19 1 1 19 20 1 0 19 21 1 0 18 22 2 0 12 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 23 1 0 24 28 2 0 1 2 2 0 14 29 1 0 29 17 1 0 18 30 1 0 M END > 6.97469413473523 > 5.26280735729526 $$$$ 11290715122D 1 1.00000 0.00000 0 22 22 0 0 0 999 V2000 7.3694 -15.5625 0.0000 C 0 0 0 0 0 0 0 0 0 7.3682 -16.3898 0.0000 C 0 0 0 0 0 0 0 0 0 8.0831 -16.8027 0.0000 C 0 0 0 0 0 0 0 0 0 8.7995 -16.3894 0.0000 C 0 0 0 0 0 0 0 0 0 8.7966 -15.5588 0.0000 C 0 0 0 0 0 0 0 0 0 8.0813 -15.1497 0.0000 C 0 0 0 0 0 0 0 0 0 6.6548 -15.1501 0.0000 O 0 0 0 0 0 0 0 0 0 5.9405 -15.5628 0.0000 C 0 0 0 0 0 0 0 0 0 5.2259 -15.1505 0.0000 C 0 0 0 0 0 0 0 0 0 4.5083 -14.7375 0.0000 C 0 0 0 0 0 0 0 0 0 3.7917 -14.3250 0.0000 C 0 0 0 0 0 0 0 0 0 9.5146 -16.8007 0.0000 S 0 0 3 0 0 0 0 0 0 10.2250 -17.2125 0.0000 C 0 0 3 0 0 0 0 0 0 9.9272 -16.0863 0.0000 O 0 0 0 0 0 0 0 0 0 9.1055 -17.5171 0.0000 O 0 0 0 0 0 0 0 0 0 10.9402 -16.8012 0.0000 C 0 0 0 0 0 0 0 0 0 11.6539 -17.2150 0.0000 N 0 0 0 0 0 0 0 0 0 10.9416 -15.9762 0.0000 O 0 0 0 0 0 0 0 0 0 12.3691 -16.8037 0.0000 O 0 0 0 0 0 0 0 0 0 10.2236 -18.0375 0.0000 C 0 0 3 0 0 0 0 0 0 9.5084 -18.4488 0.0000 C 0 0 0 0 0 0 0 0 0 10.9373 -18.4512 0.0000 C 0 0 0 0 0 0 0 0 0 10 11 1 0 0 0 5 6 2 0 0 0 4 12 1 0 0 0 6 1 1 0 0 0 12 13 1 0 0 0 1 2 2 0 0 0 12 14 2 0 0 0 1 7 1 0 0 0 12 15 2 0 0 0 3 4 2 0 0 0 13 16 1 0 0 0 7 8 1 0 0 0 16 17 1 0 0 0 16 18 2 0 0 0 8 9 1 0 0 0 17 19 1 0 0 0 4 5 1 0 0 0 13 20 1 0 0 0 9 10 3 0 0 0 20 21 1 0 0 0 2 3 1 0 0 0 20 22 1 0 0 0 M END > 6.97061622231479 > 5.28895239613297 $$$$ 11280715232D 1 1.00000 0.00000 0 33 33 0 0 0 999 V2000 4.9792 -3.2792 0.0000 S 0 0 3 0 0 0 0 0 0 5.7042 -3.6667 0.0000 C 0 0 3 0 0 0 0 0 0 5.7167 -4.4792 0.0000 C 0 0 3 0 0 0 0 0 0 6.4292 -4.8750 0.0000 C 0 0 3 0 0 0 0 0 0 4.2792 -2.8750 0.0000 N 0 0 3 0 0 0 0 0 0 6.4542 -5.6875 0.0000 C 0 0 3 0 0 0 0 0 0 7.1000 -0.4292 0.0000 N 0 3 0 0 0 0 0 0 0 3.5750 -3.2792 0.0000 C 0 0 3 0 0 0 0 0 0 2.8667 -2.8750 0.0000 C 0 0 0 0 0 0 0 0 0 4.2417 -3.9917 0.0000 O 0 0 0 0 0 0 0 0 0 5.6875 -2.5500 0.0000 O 0 0 0 0 0 0 0 0 0 6.4000 -0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 4.2792 -2.0542 0.0000 C 0 0 0 0 0 0 0 0 0 5.1292 -4.2542 0.0000 F 0 0 0 0 0 0 0 0 0 6.4000 -3.2417 0.0000 F 0 0 0 0 0 0 0 0 0 7.8042 -0.8417 0.0000 O 0 5 0 0 0 0 0 0 0 7.1000 0.3833 0.0000 O 0 0 0 0 0 0 0 0 0 6.2792 -3.8917 0.0000 F 0 0 0 0 0 0 0 0 0 5.0250 -4.9042 0.0000 F 0 0 0 0 0 0 0 0 0 5.8750 -5.4625 0.0000 F 0 0 0 0 0 0 0 0 0 7.1292 -4.4417 0.0000 F 0 0 0 0 0 0 0 0 0 2.1667 -3.2792 0.0000 O 0 0 0 0 0 0 0 0 0 2.8667 -2.0542 0.0000 N 0 0 0 0 0 0 0 0 0 7.0125 -5.0917 0.0000 F 0 0 0 0 0 0 0 0 0 7.1667 -6.0792 0.0000 F 0 0 0 0 0 0 0 0 0 5.7542 -6.1125 0.0000 F 0 0 0 0 0 0 0 0 0 5.6875 -0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 6.4000 -1.6542 0.0000 C 0 0 0 0 0 0 0 0 0 4.9792 -1.6542 0.0000 C 0 0 0 0 0 0 0 0 0 4.9792 -0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 5.6917 -2.0542 0.0000 C 0 0 0 0 0 0 0 0 0 3.5750 -4.0917 0.0000 C 0 0 0 0 0 0 0 0 0 2.1667 -1.6542 0.0000 O 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 1 1 0 0 0 6 4 1 0 0 0 7 12 1 0 0 0 8 5 1 0 0 0 9 8 1 0 0 0 10 1 2 0 0 0 11 1 2 0 0 0 12 28 2 0 0 0 13 5 1 0 0 0 14 2 1 0 0 0 15 2 1 0 0 0 16 7 1 0 0 0 17 7 2 0 0 0 18 3 1 0 0 0 19 3 1 0 0 0 20 4 1 0 0 0 21 4 1 0 0 0 22 9 2 0 0 0 23 9 1 0 0 0 24 6 1 0 0 0 25 6 1 0 0 0 26 6 1 0 0 0 27 30 2 0 0 0 28 31 1 0 0 0 29 13 1 0 0 0 30 29 1 0 0 0 31 29 2 0 0 0 32 8 1 0 0 0 33 23 1 0 0 0 27 12 1 0 0 0 M CHG 2 7 1 16 -1 M END > 7.95860731484177 > 7.95860731484177 $$$$ 11280714472D 1 1.00000 0.00000 0 27 28 0 0 0 999 V2000 5.3292 -2.8250 0.0000 S 0 0 3 0 0 0 0 0 0 3.2792 -3.5417 0.0000 C 0 0 0 0 0 0 0 0 0 4.5042 -2.8250 0.0000 N 0 0 3 0 0 0 0 0 0 4.0917 -3.5417 0.0000 C 0 0 0 0 0 0 0 0 0 4.5042 -4.2542 0.0000 C 0 0 0 0 0 0 0 0 0 2.8667 -2.8250 0.0000 C 0 0 0 0 0 0 0 0 0 5.9167 -2.2375 0.0000 C 0 0 0 0 0 0 0 0 0 5.9167 -3.4042 0.0000 O 0 0 0 0 0 0 0 0 0 5.3292 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 2.8750 -4.2417 0.0000 C 0 0 0 0 0 0 0 0 0 9.0292 -0.0875 0.0000 C 0 0 0 0 0 0 0 0 0 9.6125 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 4.0917 -4.9542 0.0000 C 0 0 0 0 0 0 0 0 0 3.2792 -4.9542 0.0000 C 0 0 0 0 0 0 0 0 0 3.2792 -2.1125 0.0000 O 0 0 0 0 0 0 0 0 0 2.0417 -2.8250 0.0000 N 0 0 0 0 0 0 0 0 0 6.7167 -2.4417 0.0000 C 0 0 0 0 0 0 0 0 0 5.6917 -1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 4.0917 -2.1125 0.0000 C 0 0 0 0 0 0 0 0 0 2.8625 -5.6667 0.0000 Br 0 0 0 0 0 0 0 0 0 7.0750 -1.0542 0.0000 C 0 0 0 0 0 0 0 0 0 6.2667 -0.8542 0.0000 C 0 0 0 0 0 0 0 0 0 7.2917 -1.8542 0.0000 C 0 0 0 0 0 0 0 0 0 1.6292 -3.5417 0.0000 O 0 0 0 0 0 0 0 0 0 5.3292 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 8.4500 -0.6750 0.0000 C 0 0 0 0 0 0 0 0 0 7.6500 -0.4667 0.0000 O 0 0 0 0 0 0 0 0 0 2 4 2 0 0 0 3 1 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 6 2 1 0 0 0 7 1 1 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 2 1 0 0 0 11 26 1 0 0 0 12 11 3 0 0 0 13 5 2 0 0 0 14 13 1 0 0 0 15 6 2 0 0 0 16 6 1 0 0 0 17 7 2 0 0 0 18 7 1 0 0 0 19 3 1 0 0 0 20 14 1 0 0 0 21 22 1 0 0 0 22 18 2 0 0 0 23 17 1 0 0 0 24 16 1 0 0 0 25 5 1 0 0 0 26 27 1 0 0 0 27 21 1 0 0 0 23 21 2 0 0 0 10 14 2 0 0 0 M END > 7.2839966563652 > 7.2839966563652 $$$$ CDK 5/12/10,14:52 22 23 0 0 0 0 0 0 0 0999 V2000 -2.1848 -11.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1859 -12.5107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4711 -12.9235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7547 -12.5102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7575 -11.6797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4729 -11.2705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4754 -10.4455 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.7621 -10.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8958 -9.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2792 -10.6542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0486 -10.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6642 -10.0297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6622 -9.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0586 -8.7937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7684 -9.2100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3748 -8.7883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0911 -9.1977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8993 -11.2710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6137 -11.6836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3283 -11.2713 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6135 -12.5086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0426 -11.6840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8 11 2 0 0 0 0 5 6 2 0 0 0 0 11 12 1 0 0 0 0 6 1 1 0 0 0 0 12 13 2 0 0 0 0 1 2 2 0 0 0 0 13 14 1 0 0 0 0 6 7 1 0 0 0 0 14 15 2 0 0 0 0 15 8 1 0 0 0 0 3 4 2 0 0 0 0 13 16 1 0 0 0 0 7 8 1 0 0 0 0 16 17 1 0 0 0 0 1 18 1 0 0 0 0 7 9 2 0 0 0 0 18 19 1 0 0 0 0 4 5 1 0 0 0 0 19 20 1 0 0 0 0 7 10 2 0 0 0 0 19 21 2 0 0 0 0 2 3 1 0 0 0 0 20 22 1 0 0 0 0 M END > 7.07572071393812 > 5.38721614328026 $$$$ 11280715312D 1 1.00000 0.00000 0 29 31 0 1 0 999 V2000 3.3750 -6.0000 0.0000 N 0 0 3 0 0 0 0 0 0 3.3750 -5.4000 0.0000 S 0 0 3 0 0 0 0 0 0 2.8917 -6.3500 0.0000 C 0 0 2 0 0 0 0 0 0 3.8625 -6.3500 0.0000 C 0 0 0 0 0 0 0 0 0 3.0750 -6.9250 0.0000 C 0 0 0 0 0 0 0 0 0 2.3167 -6.1625 0.0000 C 0 0 0 0 0 0 0 0 0 3.6750 -6.9250 0.0000 C 0 0 2 0 0 0 0 0 0 4.0292 -7.4042 0.0000 N 0 0 3 0 0 0 0 0 0 3.9000 -5.1000 0.0000 C 0 0 0 0 0 0 0 0 0 3.3667 -4.8000 0.0000 O 0 0 0 0 0 0 0 0 0 2.7917 -5.2375 0.0000 O 0 0 0 0 0 0 0 0 0 2.1917 -5.5750 0.0000 O 0 0 0 0 0 0 0 0 0 1.8750 -6.5625 0.0000 N 0 0 0 0 0 0 0 0 0 3.9000 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 4.4167 -5.4000 0.0000 C 0 0 0 0 0 0 0 0 0 4.7292 -8.3750 0.0000 O 0 0 0 0 0 0 0 0 0 4.4125 -4.1917 0.0000 C 0 0 0 0 0 0 0 0 0 4.9375 -5.1000 0.0000 C 0 0 0 0 0 0 0 0 0 4.9375 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 1.3042 -6.3792 0.0000 O 0 0 0 0 0 0 0 0 0 3.7875 -7.9500 0.0000 C 0 0 0 0 0 0 0 0 0 4.6250 -7.3375 0.0000 C 0 0 0 0 0 0 0 0 0 4.9750 -7.8250 0.0000 C 0 0 0 0 0 0 0 0 0 4.1375 -8.4375 0.0000 C 0 0 0 0 0 0 0 0 0 5.4542 -4.1917 0.0000 C 0 0 0 0 0 0 0 0 0 5.9750 -4.4917 0.0000 C 0 0 0 0 0 0 0 0 0 7.0125 -4.4917 0.0000 C 0 0 0 0 0 0 0 0 0 6.5000 -4.1917 0.0000 C 0 0 0 0 0 0 0 0 0 7.5375 -4.1917 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 1 1 0 0 0 3 5 1 6 0 0 6 3 1 0 0 0 7 4 1 0 0 0 7 8 1 1 0 0 9 2 1 0 0 0 10 2 2 0 0 0 11 2 2 0 0 0 12 6 2 0 0 0 13 6 1 0 0 0 14 9 1 0 0 0 15 9 2 0 0 0 16 23 1 0 0 0 17 14 2 0 0 0 18 15 1 0 0 0 19 18 2 0 0 0 20 13 1 0 0 0 21 8 1 0 0 0 22 8 1 0 0 0 23 22 1 0 0 0 24 21 1 0 0 0 25 19 1 0 0 0 26 25 1 0 0 0 27 28 1 0 0 0 28 26 1 0 0 0 29 27 1 0 0 0 7 5 1 0 0 0 16 24 1 0 0 0 19 17 1 0 0 0 M END > 9.15490195998574 > 5.69897000433602 $$$$ 11280714592D 1 1.00000 0.00000 0 27 28 0 0 0 999 V2000 5.7000 -6.8792 0.0000 C 0 0 0 0 0 0 0 0 0 7.2667 -4.7625 0.0000 N 0 3 0 0 0 0 0 0 0 5.1792 -6.5750 0.0000 N 0 0 3 0 0 0 0 0 0 5.7000 -7.4792 0.0000 N 0 0 0 0 0 0 0 0 0 4.1292 -6.5750 0.0000 C 0 0 0 0 0 0 0 0 0 6.2292 -7.7792 0.0000 C 0 0 0 0 0 0 0 0 0 6.7417 -7.4792 0.0000 C 0 0 0 0 0 0 0 0 0 6.7542 -5.0667 0.0000 C 0 0 0 0 0 0 0 0 0 4.6542 -6.8792 0.0000 C 0 0 0 0 0 0 0 0 0 7.7917 -5.0667 0.0000 O 0 5 0 0 0 0 0 0 0 7.2667 -7.7792 0.0000 C 0 0 0 0 0 0 0 0 0 7.2667 -4.1542 0.0000 O 0 0 0 0 0 0 0 0 0 6.2292 -6.5750 0.0000 O 0 0 0 0 0 0 0 0 0 5.1792 -5.9667 0.0000 C 0 0 0 0 0 0 0 0 0 3.6042 -6.8792 0.0000 O 0 0 0 0 0 0 0 0 0 4.1292 -5.9667 0.0000 N 0 0 0 0 0 0 0 0 0 6.2250 -8.3875 0.0000 C 0 0 0 0 0 0 0 0 0 6.7542 -5.6667 0.0000 C 0 0 0 0 0 0 0 0 0 6.2250 -4.7625 0.0000 C 0 0 0 0 0 0 0 0 0 7.2667 -8.3875 0.0000 C 0 0 0 0 0 0 0 0 0 5.7000 -5.6667 0.0000 C 0 0 0 0 0 0 0 0 0 6.7417 -6.8792 0.0000 F 0 0 0 0 0 0 0 0 0 6.7417 -8.6917 0.0000 C 0 0 0 0 0 0 0 0 0 5.7000 -5.0667 0.0000 C 0 0 0 0 0 0 0 0 0 6.2292 -5.9667 0.0000 C 0 0 0 0 0 0 0 0 0 7.7875 -8.6917 0.0000 F 0 0 0 0 0 0 0 0 0 3.6042 -5.6667 0.0000 O 0 0 0 0 0 0 0 0 0 2 8 1 0 0 0 3 1 1 0 0 0 4 1 1 0 0 0 5 9 1 0 0 0 6 4 1 0 0 0 7 6 1 0 0 0 8 18 2 0 0 0 9 3 1 0 0 0 10 2 1 0 0 0 11 7 2 0 0 0 12 2 2 0 0 0 13 1 2 0 0 0 14 3 1 0 0 0 15 5 2 0 0 0 16 5 1 0 0 0 17 6 2 0 0 0 18 25 1 0 0 0 19 24 2 0 0 0 20 23 2 0 0 0 21 14 1 0 0 0 22 7 1 0 0 0 23 17 1 0 0 0 24 21 1 0 0 0 25 21 2 0 0 0 26 20 1 0 0 0 27 16 1 0 0 0 11 20 1 0 0 0 8 19 1 0 0 0 M CHG 2 2 1 10 -1 M END > 7.88605664769316 > 7.88605664769316 $$$$ 11280715082D 1 1.00000 0.00000 0 34 36 0 0 0 999 V2000 7.2792 -8.6292 0.0000 S 0 0 3 0 0 0 0 0 0 8.1042 -8.6000 0.0000 C 0 0 3 0 0 0 0 0 0 8.4917 -7.8667 0.0000 C 0 0 0 0 0 0 0 0 0 6.4542 -8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 3.9792 -8.7625 0.0000 C 0 0 0 0 0 0 0 0 0 8.1000 -9.4250 0.0000 C 0 0 0 0 0 0 0 0 0 7.2500 -7.8042 0.0000 O 0 0 0 0 0 0 0 0 0 7.3167 -9.4542 0.0000 O 0 0 0 0 0 0 0 0 0 3.5292 -9.4417 0.0000 O 0 0 0 0 0 0 0 0 0 4.8042 -8.7292 0.0000 C 0 0 0 0 0 0 0 0 0 8.0500 -7.1667 0.0000 O 0 0 0 0 0 0 0 0 0 3.4667 -8.1125 0.0000 C 0 0 0 0 0 0 0 0 0 9.3167 -7.8292 0.0000 N 0 0 0 0 0 0 0 0 0 11.7292 -10.3542 0.0000 C 0 0 0 0 0 0 0 0 0 2.7292 -9.2292 0.0000 C 0 0 0 0 0 0 0 0 0 2.6917 -8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 6.0750 -9.3917 0.0000 C 0 0 0 0 0 0 0 0 0 6.0167 -7.9625 0.0000 C 0 0 0 0 0 0 0 0 0 5.2500 -9.4250 0.0000 C 0 0 0 0 0 0 0 0 0 5.1875 -8.0000 0.0000 C 0 0 0 0 0 0 0 0 0 11.0625 -10.8417 0.0000 O 0 0 0 0 0 0 0 0 0 12.4792 -10.6875 0.0000 N 0 0 3 0 0 0 0 0 0 8.9292 -8.6000 0.0000 C 0 0 0 0 0 0 0 0 0 8.8125 -9.8375 0.0000 C 0 0 0 0 0 0 0 0 0 10.3042 -10.5125 0.0000 C 0 0 0 0 0 0 0 0 0 9.7042 -7.1042 0.0000 O 0 0 0 0 0 0 0 0 0 8.8917 -10.6542 0.0000 C 0 0 0 0 0 0 0 0 0 9.4750 -9.3542 0.0000 C 0 0 0 0 0 0 0 0 0 10.2167 -9.6917 0.0000 C 0 0 0 0 0 0 0 0 0 9.6417 -10.9917 0.0000 C 0 0 0 0 0 0 0 0 0 13.0750 -10.1167 0.0000 C 0 0 0 0 0 0 0 0 0 12.6750 -11.4917 0.0000 C 0 0 0 0 0 0 0 0 0 13.4625 -11.7167 0.0000 C 0 0 0 0 0 0 0 0 0 13.8667 -10.3500 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 1 1 0 0 0 5 10 1 0 0 0 6 2 1 0 0 0 7 1 2 0 0 0 8 1 2 0 0 0 9 5 1 0 0 0 10 20 2 0 0 0 11 3 2 0 0 0 12 5 2 0 0 0 13 3 1 0 0 0 14 21 1 0 0 0 15 9 1 0 0 0 16 12 1 0 0 0 17 4 1 0 0 0 18 4 2 0 0 0 19 17 2 0 0 0 20 18 1 0 0 0 21 25 1 0 0 0 22 14 1 0 0 0 23 2 1 0 0 0 24 6 1 0 0 0 25 29 1 0 0 0 26 13 1 0 0 0 27 24 2 0 0 0 28 24 1 0 0 0 29 28 2 0 0 0 30 27 1 0 0 0 31 22 1 0 0 0 32 22 1 0 0 0 33 32 1 0 0 0 34 31 1 0 0 0 19 10 1 0 0 0 30 25 2 0 0 0 15 16 2 0 0 0 M END > 8.69897000433602 > 7.85387196432176 $$$$ SciTegic11161115462D 31 33 0 0 0 0 999 V2000 6.7863 -19.9836 0.0000 C 0 0 6.0701 -20.3951 0.0000 C 0 0 6.0683 -21.2165 0.0000 C 0 0 6.7811 -21.6327 0.0000 N 0 0 7.4973 -21.2212 0.0000 C 0 0 7.5007 -20.3936 0.0000 C 0 0 7.5007 -19.5710 0.0000 S 0 0 7.9130 -18.8564 0.0000 O 0 0 7.0880 -18.8566 0.0000 O 0 0 8.2152 -19.9833 0.0000 C 0 0 8.2141 -20.8107 0.0000 C 0 0 8.9289 -21.2235 0.0000 C 0 0 9.6453 -20.8102 0.0000 C 0 0 9.6425 -19.9797 0.0000 C 0 0 8.9271 -19.5705 0.0000 C 0 0 10.3605 -21.2216 0.0000 O 0 0 6.0717 -19.5713 0.0000 C 0 0 6.0715 -18.7463 0.0000 O 0 0 5.3574 -19.9840 0.0000 N 0 0 4.6428 -19.5716 0.0000 O 0 0 11.0743 -20.8079 0.0000 C 0 0 11.7860 -21.2198 0.0000 C 0 0 11.7784 -19.5697 0.0000 C 0 0 11.0680 -19.9850 0.0000 C 0 0 12.4956 -19.9790 0.0000 C 0 0 12.5022 -20.8029 0.0000 C 0 0 13.2073 -19.5619 0.0000 O 0 0 13.9245 -19.9697 0.0000 C 0 0 14.6362 -19.5525 0.0000 F 0 0 13.9299 -20.7946 0.0000 F 0 0 14.6333 -20.3792 0.0000 F 0 0 13 16 1 0 10 7 1 0 7 1 1 0 1 2 1 0 1 17 1 0 1 6 1 0 17 18 2 0 2 3 1 0 17 19 1 0 3 4 1 0 19 20 1 0 10 11 2 0 16 21 1 0 4 5 1 0 21 22 2 0 22 26 1 0 11 12 1 0 25 23 1 0 5 6 1 0 23 24 2 0 24 21 1 0 25 26 2 0 12 13 2 0 8 7 2 0 13 14 1 0 25 27 1 0 7 9 2 0 27 28 1 0 14 15 2 0 28 29 1 0 15 10 1 0 28 30 1 0 28 31 1 0 M END > 10 > 5 $$$$ 11280715132D 1 1.00000 0.00000 0 27 28 0 0 0 999 V2000 4.7292 0.0000 0.0000 S 0 0 3 0 0 0 0 0 0 4.0125 -0.4250 0.0000 N 0 0 3 0 0 0 0 0 0 4.0250 -1.2542 0.0000 C 0 0 0 0 0 0 0 0 0 3.3167 -1.6667 0.0000 C 0 0 0 0 0 0 0 0 0 5.4542 0.4250 0.0000 C 0 0 0 0 0 0 0 0 0 5.1542 -0.7167 0.0000 O 0 0 0 0 0 0 0 0 0 4.3042 0.7208 0.0000 O 0 0 0 0 0 0 0 0 0 8.3125 2.9208 0.0000 C 0 0 0 0 0 0 0 0 0 9.0292 3.3333 0.0000 C 0 0 0 0 0 0 0 0 0 3.2875 -0.0167 0.0000 C 0 0 0 0 0 0 0 0 0 3.3250 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 2.5417 2.0333 0.0000 N 0 0 0 0 0 0 0 0 0 2.6000 -1.2625 0.0000 N 0 0 0 0 0 0 0 0 0 3.2750 0.8083 0.0000 C 0 0 0 0 0 0 0 0 0 6.1667 0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 5.4542 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 6.8792 1.2583 0.0000 C 0 0 0 0 0 0 0 0 0 6.1667 1.6708 0.0000 C 0 0 0 0 0 0 0 0 0 6.8792 0.4250 0.0000 C 0 0 0 0 0 0 0 0 0 1.8792 -1.6750 0.0000 O 0 0 0 0 0 0 0 0 0 2.5542 1.2083 0.0000 C 0 0 0 0 0 0 0 0 0 7.6000 2.5083 0.0000 C 0 0 0 0 0 0 0 0 0 7.6042 1.6750 0.0000 O 0 0 0 0 0 0 0 0 0 9.7542 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 3.2542 2.4583 0.0000 C 0 0 0 0 0 0 0 0 0 3.9792 1.2250 0.0000 C 0 0 0 0 0 0 0 0 0 3.9750 2.0500 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 1 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 22 1 0 0 0 9 8 3 0 0 0 10 2 1 0 0 0 11 4 2 0 0 0 12 21 2 0 0 0 13 4 1 0 0 0 14 10 1 0 0 0 15 5 1 0 0 0 16 5 2 0 0 0 17 18 2 0 0 0 18 16 1 0 0 0 19 15 2 0 0 0 20 13 1 0 0 0 21 14 1 0 0 0 22 23 1 0 0 0 23 17 1 0 0 0 24 9 1 0 0 0 25 27 2 0 0 0 26 14 2 0 0 0 27 26 1 0 0 0 17 19 1 0 0 0 25 12 1 0 0 0 M END > 7.69897000433602 > 5.93704216591549 $$$$ 11280715052D 1 1.00000 0.00000 0 32 34 0 0 0 999 V2000 5.6500 -8.0375 0.0000 S 0 0 3 0 0 0 0 0 0 4.8250 -8.0042 0.0000 N 0 0 3 0 0 0 0 0 0 3.5542 -8.6667 0.0000 C 0 0 0 0 0 0 0 0 0 4.3875 -8.7042 0.0000 C 0 0 0 0 0 0 0 0 0 4.7667 -9.4375 0.0000 C 0 0 0 0 0 0 0 0 0 3.1667 -7.9417 0.0000 C 0 0 0 0 0 0 0 0 0 6.4750 -8.0375 0.0000 C 0 0 0 0 0 0 0 0 0 6.0875 -7.3375 0.0000 O 0 0 0 0 0 0 0 0 0 6.0292 -8.7667 0.0000 O 0 0 0 0 0 0 0 0 0 3.1167 -9.3667 0.0000 C 0 0 0 0 0 0 0 0 0 4.4417 -7.2750 0.0000 C 0 0 0 0 0 0 0 0 0 4.3292 -10.1292 0.0000 C 0 0 0 0 0 0 0 0 0 3.6167 -7.2417 0.0000 O 0 0 0 0 0 0 0 0 0 3.5042 -10.1000 0.0000 C 0 0 0 0 0 0 0 0 0 2.3417 -7.9125 0.0000 N 0 0 0 0 0 0 0 0 0 6.8792 -8.7500 0.0000 C 0 0 0 0 0 0 0 0 0 6.8792 -7.3250 0.0000 C 0 0 0 0 0 0 0 0 0 8.1167 -8.0292 0.0000 C 0 0 0 0 0 0 0 0 0 4.8792 -6.5792 0.0000 C 0 0 0 0 0 0 0 0 0 7.7042 -8.7417 0.0000 C 0 0 0 0 0 0 0 0 0 7.7000 -7.3167 0.0000 C 0 0 0 0 0 0 0 0 0 1.9042 -8.6125 0.0000 O 0 0 0 0 0 0 0 0 0 5.5917 -9.4667 0.0000 C 0 0 0 0 0 0 0 0 0 8.9417 -8.0292 0.0000 O 0 0 0 0 0 0 0 0 0 3.0625 -10.7917 0.0000 C 0 0 0 0 0 0 0 0 0 9.3542 -8.7417 0.0000 C 0 0 0 0 0 0 0 0 0 5.7042 -6.6125 0.0000 C 0 0 0 0 0 0 0 0 0 4.4917 -5.8542 0.0000 C 0 0 0 0 0 0 0 0 0 8.9417 -9.4542 0.0000 C 0 0 0 0 0 0 0 0 0 6.1417 -5.9167 0.0000 C 0 0 0 0 0 0 0 0 0 4.9292 -5.1542 0.0000 C 0 0 0 0 0 0 0 0 0 5.7625 -5.1792 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 4 1 0 0 0 4 2 1 0 0 0 5 4 2 0 0 0 6 3 1 0 0 0 7 1 1 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 3 2 0 0 0 11 2 1 0 0 0 12 5 1 0 0 0 13 6 2 0 0 0 14 12 2 0 0 0 15 6 1 0 0 0 16 7 2 0 0 0 17 7 1 0 0 0 18 21 1 0 0 0 19 11 1 0 0 0 20 16 1 0 0 0 21 17 2 0 0 0 22 15 1 0 0 0 23 5 1 0 0 0 24 18 1 0 0 0 25 14 1 0 0 0 26 24 1 0 0 0 27 19 2 0 0 0 28 19 1 0 0 0 29 26 1 0 0 0 30 27 1 0 0 0 31 28 2 0 0 0 32 31 1 0 0 0 20 18 2 0 0 0 10 14 1 0 0 0 30 32 2 0 0 0 M END > 7.61978875828839 > 6.53610701101409 $$$$ 11280715212D 1 1.00000 0.00000 0 28 30 0 0 0 999 V2000 -1.5333 1.6583 0.0000 S 0 0 3 0 0 0 0 0 0 -2.9625 1.6708 0.0000 C 0 0 3 0 0 0 0 0 0 -2.2500 2.0833 0.0000 N 0 0 0 0 0 0 0 0 0 -3.6833 2.0833 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8083 1.2250 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1083 2.3750 0.0000 O 0 0 0 0 0 0 0 0 0 -1.9583 0.9333 0.0000 O 0 0 0 0 0 0 0 0 0 -3.6833 2.9083 0.0000 O 0 0 0 0 0 0 0 0 0 -4.3958 1.6708 0.0000 N 0 0 0 0 0 0 0 0 0 2.0500 -1.2542 0.0000 C 0 0 0 0 0 0 0 0 0 1.3292 -0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 -3.6833 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 -2.2458 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 1.3375 -0.0125 0.0000 O 0 0 0 0 0 0 0 0 0 -2.9708 0.0083 0.0000 O 0 0 0 0 0 0 0 0 0 -0.0958 1.6458 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8083 0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0.6167 0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 2.0500 -2.0792 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0958 -0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0.6167 1.2333 0.0000 C 0 0 0 0 0 0 0 0 0 2.7625 -2.4917 0.0000 Cl 0 0 0 0 0 0 0 0 0 -4.3958 0.8375 0.0000 O 0 0 0 0 0 0 0 0 0 -3.6833 0.4250 0.0000 C 0 0 0 0 0 0 0 0 0 -2.2500 0.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0.6125 -2.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0.6125 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 1.3292 -2.4917 0.0000 C 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 3 1 1 0 0 0 4 2 1 0 0 0 5 1 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 4 2 0 0 0 9 4 1 0 0 0 10 11 1 0 0 0 11 14 1 0 0 0 12 2 1 0 0 0 13 2 1 0 0 0 14 18 1 0 0 0 15 25 1 0 0 0 16 5 1 0 0 0 17 5 2 0 0 0 18 20 2 0 0 0 19 10 2 0 0 0 20 17 1 0 0 0 21 16 2 0 0 0 22 19 1 0 0 0 23 9 1 0 0 0 24 12 1 0 0 0 25 13 1 0 0 0 26 27 1 0 0 0 27 11 2 0 0 0 28 26 2 0 0 0 21 18 1 0 0 0 15 24 1 0 0 0 28 19 1 0 0 0 M END > 8.33724216831843 > 5.4089353929735 $$$$ CDK 9/16/09,10:8 35 37 0 0 0 0 0 0 0 0999 V2000 8.0423 -20.9264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0509 -21.7488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7650 -22.1547 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4749 -21.7383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4664 -20.9159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7521 -20.5015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7694 -22.9772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0601 -23.3957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4872 -23.3851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4872 -24.2117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4894 -25.0384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6606 -24.2128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3139 -24.2106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7477 -19.6791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0299 -19.2712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0255 -18.4445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1755 -19.6675 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.5858 -18.9509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7652 -20.3841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8921 -20.0778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4108 -18.9534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8211 -18.2376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4056 -17.5231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5756 -17.5287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1691 -18.2450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8103 -16.8109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6339 -16.8082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0415 -16.0947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6268 -15.3835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8000 -15.3902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3961 -16.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0335 -14.6687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8560 -14.6635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4582 -19.2598 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3164 -19.6856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 17 18 1 0 0 0 0 17 19 2 0 0 0 0 17 20 2 0 0 0 0 18 21 2 0 0 0 0 1 2 1 0 0 0 0 21 22 1 0 0 0 0 1 6 1 0 0 0 0 22 23 2 0 0 0 0 2 3 1 0 0 0 0 23 24 1 0 0 0 0 3 4 1 0 0 0 0 24 25 2 0 0 0 0 25 18 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 26 27 2 0 0 0 0 3 7 1 0 0 0 0 27 28 1 0 0 0 0 7 8 2 0 0 0 0 28 29 2 0 0 0 0 7 9 1 0 0 0 0 29 30 1 0 0 0 0 9 10 1 0 0 0 0 30 31 2 0 0 0 0 31 26 1 0 0 0 0 23 26 1 0 0 0 0 10 11 1 0 0 0 0 29 32 1 0 0 0 0 10 12 1 0 0 0 0 32 33 1 0 0 0 0 10 13 1 0 0 0 0 14 6 1 6 0 0 0 14 34 1 0 0 0 0 34 17 1 0 0 0 0 15 35 1 0 0 0 0 M END > 9.39794000867204 > 5.86327943284359 $$$$ 11280715082D 1 1.00000 0.00000 0 27 29 0 0 0 999 V2000 6.3750 -0.4250 0.0000 S 0 0 3 0 0 0 0 0 0 7.1917 -0.3917 0.0000 C 0 0 3 0 0 0 0 0 0 7.5792 0.3375 0.0000 C 0 0 0 0 0 0 0 0 0 5.5500 -0.4542 0.0000 C 0 0 0 0 0 0 0 0 0 6.4042 -1.2542 0.0000 O 0 0 0 0 0 0 0 0 0 6.3417 0.3958 0.0000 O 0 0 0 0 0 0 0 0 0 7.6375 -1.0917 0.0000 C 0 0 0 0 0 0 0 0 0 7.1417 1.0333 0.0000 O 0 0 0 0 0 0 0 0 0 7.3292 -3.2417 0.0000 C 0 0 0 0 0 0 0 0 0 7.2542 -1.8167 0.0000 C 0 0 0 0 0 0 0 0 0 7.7042 -2.5125 0.0000 C 0 0 0 0 0 0 0 0 0 8.4125 0.3708 0.0000 N 0 0 0 0 0 0 0 0 0 5.1042 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 5.1667 -1.1875 0.0000 C 0 0 0 0 0 0 0 0 0 6.5000 -3.2792 0.0000 C 0 0 0 0 0 0 0 0 0 6.0542 -2.5792 0.0000 C 0 0 0 0 0 0 0 0 0 6.4375 -1.8542 0.0000 C 0 0 0 0 0 0 0 0 0 3.9000 -0.5250 0.0000 C 0 0 0 0 0 0 0 0 0 4.2792 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 4.3417 -1.2167 0.0000 C 0 0 0 0 0 0 0 0 0 8.7917 1.1000 0.0000 O 0 0 0 0 0 0 0 0 0 3.0667 -0.5542 0.0000 O 0 0 0 0 0 0 0 0 0 7.7667 -3.9375 0.0000 C 0 0 0 0 0 0 0 0 0 6.1167 -4.0042 0.0000 C 0 0 0 0 0 0 0 0 0 2.6292 0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 7.3917 -4.6667 0.0000 C 0 0 0 0 0 0 0 0 0 6.5625 -4.7042 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 1 1 0 0 0 5 1 2 0 0 0 6 1 2 0 0 0 7 2 1 0 0 0 8 3 2 0 0 0 9 11 2 0 0 0 10 7 1 0 0 0 11 10 1 0 0 0 12 3 1 0 0 0 13 4 2 0 0 0 14 4 1 0 0 0 15 16 2 0 0 0 16 17 1 0 0 0 17 10 2 0 0 0 18 20 1 0 0 0 19 13 1 0 0 0 20 14 2 0 0 0 21 12 1 0 0 0 22 18 1 0 0 0 23 9 1 0 0 0 24 15 1 0 0 0 25 22 1 0 0 0 26 23 2 0 0 0 27 24 2 0 0 0 18 19 2 0 0 0 15 9 1 0 0 0 27 26 1 0 0 0 M END > 7.85387196432176 > 6.23433144524099 $$$$ 11280715482D 1 1.00000 0.00000 0 31 33 0 0 0 999 V2000 2.7792 -1.3000 0.0000 S 0 0 3 0 0 0 0 0 0 1.9542 -1.3417 0.0000 N 0 0 3 0 0 0 0 0 0 1.5042 -0.6417 0.0000 C 0 0 3 0 0 0 0 0 0 0.3042 -1.4125 0.0000 N 0 0 3 0 0 0 0 0 0 -0.5208 -1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0.6875 -0.6792 0.0000 C 0 0 0 0 0 0 0 0 0 1.8875 0.0875 0.0000 C 0 0 0 0 0 0 0 0 0 1.5792 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0 -0.9708 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 3.6000 -1.2625 0.0000 C 0 0 0 0 0 0 0 0 0 2.7750 -2.1250 0.0000 O 0 0 0 0 0 0 0 0 0 2.7750 -0.4750 0.0000 O 0 0 0 0 0 0 0 0 0 -0.6708 0.0375 0.0000 S 0 0 0 0 0 0 0 0 0 6.1417 -2.5667 0.0000 C 0 0 0 0 0 0 0 0 0 5.7292 -3.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0.7542 -2.1042 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8958 -2.1792 0.0000 O 0 0 0 0 0 0 0 0 0 2.6792 0.3083 0.0000 O 0 0 0 0 0 0 0 0 0 -1.8083 -0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3208 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 1.3667 0.7333 0.0000 N 0 0 0 0 0 0 0 0 0 -2.0250 0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 4.0417 -1.9542 0.0000 C 0 0 0 0 0 0 0 0 0 3.9792 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 5.2500 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 4.8042 -0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 4.8667 -1.9167 0.0000 C 0 0 0 0 0 0 0 0 0 1.6667 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 6.5250 -1.8292 0.0000 C 0 0 0 0 0 0 0 0 0 6.0750 -1.1417 0.0000 O 0 0 0 0 0 0 0 0 0 5.3125 -3.9917 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 16 1 0 0 0 5 4 1 0 0 0 6 3 1 0 0 0 7 3 1 0 0 0 8 2 1 0 0 0 9 5 1 0 0 0 10 1 1 0 0 0 11 1 2 0 0 0 12 1 2 0 0 0 13 9 1 0 0 0 14 29 1 0 0 0 15 14 3 0 0 0 16 8 1 0 0 0 17 5 2 0 0 0 18 7 2 0 0 0 19 9 2 0 0 0 20 13 1 0 0 0 21 7 1 0 0 0 22 19 1 0 0 0 23 10 1 0 0 0 24 10 2 0 0 0 25 26 2 0 0 0 26 24 1 0 0 0 27 23 2 0 0 0 28 21 1 0 0 0 29 30 1 0 0 0 30 25 1 0 0 0 31 15 1 0 0 0 27 25 1 0 0 0 6 4 1 0 0 0 20 22 2 0 0 0 M END > 6.92445303860747 > 6.30277065724028 $$$$ 11280715252D 1 1.00000 0.00000 0 35 39 0 1 0 999 V2000 -1.1958 -10.0792 0.0000 S 0 0 3 0 0 0 0 0 0 -0.4125 -9.8250 0.0000 N 0 0 3 0 0 0 0 0 0 -0.4208 -9.0000 0.0000 C 0 0 0 0 0 0 0 0 0 -1.2083 -8.7542 0.0000 C 0 0 0 0 0 0 0 0 0 -1.6833 -9.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0.2542 -10.3042 0.0000 C 0 0 0 0 0 0 0 0 0 1.7042 -10.5417 0.0000 C 0 0 1 0 0 0 0 0 0 1.0417 -10.0542 0.0000 C 0 0 1 0 0 0 0 0 0 2.3792 -10.0625 0.0000 C 0 0 1 0 0 0 0 0 0 1.7000 -11.3667 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6125 -10.6667 0.0000 O 0 0 0 0 0 0 0 0 0 -1.9125 -10.4917 0.0000 O 0 0 0 0 0 0 0 0 0 3.1542 -10.3250 0.0000 S 0 0 0 0 0 0 0 0 0 0.2417 -8.5042 0.0000 O 0 0 0 0 0 0 0 0 0 1.3000 -9.2667 0.0000 C 0 0 0 0 0 0 0 0 0 2.1292 -9.2750 0.0000 C 0 0 0 0 0 0 0 0 0 5.0125 -8.6792 0.0000 C 0 0 0 0 0 0 0 0 0 5.6250 -8.1375 0.0000 C 0 0 0 0 0 0 0 0 0 2.4125 -11.7875 0.0000 O 0 0 0 0 0 0 0 0 0 3.7792 -9.7750 0.0000 C 0 0 0 0 0 0 0 0 0 5.1750 -9.4917 0.0000 C 0 0 0 0 0 0 0 0 0 6.4042 -8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 5.4542 -7.3292 0.0000 C 0 0 0 0 0 0 0 0 0 4.2250 -8.4250 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5458 -8.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0.9792 -11.7792 0.0000 O 0 0 0 0 0 0 0 0 0 6.8542 -7.0417 0.0000 C 0 0 0 0 0 0 0 0 0 3.6042 -8.9750 0.0000 C 0 0 0 0 0 0 0 0 0 4.5542 -10.0417 0.0000 C 0 0 0 0 0 0 0 0 0 7.0250 -7.8500 0.0000 C 0 0 0 0 0 0 0 0 0 6.0667 -6.7792 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4958 -9.3417 0.0000 C 0 0 0 0 0 0 0 0 0 7.4750 -6.4917 0.0000 Cl 0 0 0 0 0 0 0 0 0 -2.3583 -7.9250 0.0000 C 0 0 0 0 0 0 0 0 0 -2.8375 -8.5917 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 5 2 0 0 0 5 1 1 0 0 0 6 2 1 0 0 0 7 8 1 0 0 0 8 6 1 6 0 0 9 7 1 0 0 0 7 10 1 1 0 0 11 1 2 0 0 0 12 1 2 0 0 0 9 13 1 6 0 0 14 3 2 0 0 0 15 8 1 0 0 0 16 15 1 0 0 0 17 21 2 0 0 0 18 17 1 0 0 0 19 10 2 0 0 0 20 13 1 0 0 0 21 29 1 0 0 0 22 18 2 0 0 0 23 18 1 0 0 0 24 28 2 0 0 0 25 4 1 0 0 0 26 10 1 0 0 0 27 31 1 0 0 0 28 20 1 0 0 0 29 20 2 0 0 0 30 22 1 0 0 0 31 23 2 0 0 0 32 5 1 0 0 0 33 27 1 0 0 0 34 35 1 0 0 0 35 32 2 0 0 0 3 4 1 0 0 0 25 34 2 0 0 0 9 16 1 0 0 0 17 24 1 0 0 0 30 27 2 0 0 0 M END > 7.09691001300806 > 5.67778070526608 $$$$ 11280715072D 1 1.00000 0.00000 0 40 42 0 1 0 999 V2000 5.3792 -2.5917 0.0000 N 0 0 0 0 0 0 0 0 0 4.6667 -3.0125 0.0000 C 0 0 0 0 0 0 0 0 0 2.5250 -2.6125 0.0000 P 0 0 3 0 0 0 0 0 0 3.9500 -2.6042 0.0000 C 0 0 3 0 0 0 0 0 0 6.0917 -3.0042 0.0000 C 0 0 2 0 0 0 0 0 0 6.8042 -2.5875 0.0000 C 0 0 0 0 0 0 0 0 0 3.2375 -3.0167 0.0000 C 0 0 0 0 0 0 0 0 0 6.1000 -3.8292 0.0000 C 0 0 3 0 0 0 0 0 0 2.5167 -1.7875 0.0000 O 0 0 0 0 0 0 0 0 0 4.6667 -3.8375 0.0000 O 0 0 0 0 0 0 0 0 0 3.9417 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 6.8042 -1.7625 0.0000 O 0 0 0 0 0 0 0 0 0 1.8125 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 7.5250 -3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 2.5167 -3.4375 0.0000 O 0 0 0 0 0 0 0 0 0 1.0917 -2.6167 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3333 -1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0500 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 3.9417 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 4.6542 -1.3625 0.0000 C 0 0 0 0 0 0 0 0 0 4.6542 -0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 3.9292 0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0.3667 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0.3792 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3333 -2.6250 0.0000 C 0 0 0 0 0 0 0 0 0 1.0875 -1.7875 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7625 -1.8042 0.0000 C 0 0 0 0 0 0 0 0 0 5.3625 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 5.2750 -3.8250 0.0000 C 0 0 0 0 0 0 0 0 0 6.9250 -3.8292 0.0000 C 0 0 0 0 0 0 0 0 0 6.1125 -4.6542 0.0000 C 0 0 0 0 0 0 0 0 0 5.3667 -0.1250 0.0000 C 0 0 0 0 0 0 0 0 0 4.6417 1.1083 0.0000 C 0 0 0 0 0 0 0 0 0 8.2375 -2.5792 0.0000 C 0 0 0 0 0 0 0 0 0 3.2125 1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7625 -2.6375 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4833 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4833 -3.0500 0.0000 C 0 0 0 0 0 0 0 0 0 -3.1958 -1.8125 0.0000 C 0 0 0 0 0 0 0 0 0 -3.1958 -2.6375 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 7 1 0 0 0 4 2 1 0 0 0 5 1 1 0 0 0 6 5 1 0 0 0 7 4 1 0 0 0 5 8 1 6 0 0 9 3 2 0 0 0 10 2 2 0 0 0 4 11 1 0 0 0 12 6 2 0 0 0 13 3 1 0 0 0 14 6 1 0 0 0 15 3 1 0 0 0 16 13 1 0 0 0 17 23 1 0 0 0 18 17 1 0 0 0 19 21 1 0 0 0 20 11 1 0 0 0 21 20 1 0 0 0 22 19 2 0 0 0 23 26 2 0 0 0 24 16 2 0 0 0 25 24 1 0 0 0 26 16 1 0 0 0 27 18 1 0 0 0 28 32 1 0 0 0 29 8 1 0 0 0 30 8 1 0 0 0 31 8 1 0 0 0 32 21 2 0 0 0 33 28 2 0 0 0 34 14 1 0 0 0 35 22 1 0 0 0 36 27 1 0 0 0 37 27 2 0 0 0 38 36 2 0 0 0 39 37 1 0 0 0 40 39 2 0 0 0 33 22 1 0 0 0 25 17 2 0 0 0 40 38 1 0 0 0 M END > 8.36653154442041 > 6.92081875395237 $$$$ SciTegic11161115462D 38 41 0 0 0 0 999 V2000 7.7655 -25.7586 0.0000 C 0 0 7.0493 -26.1701 0.0000 C 0 0 7.0475 -26.9915 0.0000 C 0 0 7.7602 -27.4077 0.0000 N 0 0 8.4764 -26.9962 0.0000 C 0 0 8.4799 -26.1686 0.0000 C 0 0 8.4798 -25.3460 0.0000 S 0 0 8.8922 -24.6314 0.0000 O 0 0 8.0672 -24.6316 0.0000 O 0 0 9.1944 -25.7583 0.0000 C 0 0 9.1932 -26.5857 0.0000 C 0 0 9.9081 -26.9985 0.0000 C 0 0 10.6245 -26.5852 0.0000 C 0 0 10.6216 -25.7547 0.0000 C 0 0 9.9063 -25.3455 0.0000 C 0 0 11.3396 -26.9966 0.0000 O 0 0 7.0509 -25.3463 0.0000 C 0 0 7.0507 -24.5213 0.0000 O 0 0 6.3365 -25.7590 0.0000 N 0 0 5.6219 -25.3466 0.0000 O 0 0 12.0534 -26.5829 0.0000 C 0 0 12.7652 -26.9948 0.0000 C 0 0 12.7575 -25.3447 0.0000 C 0 0 12.0472 -25.7600 0.0000 C 0 0 13.4747 -25.7540 0.0000 C 0 0 13.4814 -26.5779 0.0000 C 0 0 14.1865 -25.3369 0.0000 O 0 0 7.7573 -28.2327 0.0000 C 0 0 14.9036 -25.7447 0.0000 C 0 0 15.6154 -25.3275 0.0000 F 0 0 14.9090 -26.5696 0.0000 F 0 0 15.6125 -26.1542 0.0000 F 0 0 7.0414 -28.6426 0.0000 C 0 0 6.3295 -28.2254 0.0000 N 0 0 5.6141 -28.6347 0.0000 C 0 0 5.6107 -29.4605 0.0000 C 0 0 6.3287 -29.8754 0.0000 C 0 0 7.0412 -29.4638 0.0000 C 0 0 2 3 1 0 17 19 1 0 3 4 1 0 19 20 1 0 10 11 2 0 16 21 1 0 4 5 1 0 21 22 2 0 22 26 1 0 11 12 1 0 25 23 1 0 5 6 1 0 23 24 2 0 24 21 1 0 25 26 2 0 12 13 2 0 8 7 2 0 13 14 1 0 25 27 1 0 7 9 2 0 4 28 1 0 14 15 2 0 27 29 1 0 15 10 1 0 29 30 1 0 29 31 1 0 13 16 1 0 29 32 1 0 10 7 1 0 28 33 1 0 7 1 1 0 33 34 2 0 1 2 1 0 34 35 1 0 1 17 1 0 35 36 2 0 1 6 1 0 36 37 1 0 17 18 2 0 37 38 2 0 38 33 1 0 M END > 10 > 5.22184874961636 $$$$ 11280715092D 1 1.00000 0.00000 0 35 37 0 0 0 999 V2000 4.7417 -1.3542 0.0000 S 0 0 3 0 0 0 0 0 0 4.1667 -1.2042 0.0000 N 0 0 0 0 0 0 0 0 0 3.6417 -1.5042 0.0000 C 0 0 3 0 0 0 0 0 0 3.6292 -3.3042 0.0000 N 0 0 3 0 0 0 0 0 0 3.6167 -3.9042 0.0000 C 0 0 0 0 0 0 0 0 0 3.1167 -1.2042 0.0000 C 0 0 0 0 0 0 0 0 0 5.3167 -1.1917 0.0000 C 0 0 0 0 0 0 0 0 0 4.9917 -0.8292 0.0000 O 0 0 0 0 0 0 0 0 0 4.8917 -1.9292 0.0000 O 0 0 0 0 0 0 0 0 0 3.6417 -2.1042 0.0000 C 0 0 3 0 0 0 0 0 0 4.1417 -3.0042 0.0000 C 0 0 0 0 0 0 0 0 0 3.1042 -2.9917 0.0000 C 0 0 0 0 0 0 0 0 0 3.0917 -4.1917 0.0000 O 0 0 0 0 0 0 0 0 0 6.3542 -0.5917 0.0000 C 0 0 0 0 0 0 0 0 0 6.8792 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 3.1167 -0.6042 0.0000 O 0 0 0 0 0 0 0 0 0 5.3167 -0.5917 0.0000 C 0 0 0 0 0 0 0 0 0 5.8417 -1.4917 0.0000 C 0 0 0 0 0 0 0 0 0 3.1167 -2.3917 0.0000 C 0 0 0 0 0 0 0 0 0 4.1542 -2.4042 0.0000 C 0 0 0 0 0 0 0 0 0 6.3542 -1.1917 0.0000 C 0 0 0 0 0 0 0 0 0 5.8292 -0.2917 0.0000 C 0 0 0 0 0 0 0 0 0 7.4042 -0.5792 0.0000 C 0 0 0 0 0 0 0 0 0 6.8667 0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 4.1417 -4.2042 0.0000 O 0 0 0 0 0 0 0 0 0 2.6042 -1.5042 0.0000 O 0 0 0 0 0 0 0 0 0 7.9042 0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 7.9167 -0.2667 0.0000 C 0 0 0 0 0 0 0 0 0 7.3792 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 8.4292 0.6333 0.0000 O 0 0 0 0 0 0 0 0 0 5.6917 -3.8917 0.0000 O 0 0 0 0 0 0 0 0 0 4.6542 -3.8917 0.0000 C 0 0 0 0 0 0 0 0 0 5.1667 -4.1917 0.0000 C 0 0 0 0 0 0 0 0 0 9.0042 0.4833 0.0000 C 0 0 0 0 0 0 0 0 0 6.2042 -4.1917 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 11 1 0 0 0 5 4 1 0 0 0 6 3 1 0 0 0 7 1 1 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 3 1 0 0 0 11 20 1 0 0 0 12 19 1 0 0 0 13 5 2 0 0 0 14 21 2 0 0 0 15 14 1 0 0 0 16 6 2 0 0 0 17 7 1 0 0 0 18 7 2 0 0 0 19 10 1 0 0 0 20 10 1 0 0 0 21 18 1 0 0 0 22 17 2 0 0 0 23 15 2 0 0 0 24 15 1 0 0 0 25 5 1 0 0 0 26 6 1 0 0 0 27 29 1 0 0 0 28 23 1 0 0 0 29 24 2 0 0 0 30 27 1 0 0 0 31 33 1 0 0 0 32 25 1 0 0 0 33 32 1 0 0 0 34 30 1 0 0 0 35 31 1 0 0 0 22 14 1 0 0 0 12 4 1 0 0 0 28 27 2 0 0 0 M END > 9.39794000867204 > 8.09151498112135 $$$$ 11280715072D 1 1.00000 0.00000 0 40 42 0 1 0 999 V2000 5.3792 -2.5917 0.0000 N 0 0 0 0 0 0 0 0 0 4.6667 -3.0125 0.0000 C 0 0 0 0 0 0 0 0 0 2.5250 -2.6125 0.0000 P 0 0 3 0 0 0 0 0 0 3.9500 -2.6042 0.0000 C 0 0 3 0 0 0 0 0 0 6.0917 -3.0042 0.0000 C 0 0 2 0 0 0 0 0 0 6.8042 -2.5875 0.0000 C 0 0 0 0 0 0 0 0 0 3.2375 -3.0167 0.0000 C 0 0 0 0 0 0 0 0 0 6.1000 -3.8292 0.0000 C 0 0 3 0 0 0 0 0 0 2.5167 -1.7875 0.0000 O 0 0 0 0 0 0 0 0 0 4.6667 -3.8375 0.0000 O 0 0 0 0 0 0 0 0 0 3.9417 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 6.8042 -1.7625 0.0000 O 0 0 0 0 0 0 0 0 0 1.8125 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 7.5250 -3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 -1.7625 -1.8042 0.0000 C 0 0 0 0 0 0 0 0 0 2.5167 -3.4375 0.0000 O 0 0 0 0 0 0 0 0 0 -1.0500 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4833 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 1.0917 -2.6167 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3333 -1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 4.6542 -1.3625 0.0000 C 0 0 0 0 0 0 0 0 0 -3.1958 -1.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0.3792 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3333 -2.6250 0.0000 C 0 0 0 0 0 0 0 0 0 1.0875 -1.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0.3667 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 4.6542 -0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4833 -3.0500 0.0000 C 0 0 0 0 0 0 0 0 0 5.2750 -3.8250 0.0000 C 0 0 0 0 0 0 0 0 0 6.9250 -3.8292 0.0000 C 0 0 0 0 0 0 0 0 0 6.1125 -4.6542 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7625 -2.6375 0.0000 C 0 0 0 0 0 0 0 0 0 -3.1958 -2.6375 0.0000 C 0 0 0 0 0 0 0 0 0 8.2375 -2.5792 0.0000 C 0 0 0 0 0 0 0 0 0 -3.9083 -1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 3.9417 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 5.3667 -0.1250 0.0000 C 0 0 0 0 0 0 0 0 0 5.3625 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 3.9292 0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 4.6417 1.1083 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 7 1 0 0 0 4 2 1 0 0 0 5 1 1 0 0 0 6 5 1 0 0 0 7 4 1 0 0 0 5 8 1 6 0 0 9 3 2 0 0 0 10 2 2 0 0 0 4 11 1 0 0 0 12 6 2 0 0 0 13 3 1 0 0 0 14 6 1 0 0 0 15 17 1 0 0 0 16 3 1 0 0 0 17 20 1 0 0 0 18 15 2 0 0 0 19 13 1 0 0 0 20 26 1 0 0 0 21 11 1 0 0 0 22 18 1 0 0 0 23 19 2 0 0 0 24 23 1 0 0 0 25 19 1 0 0 0 26 25 2 0 0 0 27 21 1 0 0 0 28 32 2 0 0 0 29 8 1 0 0 0 30 8 1 0 0 0 31 8 1 0 0 0 32 15 1 0 0 0 33 28 1 0 0 0 34 14 1 0 0 0 35 22 1 0 0 0 36 27 1 0 0 0 37 27 2 0 0 0 38 37 1 0 0 0 39 36 2 0 0 0 40 38 2 0 0 0 40 39 1 0 0 0 24 20 2 0 0 0 33 22 2 0 0 0 M END > 7.43179827593301 > 5.63827216398241 $$$$ 11280715242D 1 1.00000 0.00000 0 28 29 0 1 0 999 V2000 4.8750 -1.6667 0.0000 S 0 0 3 0 0 0 0 0 0 4.8750 -2.2667 0.0000 N 0 0 3 0 0 0 0 0 0 4.3625 -2.5667 0.0000 C 0 0 3 0 0 0 0 0 0 4.8750 -3.4667 0.0000 N 0 0 3 0 0 0 0 0 0 4.8750 -4.0667 0.0000 C 0 0 0 0 0 0 0 0 0 4.3625 -3.1667 0.0000 C 0 0 0 0 0 0 0 0 0 3.8417 -2.2667 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -2.5667 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -1.3625 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -4.3667 0.0000 C 0 0 2 0 0 0 0 0 0 4.3250 -1.2792 0.0000 O 0 0 0 0 0 0 0 0 0 5.5875 -2.0792 0.0000 O 0 0 0 0 0 0 0 0 0 5.3917 -3.1667 0.0000 C 0 0 0 0 0 0 0 0 0 4.3542 -4.3625 0.0000 O 0 0 0 0 0 0 0 0 0 3.8375 -1.6667 0.0000 O 0 0 0 0 0 0 0 0 0 3.3167 -2.5667 0.0000 N 0 0 0 0 0 0 0 0 0 5.9125 -1.6625 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -0.7667 0.0000 C 0 0 0 0 0 0 0 0 0 5.9167 -4.0667 0.0000 C 0 0 3 0 0 0 0 0 0 5.3917 -4.9667 0.0000 O 0 0 0 0 0 0 0 0 0 6.4292 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 5.9042 -0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 6.4292 -1.3625 0.0000 C 0 0 0 0 0 0 0 0 0 2.8000 -2.2667 0.0000 O 0 0 0 0 0 0 0 0 0 6.9500 -0.4625 0.0000 O 0 0 0 0 0 0 0 0 0 5.9167 -3.4667 0.0000 C 0 0 0 0 0 0 0 0 0 6.4292 -4.3667 0.0000 C 0 0 0 0 0 0 0 0 0 7.4667 -0.7542 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 13 1 0 0 0 5 4 1 0 0 0 6 3 1 0 0 0 7 3 1 0 0 0 8 2 1 0 0 0 9 1 1 0 0 0 10 5 1 0 0 0 11 1 2 0 0 0 12 1 2 0 0 0 13 8 1 0 0 0 14 5 2 0 0 0 15 7 2 0 0 0 16 7 1 0 0 0 17 9 2 0 0 0 18 9 1 0 0 0 19 10 1 0 0 0 10 20 1 6 0 0 21 22 1 0 0 0 22 18 2 0 0 0 23 17 1 0 0 0 24 16 1 0 0 0 25 21 1 0 0 0 26 19 1 0 0 0 27 19 1 0 0 0 28 25 1 0 0 0 21 23 2 0 0 0 4 6 1 0 0 0 M END > 9 > 6.64397414280688 $$$$ 11280714592D 1 1.00000 0.00000 0 38 40 0 0 0 999 V2000 5.2667 -5.2750 0.0000 S 0 0 3 0 0 0 0 0 0 7.8667 -7.9792 0.0000 S 0 0 3 0 0 0 0 0 0 4.7417 -4.9750 0.0000 N 0 0 3 0 0 0 0 0 0 7.8542 -7.3750 0.0000 N 0 0 0 0 0 0 0 0 0 6.8375 -3.1625 0.0000 N 0 3 0 0 0 0 0 0 0 7.3417 -7.0667 0.0000 C 0 0 0 0 0 0 0 0 0 4.2167 -5.2750 0.0000 C 0 0 0 0 0 0 0 0 0 5.7792 -5.5750 0.0000 C 0 0 0 0 0 0 0 0 0 7.8542 -8.5792 0.0000 C 0 0 0 0 0 0 0 0 0 3.6917 -4.9750 0.0000 C 0 0 0 0 0 0 0 0 0 4.9667 -5.7917 0.0000 O 0 0 0 0 0 0 0 0 0 5.5792 -4.7542 0.0000 O 0 0 0 0 0 0 0 0 0 6.3125 -3.4625 0.0000 C 0 0 0 0 0 0 0 0 0 8.4667 -7.9792 0.0000 O 0 0 0 0 0 0 0 0 0 7.2625 -7.9792 0.0000 O 0 0 0 0 0 0 0 0 0 7.3417 -6.4667 0.0000 N 0 0 0 0 0 0 0 0 0 7.3542 -3.4625 0.0000 O 0 5 0 0 0 0 0 0 0 4.7417 -4.3667 0.0000 C 0 0 0 0 0 0 0 0 0 6.8375 -2.5542 0.0000 O 0 0 0 0 0 0 0 0 0 6.8167 -7.3792 0.0000 O 0 0 0 0 0 0 0 0 0 3.1792 -5.2750 0.0000 O 0 0 0 0 0 0 0 0 0 5.7792 -6.1667 0.0000 C 0 0 0 0 0 0 0 0 0 6.3000 -5.2667 0.0000 C 0 0 0 0 0 0 0 0 0 7.3292 -8.8750 0.0000 C 0 0 0 0 0 0 0 0 0 8.3750 -8.8750 0.0000 C 0 0 0 0 0 0 0 0 0 5.7792 -3.1625 0.0000 C 0 0 0 0 0 0 0 0 0 6.3125 -4.0667 0.0000 C 0 0 0 0 0 0 0 0 0 6.8167 -6.1667 0.0000 C 0 0 0 0 0 0 0 0 0 5.2667 -4.0667 0.0000 C 0 0 0 0 0 0 0 0 0 3.6917 -4.3667 0.0000 O 0 0 0 0 0 0 0 0 0 6.8167 -5.5667 0.0000 C 0 0 0 0 0 0 0 0 0 6.3000 -6.4667 0.0000 C 0 0 0 0 0 0 0 0 0 5.7917 -4.3667 0.0000 C 0 0 0 0 0 0 0 0 0 5.2667 -3.4625 0.0000 C 0 0 0 0 0 0 0 0 0 8.3750 -9.4792 0.0000 C 0 0 0 0 0 0 0 0 0 7.3292 -9.4750 0.0000 C 0 0 0 0 0 0 0 0 0 7.8417 -9.7792 0.0000 C 0 0 0 0 0 0 0 0 0 7.8417 -10.3875 0.0000 C 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 3 1 1 0 0 0 4 6 1 0 0 0 5 13 1 0 0 0 6 16 1 0 0 0 7 3 1 0 0 0 8 1 1 0 0 0 9 2 1 0 0 0 10 7 1 0 0 0 11 1 2 0 0 0 12 1 2 0 0 0 13 26 1 0 0 0 14 2 2 0 0 0 15 2 2 0 0 0 16 28 1 0 0 0 17 5 1 0 0 0 18 3 1 0 0 0 19 5 2 0 0 0 20 6 2 0 0 0 21 10 2 0 0 0 22 8 2 0 0 0 23 8 1 0 0 0 24 9 2 0 0 0 25 9 1 0 0 0 26 34 2 0 0 0 27 33 1 0 0 0 28 31 1 0 0 0 29 18 1 0 0 0 30 10 1 0 0 0 31 23 2 0 0 0 32 22 1 0 0 0 33 29 2 0 0 0 34 29 1 0 0 0 35 25 2 0 0 0 36 24 1 0 0 0 37 35 1 0 0 0 38 37 1 0 0 0 32 28 2 0 0 0 27 13 2 0 0 0 36 37 2 0 0 0 M CHG 2 5 1 17 -1 M END > 7.52287874528034 > 7.52287874528034 $$$$ 11280715312D 1 1.00000 0.00000 0 32 34 0 1 0 999 V2000 0.0167 -2.0292 0.0000 N 0 0 3 0 0 0 0 0 0 0.0167 -1.4292 0.0000 S 0 0 3 0 0 0 0 0 0 0.6667 -3.4417 0.0000 N 0 0 3 0 0 0 0 0 0 1.2750 -3.4417 0.0000 C 0 0 0 0 0 0 0 0 0 -0.4708 -2.3792 0.0000 C 0 0 2 0 0 0 0 0 0 0.4875 -4.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0.3167 -2.9542 0.0000 C 0 0 2 0 0 0 0 0 0 1.4542 -4.0042 0.0000 N 0 0 3 0 0 0 0 0 0 0.5042 -2.3792 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2833 -2.9542 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0375 -2.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0.9750 -4.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0.5375 -1.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0.0125 -0.8292 0.0000 O 0 0 0 0 0 0 0 0 0 -0.5708 -1.2750 0.0000 O 0 0 0 0 0 0 0 0 0 1.6250 -2.9542 0.0000 O 0 0 0 0 0 0 0 0 0 0.0250 -4.2042 0.0000 O 0 0 0 0 0 0 0 0 0 -1.1625 -1.6125 0.0000 O 0 0 0 0 0 0 0 0 0 -1.4833 -2.6000 0.0000 N 0 0 0 0 0 0 0 0 0 0.5375 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 1.0542 -1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 2.1542 -4.7792 0.0000 C 0 0 0 0 0 0 0 0 0 2.0292 -4.1917 0.0000 C 0 0 0 0 0 0 0 0 0 2.7250 -4.9667 0.0000 C 0 0 0 0 0 0 0 0 0 1.5792 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 1.0542 -0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 1.5792 -1.1292 0.0000 C 0 0 0 0 0 0 0 0 0 -2.0583 -2.4167 0.0000 O 0 0 0 0 0 0 0 0 0 2.0917 -0.2292 0.0000 O 0 0 0 0 0 0 0 0 0 2.6167 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 3.1292 -0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 3.6500 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 7 3 1 1 0 0 4 3 1 0 0 0 5 1 1 0 0 0 6 3 1 0 0 0 7 9 1 0 0 0 8 4 1 0 0 0 9 1 1 0 0 0 5 10 1 6 0 0 11 5 1 0 0 0 12 6 1 0 0 0 13 2 1 0 0 0 14 2 2 0 0 0 15 2 2 0 0 0 16 4 2 0 0 0 17 6 2 0 0 0 18 11 2 0 0 0 19 11 1 0 0 0 20 13 1 0 0 0 21 13 2 0 0 0 22 23 1 0 0 0 23 8 1 0 0 0 24 22 2 0 0 0 25 27 2 0 0 0 26 20 2 0 0 0 27 21 1 0 0 0 28 19 1 0 0 0 29 25 1 0 0 0 30 29 1 0 0 0 31 30 1 0 0 0 32 31 1 0 0 0 7 10 1 0 0 0 25 26 1 0 0 0 8 12 1 0 0 0 M END > 9.39794000867204 > 6.45593195564972 $$$$ 11280714532D 1 1.00000 0.00000 0 37 40 0 0 0 999 V2000 2.3792 -0.5667 0.0000 S 0 0 3 0 0 0 0 0 0 1.6750 -0.9875 0.0000 N 0 0 3 0 0 0 0 0 0 1.6792 -1.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0.9667 -2.2250 0.0000 C 0 0 0 0 0 0 0 0 0 2.3917 -2.2250 0.0000 C 0 0 0 0 0 0 0 0 0 2.3917 -3.0500 0.0000 C 0 0 0 0 0 0 0 0 0 3.1125 -3.4625 0.0000 C 0 0 0 0 0 0 0 0 0 3.1125 -4.2875 0.0000 C 0 0 3 0 0 0 0 0 0 1.6792 -3.4667 0.0000 N 0 0 0 0 0 0 0 0 0 0.2542 -1.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0.9667 -3.0542 0.0000 C 0 0 0 0 0 0 0 0 0 3.1000 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 1.9667 0.1500 0.0000 O 0 0 0 0 0 0 0 0 0 2.7917 -1.2792 0.0000 O 0 0 0 0 0 0 0 0 0 0.9542 -0.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0.2542 -0.9917 0.0000 O 0 0 0 0 0 0 0 0 0 -0.4625 -2.2292 0.0000 N 0 0 0 0 0 0 0 0 0 3.1167 -5.0375 0.0000 F 0 0 0 0 0 0 0 0 0 3.9375 -4.2875 0.0000 F 0 0 0 0 0 0 0 0 0 2.2875 -4.2875 0.0000 F 0 0 0 0 0 0 0 0 0 3.8042 -0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 3.1042 0.6583 0.0000 C 0 0 0 0 0 0 0 0 0 3.1042 -1.8042 0.0000 C 0 0 0 0 0 0 0 0 0 3.8250 -3.0417 0.0000 C 0 0 0 0 0 0 0 0 0 4.5375 0.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0.9500 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 3.8250 1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 4.5292 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1750 -1.8167 0.0000 O 0 0 0 0 0 0 0 0 0 5.2542 1.0458 0.0000 O 0 0 0 0 0 0 0 0 0 3.8167 -2.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0.2292 0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 1.6667 0.6625 0.0000 C 0 0 0 0 0 0 0 0 0 5.9667 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 1.6542 1.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0.2250 1.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0.9292 1.8958 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 3 2 0 0 0 6 5 1 0 0 0 7 6 1 0 0 0 8 7 1 0 0 0 9 6 2 0 0 0 10 4 1 0 0 0 11 4 2 0 0 0 12 1 1 0 0 0 13 1 2 0 0 0 14 1 2 0 0 0 15 2 1 0 0 0 16 10 2 0 0 0 17 10 1 0 0 0 18 8 1 0 0 0 19 8 1 0 0 0 20 8 1 0 0 0 21 12 2 0 0 0 22 12 1 0 0 0 23 5 1 0 0 0 24 31 1 0 0 0 25 27 1 0 0 0 26 15 1 0 0 0 27 22 2 0 0 0 28 21 1 0 0 0 29 17 1 0 0 0 30 25 1 0 0 0 31 23 2 0 0 0 32 26 2 0 0 0 33 26 1 0 0 0 34 30 1 0 0 0 35 33 2 0 0 0 36 32 1 0 0 0 37 35 1 0 0 0 25 28 2 0 0 0 9 11 1 0 0 0 36 37 2 0 0 0 24 7 2 0 0 0 M END > 9 > 6.0301183562535 $$$$ 11280715162D 1 1.00000 0.00000 0 39 42 0 0 0 999 V2000 2.9792 -1.1667 0.0000 S 0 0 3 0 0 0 0 0 0 2.2542 -0.7625 0.0000 N 0 0 3 0 0 0 0 0 0 1.5500 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0.8292 -0.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0.8292 0.0583 0.0000 C 0 0 0 0 0 0 0 0 0 3.6917 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 2.9792 -1.9917 0.0000 O 0 0 0 0 0 0 0 0 0 3.6917 -0.7542 0.0000 O 0 0 0 0 0 0 0 0 0 2.2542 0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 7.2417 1.3458 0.0000 N 0 0 3 0 0 0 0 0 0 1.5500 -2.0042 0.0000 C 0 0 0 0 0 0 0 0 0 1.5417 0.4708 0.0000 O 0 0 0 0 0 0 0 0 0 0.1167 0.4708 0.0000 N 0 0 0 0 0 0 0 0 0 3.6875 -2.4042 0.0000 C 0 0 0 0 0 0 0 0 0 4.3917 -1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 2.9667 0.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0.1167 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 5.1125 -2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 4.3875 1.3208 0.0000 C 0 0 0 0 0 0 0 0 0 5.1042 -1.5750 0.0000 C 0 0 0 0 0 0 0 0 0 4.4000 -2.8125 0.0000 C 0 0 0 0 0 0 0 0 0 2.9542 1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 3.6875 0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0.1125 1.2958 0.0000 O 0 0 0 0 0 0 0 0 0 4.3917 0.4958 0.0000 C 0 0 0 0 0 0 0 0 0 3.6667 1.7208 0.0000 C 0 0 0 0 0 0 0 0 0 5.1000 1.7375 0.0000 O 0 0 0 0 0 0 0 0 0 6.5292 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 5.8167 1.3333 0.0000 C 0 0 0 0 0 0 0 0 0 5.8167 -2.8042 0.0000 O 0 0 0 0 0 0 0 0 0 7.2500 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 7.9500 1.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0.1167 -2.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0.8292 -2.4167 0.0000 C 0 0 0 0 0 0 0 0 0 2.2667 -2.4167 0.0000 C 0 0 0 0 0 0 0 0 0 6.5292 -2.3917 0.0000 C 0 0 0 0 0 0 0 0 0 8.6667 1.3708 0.0000 C 0 0 0 0 0 0 0 0 0 7.9667 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 8.6792 0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 2 0 0 0 5 4 1 0 0 0 6 1 1 0 0 0 7 1 2 0 0 0 8 1 2 0 0 0 9 2 1 0 0 0 10 28 1 0 0 0 11 3 1 0 0 0 12 5 2 0 0 0 13 5 1 0 0 0 14 6 2 0 0 0 15 6 1 0 0 0 16 9 1 0 0 0 17 4 1 0 0 0 18 20 1 0 0 0 19 25 2 0 0 0 20 15 2 0 0 0 21 14 1 0 0 0 22 16 1 0 0 0 23 16 2 0 0 0 24 13 1 0 0 0 25 23 1 0 0 0 26 22 2 0 0 0 27 19 1 0 0 0 28 29 1 0 0 0 29 27 1 0 0 0 30 18 1 0 0 0 31 10 1 0 0 0 32 10 1 0 0 0 33 34 1 0 0 0 34 11 2 0 0 0 35 11 1 0 0 0 36 30 1 0 0 0 37 32 1 0 0 0 38 31 1 0 0 0 39 37 1 0 0 0 18 21 2 0 0 0 19 26 1 0 0 0 33 17 2 0 0 0 39 38 1 0 0 0 M END > 7.2518119729938 > 6.75448733218585 $$$$ 11280715142D 1 1.00000 0.00000 0 29 31 0 0 0 999 V2000 3.5417 -1.1667 0.0000 N 0 0 3 0 0 0 0 0 0 3.9625 -0.4667 0.0000 S 0 0 3 0 0 0 0 0 0 2.7125 -1.1625 0.0000 C 0 0 3 0 0 0 0 0 0 3.7917 -1.9625 0.0000 C 0 0 0 0 0 0 0 0 0 2.4417 -1.9500 0.0000 C 0 0 0 0 0 0 0 0 0 2.3125 -0.4417 0.0000 C 0 0 0 0 0 0 0 0 0 3.1167 -2.4417 0.0000 C 0 0 3 0 0 0 0 0 0 3.1125 -3.2667 0.0000 N 0 0 3 0 0 0 0 0 0 4.4000 0.2333 0.0000 C 0 0 0 0 0 0 0 0 0 3.2542 -0.0292 0.0000 O 0 0 0 0 0 0 0 0 0 4.6542 -0.9042 0.0000 O 0 0 0 0 0 0 0 0 0 2.7375 0.2708 0.0000 O 0 0 0 0 0 0 0 0 0 1.4875 -0.4292 0.0000 N 0 0 0 0 0 0 0 0 0 4.0042 0.9625 0.0000 C 0 0 0 0 0 0 0 0 0 5.2250 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 3.0917 -4.9125 0.0000 O 0 0 0 0 0 0 0 0 0 5.2667 1.6458 0.0000 C 0 0 0 0 0 0 0 0 0 4.4417 1.6625 0.0000 C 0 0 0 0 0 0 0 0 0 5.6542 0.9083 0.0000 C 0 0 0 0 0 0 0 0 0 1.0875 0.2958 0.0000 O 0 0 0 0 0 0 0 0 0 2.3917 -3.6667 0.0000 C 0 0 0 0 0 0 0 0 0 3.8250 -3.6792 0.0000 C 0 0 0 0 0 0 0 0 0 5.7000 2.3458 0.0000 O 0 0 0 0 0 0 0 0 0 3.8167 -4.5042 0.0000 C 0 0 0 0 0 0 0 0 0 2.3792 -4.4917 0.0000 C 0 0 0 0 0 0 0 0 0 6.5250 2.3208 0.0000 C 0 0 0 0 0 0 0 0 0 6.9542 3.0208 0.0000 C 0 0 0 0 0 0 0 0 0 7.7792 2.9958 0.0000 C 0 0 0 0 0 0 0 0 0 8.2167 3.6958 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 1 1 0 0 0 5 3 1 0 0 0 6 3 1 0 0 0 7 4 1 0 0 0 8 7 1 0 0 0 9 2 1 0 0 0 10 2 2 0 0 0 11 2 2 0 0 0 12 6 2 0 0 0 13 6 1 0 0 0 14 9 2 0 0 0 15 9 1 0 0 0 16 24 1 0 0 0 17 19 1 0 0 0 18 14 1 0 0 0 19 15 2 0 0 0 20 13 1 0 0 0 21 8 1 0 0 0 22 8 1 0 0 0 23 17 1 0 0 0 24 22 1 0 0 0 25 21 1 0 0 0 26 23 1 0 0 0 27 26 1 0 0 0 28 27 1 0 0 0 29 28 1 0 0 0 5 7 1 0 0 0 18 17 2 0 0 0 25 16 1 0 0 0 M END > > 6.03621217265444 $$$$ 11290715552D 1 1.00000 0.00000 0 25 26 0 1 0 999 V2000 10.6971 -25.2857 0.0000 N 0 0 0 0 0 0 0 0 0 11.4081 -24.8672 0.0000 C 0 0 1 0 0 0 0 0 0 11.4011 -24.0422 0.0000 C 0 0 3 0 0 0 0 0 0 12.1121 -23.6238 0.0000 C 0 0 0 0 0 0 0 0 0 10.6832 -23.6357 0.0000 C 0 0 0 0 0 0 0 0 0 12.1260 -25.2737 0.0000 P 0 0 3 0 0 0 0 0 0 12.7083 -25.8542 0.0000 O 0 0 0 0 0 0 0 0 0 12.6249 -24.6167 0.0000 O 0 0 0 0 0 0 0 0 0 11.6300 -25.9330 0.0000 O 0 0 0 0 0 0 0 0 0 9.9792 -24.8792 0.0000 S 0 0 3 0 0 0 0 0 0 9.2625 -24.4667 0.0000 C 0 0 0 0 0 0 0 0 0 9.5701 -25.5956 0.0000 O 0 0 0 0 0 0 0 0 0 10.3899 -24.1637 0.0000 O 0 0 0 0 0 0 0 0 0 9.2642 -23.6345 0.0000 C 0 0 0 0 0 0 0 0 0 8.5484 -23.2221 0.0000 C 0 0 0 0 0 0 0 0 0 7.8318 -23.6365 0.0000 C 0 0 0 0 0 0 0 0 0 7.8356 -24.4677 0.0000 C 0 0 0 0 0 0 0 0 0 8.5520 -24.8764 0.0000 C 0 0 0 0 0 0 0 0 0 7.1162 -23.2259 0.0000 C 0 0 0 0 0 0 0 0 0 7.1164 -22.3967 0.0000 C 0 0 0 0 0 0 0 0 0 6.4017 -21.9861 0.0000 C 0 0 0 0 0 0 0 0 0 5.6873 -22.4006 0.0000 C 0 0 0 0 0 0 0 0 0 5.6922 -23.2298 0.0000 C 0 0 0 0 0 0 0 0 0 6.4075 -23.6366 0.0000 C 0 0 0 0 0 0 0 0 0 6.3999 -21.1611 0.0000 C 0 0 0 0 0 0 0 0 0 10 13 2 0 0 0 6 7 2 0 0 0 11 14 2 0 0 0 3 4 1 0 0 0 14 15 1 0 0 0 6 8 1 0 0 0 15 16 2 0 0 0 16 17 1 0 0 0 6 9 1 0 0 0 17 18 2 0 0 0 18 11 1 0 0 0 3 5 1 0 0 0 16 19 1 0 0 0 1 10 1 0 0 0 19 20 2 0 0 0 2 3 1 1 0 0 20 21 1 0 0 0 10 11 1 0 0 0 21 22 2 0 0 0 2 6 1 0 0 0 22 23 1 0 0 0 10 12 2 0 0 0 23 24 2 0 0 0 24 19 1 0 0 0 1 2 1 0 0 0 21 25 1 0 0 0 M END > 7.82390874094432 > 6.49485002168009 $$$$ 11280715092D 1 1.00000 0.00000 0 34 36 0 0 0 999 V2000 6.0625 -2.4542 0.0000 S 0 0 3 0 0 0 0 0 0 5.4792 -2.3042 0.0000 N 0 0 0 0 0 0 0 0 0 4.9625 -2.6042 0.0000 C 0 0 3 0 0 0 0 0 0 4.9417 -4.4042 0.0000 N 0 0 3 0 0 0 0 0 0 4.9375 -5.0042 0.0000 C 0 0 0 0 0 0 0 0 0 4.4375 -2.3042 0.0000 C 0 0 0 0 0 0 0 0 0 6.6375 -2.2917 0.0000 C 0 0 0 0 0 0 0 0 0 6.3125 -1.9375 0.0000 O 0 0 0 0 0 0 0 0 0 6.2125 -3.0292 0.0000 O 0 0 0 0 0 0 0 0 0 4.9542 -3.2042 0.0000 C 0 0 3 0 0 0 0 0 0 5.4625 -4.1042 0.0000 C 0 0 0 0 0 0 0 0 0 4.4250 -4.1000 0.0000 C 0 0 0 0 0 0 0 0 0 5.4542 -5.3042 0.0000 C 0 0 0 0 0 0 0 0 0 7.6750 -1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 8.1917 -1.3875 0.0000 C 0 0 0 0 0 0 0 0 0 4.4167 -5.3000 0.0000 O 0 0 0 0 0 0 0 0 0 4.4375 -1.7042 0.0000 O 0 0 0 0 0 0 0 0 0 7.1542 -2.5917 0.0000 C 0 0 0 0 0 0 0 0 0 6.6375 -1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 5.4750 -3.5042 0.0000 C 0 0 0 0 0 0 0 0 0 4.4292 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 7.1500 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 7.6750 -2.2917 0.0000 C 0 0 0 0 0 0 0 0 0 8.1792 -0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 8.7167 -1.6792 0.0000 C 0 0 0 0 0 0 0 0 0 3.9125 -2.6125 0.0000 O 0 0 0 0 0 0 0 0 0 9.2250 -0.7667 0.0000 C 0 0 0 0 0 0 0 0 0 9.2375 -1.3750 0.0000 C 0 0 0 0 0 0 0 0 0 8.7000 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 9.7500 -0.4667 0.0000 O 0 0 0 0 0 0 0 0 0 5.9750 -5.0000 0.0000 C 0 0 3 0 0 0 0 0 0 10.3250 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 5.8125 -4.4167 0.0000 C 0 0 0 0 0 0 0 0 0 6.5500 -4.8417 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 12 1 0 0 0 5 4 1 0 0 0 6 3 1 0 0 0 7 1 1 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 3 1 0 0 0 11 20 1 0 0 0 12 21 1 0 0 0 13 5 1 0 0 0 14 22 1 0 0 0 15 14 1 0 0 0 16 5 2 0 0 0 17 6 2 0 0 0 18 7 2 0 0 0 19 7 1 0 0 0 20 10 1 0 0 0 21 10 1 0 0 0 22 19 2 0 0 0 23 18 1 0 0 0 24 15 1 0 0 0 25 15 2 0 0 0 26 6 1 0 0 0 27 28 2 0 0 0 28 25 1 0 0 0 29 24 2 0 0 0 30 27 1 0 0 0 31 13 1 0 0 0 32 30 1 0 0 0 33 31 1 0 0 0 34 31 1 0 0 0 23 14 2 0 0 0 11 4 1 0 0 0 27 29 1 0 0 0 M END > 7.85698519974591 > 5.30980391997149 $$$$ 11280715152D 1 1.00000 0.00000 0 39 42 0 1 0 999 V2000 4.0792 -5.2625 0.0000 S 0 0 3 0 0 0 0 0 0 4.4542 -3.0542 0.0000 C 0 0 2 0 0 0 0 0 0 5.1667 -2.6417 0.0000 C 0 0 2 0 0 0 0 0 0 5.8792 -3.0542 0.0000 C 0 0 0 0 0 0 0 0 0 4.2917 -6.0542 0.0000 C 0 0 0 0 0 0 0 0 0 3.8667 -4.4667 0.0000 N 0 0 3 0 0 0 0 0 0 4.4542 -3.8792 0.0000 C 0 0 0 0 0 0 0 0 0 3.7125 -6.6417 0.0000 C 0 0 0 0 0 0 0 0 0 3.9292 -7.4292 0.0000 C 0 0 0 0 0 0 0 0 0 6.6000 -2.6417 0.0000 N 0 0 3 0 0 0 0 0 0 3.7417 -2.6417 0.0000 C 0 0 0 0 0 0 0 0 0 3.3542 -8.0167 0.0000 C 0 0 0 0 0 0 0 0 0 3.2792 -5.4750 0.0000 O 0 0 0 0 0 0 0 0 0 4.8750 -5.0417 0.0000 O 0 0 0 0 0 0 0 0 0 5.1667 -1.8167 0.0000 C 0 0 0 0 0 0 0 0 0 3.5750 -8.8125 0.0000 N 0 0 3 0 0 0 0 0 0 5.8792 -3.8792 0.0000 O 0 0 0 0 0 0 0 0 0 3.7417 -1.8167 0.0000 O 0 0 0 0 0 0 0 0 0 3.0292 -3.0542 0.0000 N 0 0 0 0 0 0 0 0 0 5.0917 -6.2625 0.0000 C 0 0 0 0 0 0 0 0 0 2.9167 -6.4292 0.0000 C 0 0 0 0 0 0 0 0 0 4.7292 -7.6417 0.0000 C 0 0 0 0 0 0 0 0 0 2.3125 -2.6417 0.0000 O 0 0 0 0 0 0 0 0 0 3.0417 -4.4625 0.0000 C 0 0 0 0 0 0 0 0 0 2.5625 -7.8125 0.0000 C 0 0 0 0 0 0 0 0 0 7.3042 -3.0542 0.0000 C 0 0 0 0 0 0 0 0 0 6.5917 -1.8167 0.0000 C 0 0 0 0 0 0 0 0 0 5.7542 -1.2292 0.0000 C 0 0 3 0 0 0 0 0 0 5.3042 -7.0542 0.0000 C 0 0 0 0 0 0 0 0 0 2.3417 -7.0167 0.0000 C 0 0 0 0 0 0 0 0 0 2.9917 -9.4000 0.0000 C 0 0 0 0 0 0 0 0 0 4.3667 -9.0167 0.0000 C 0 0 0 0 0 0 0 0 0 6.5667 -1.3542 0.0000 C 0 0 0 0 0 0 0 0 0 5.6167 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 7.3125 -1.4042 0.0000 C 0 0 0 0 0 0 0 0 0 8.0167 -2.6500 0.0000 C 0 0 0 0 0 0 0 0 0 6.3542 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 6.9417 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 8.0250 -1.8250 0.0000 C 0 0 0 0 0 0 0 0 0 2 7 1 6 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 1 1 0 0 0 6 1 1 0 0 0 7 6 1 0 0 0 8 5 2 0 0 0 9 8 1 0 0 0 10 4 1 0 0 0 11 2 1 0 0 0 12 9 1 0 0 0 13 1 2 0 0 0 14 1 2 0 0 0 3 15 1 1 0 0 16 12 1 0 0 0 17 4 2 0 0 0 18 11 2 0 0 0 19 11 1 0 0 0 20 5 1 0 0 0 21 8 1 0 0 0 22 29 1 0 0 0 23 19 1 0 0 0 24 6 1 0 0 0 25 30 1 0 0 0 26 10 1 0 0 0 27 10 1 0 0 0 28 15 1 0 0 0 29 20 2 0 0 0 30 21 2 0 0 0 31 16 1 0 0 0 32 16 1 0 0 0 33 28 1 0 0 0 34 28 1 0 0 0 35 27 1 0 0 0 36 26 1 0 0 0 37 34 1 0 0 0 38 33 1 0 0 0 39 35 1 0 0 0 9 22 2 0 0 0 25 12 2 0 0 0 38 37 1 0 0 0 36 39 1 0 0 0 M END > 8.09691001300806 > 8.69897000433602 $$$$ 11280715462D 1 1.00000 0.00000 0 32 34 0 1 0 999 V2000 3.4667 -1.5625 0.0000 S 0 0 3 0 0 0 0 0 0 3.4667 -2.3917 0.0000 N 0 0 3 0 0 0 0 0 0 2.7542 -2.8042 0.0000 C 0 0 2 0 0 0 0 0 0 2.7500 -3.6292 0.0000 C 0 0 3 0 0 0 0 0 0 2.0375 -2.3917 0.0000 C 0 0 0 0 0 0 0 0 0 4.1917 -2.8042 0.0000 C 0 0 0 0 0 0 0 0 0 3.4750 -0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 4.2917 -1.5542 0.0000 O 0 0 0 0 0 0 0 0 0 2.6417 -1.5542 0.0000 O 0 0 0 0 0 0 0 0 0 4.9250 1.7333 0.0000 C 0 0 0 0 0 0 0 0 0 3.4667 -4.0417 0.0000 C 0 0 0 0 0 0 0 0 0 2.0417 -1.5667 0.0000 O 0 0 0 0 0 0 0 0 0 4.1875 -3.6292 0.0000 C 0 0 1 0 0 0 0 0 0 5.6417 2.1458 0.0000 C 0 0 0 0 0 0 0 0 0 4.9167 0.9083 0.0000 C 0 0 0 0 0 0 0 0 0 1.3250 -2.8000 0.0000 N 0 0 0 0 0 0 0 0 0 4.2167 2.1458 0.0000 C 0 0 0 0 0 0 0 0 0 2.7667 -0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 4.1917 -0.3292 0.0000 C 0 0 0 0 0 0 0 0 0 6.3500 1.7208 0.0000 C 0 0 0 0 0 0 0 0 0 3.4917 1.7458 0.0000 O 0 0 0 0 0 0 0 0 0 5.6250 0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 3.4917 0.9208 0.0000 C 0 0 0 0 0 0 0 0 0 1.9250 -3.6250 0.0000 C 0 0 0 0 0 0 0 0 0 2.7417 -4.4542 0.0000 C 0 0 0 0 0 0 0 0 0 6.3417 0.8958 0.0000 C 0 0 0 0 0 0 0 0 0 4.2000 0.4958 0.0000 C 0 0 0 0 0 0 0 0 0 2.7667 0.5083 0.0000 C 0 0 0 0 0 0 0 0 0 5.6167 -0.3375 0.0000 F 0 0 0 0 0 0 0 0 0 0.6042 -2.3875 0.0000 O 0 0 0 0 0 0 0 0 0 4.9000 -4.0500 0.0000 O 0 0 0 0 0 0 0 0 0 5.6417 2.9625 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 3 5 1 6 0 0 6 2 1 0 0 0 7 1 1 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 17 1 0 0 0 11 13 1 0 0 0 12 5 2 0 0 0 13 6 1 0 0 0 14 10 1 0 0 0 15 10 2 0 0 0 16 5 1 0 0 0 17 21 1 0 0 0 18 7 2 0 0 0 19 7 1 0 0 0 20 14 2 0 0 0 21 23 1 0 0 0 22 15 1 0 0 0 23 27 1 0 0 0 24 4 1 0 0 0 25 4 1 0 0 0 26 22 2 0 0 0 27 19 2 0 0 0 28 18 1 0 0 0 29 22 1 0 0 0 30 16 1 0 0 0 13 31 1 6 0 0 32 14 1 0 0 0 28 23 2 0 0 0 11 4 1 0 0 0 26 20 1 0 0 0 M END > 8.18708664335714 > 6.10237290870956 $$$$ CDK 9/16/09,10:8 32 34 0 0 0 0 0 0 0 0999 V2000 9.7842 -2.3265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7927 -3.1509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5087 -3.5579 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2203 -3.1404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2118 -2.3159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4958 -1.9005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5131 -4.3824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8019 -4.8020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4914 -1.0760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7717 -0.6671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7673 0.1617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9191 -1.0643 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.3304 -0.3460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5078 -1.7827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6374 -1.4757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1502 -0.2549 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.3194 0.5554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6010 0.9668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9879 0.4106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0490 0.9360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7436 0.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8144 2.1371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0855 1.7563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5138 1.6923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4780 0.8684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2302 -4.7894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2363 -5.6138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9411 -4.3718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2449 2.0734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9405 1.6308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2019 -0.6567 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0563 -1.0825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12 15 2 0 0 0 0 13 16 1 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 13 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 20 21 2 0 0 0 0 21 25 1 0 0 0 0 5 6 1 0 0 0 0 24 22 1 0 0 0 0 3 7 1 0 0 0 0 22 23 2 0 0 0 0 23 20 1 0 0 0 0 17 20 1 0 0 0 0 24 25 2 0 0 0 0 7 8 2 0 0 0 0 9 6 1 6 0 0 0 7 26 1 0 0 0 0 9 10 1 0 0 0 0 26 27 1 0 0 0 0 10 11 2 0 0 0 0 26 28 1 0 0 0 0 24 29 1 0 0 0 0 29 30 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 9 31 1 0 0 0 0 31 12 1 0 0 0 0 10 32 1 0 0 0 0 M END > 7.79588001734407 > 5.37882371822497 $$$$ 11280715212D 1 1.00000 0.00000 0 27 29 0 0 0 999 V2000 -0.0333 1.7083 0.0000 S 0 0 3 0 0 0 0 0 0 -1.4625 1.7208 0.0000 C 0 0 3 0 0 0 0 0 0 -0.7500 2.1333 0.0000 N 0 0 0 0 0 0 0 0 0 -2.1833 2.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0.6917 1.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0.3917 2.4250 0.0000 O 0 0 0 0 0 0 0 0 0 -0.4583 0.9833 0.0000 O 0 0 0 0 0 0 0 0 0 -2.1833 2.9583 0.0000 O 0 0 0 0 0 0 0 0 0 -2.8958 1.7208 0.0000 N 0 0 0 0 0 0 0 0 0 2.8417 0.0333 0.0000 O 0 0 0 0 0 0 0 0 0 0.6917 0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 1.4042 1.6958 0.0000 C 0 0 0 0 0 0 0 0 0 2.1167 0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 2.8375 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 2.8292 -2.4542 0.0000 C 0 0 0 0 0 0 0 0 0 -2.1375 1.2333 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7958 1.2333 0.0000 C 0 0 0 0 0 0 0 0 0 2.1167 1.2833 0.0000 C 0 0 0 0 0 0 0 0 0 1.4042 0.0375 0.0000 C 0 0 0 0 0 0 0 0 0 2.8292 -3.2792 0.0000 F 0 0 0 0 0 0 0 0 0 -2.8958 0.8875 0.0000 O 0 0 0 0 0 0 0 0 0 3.5542 -1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 2.1167 -1.2042 0.0000 C 0 0 0 0 0 0 0 0 0 2.1167 -2.0375 0.0000 C 0 0 0 0 0 0 0 0 0 3.5542 -2.0375 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0500 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 -1.8833 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 3 1 1 0 0 0 4 2 1 0 0 0 5 1 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 4 2 0 0 0 9 4 1 0 0 0 10 13 1 0 0 0 11 5 2 0 0 0 12 5 1 0 0 0 13 18 1 0 0 0 14 10 1 0 0 0 15 24 2 0 0 0 16 2 1 0 0 0 17 2 1 0 0 0 18 12 2 0 0 0 19 11 1 0 0 0 20 15 1 0 0 0 21 9 1 0 0 0 22 14 1 0 0 0 23 14 2 0 0 0 24 23 1 0 0 0 25 22 2 0 0 0 26 17 1 0 0 0 27 16 1 0 0 0 13 19 2 0 0 0 26 27 1 0 0 0 15 25 1 0 0 0 M END > 9.04575749056067 > 7.18708664335714 $$$$ 11280715212D 1 1.00000 0.00000 0 28 30 0 0 0 999 V2000 -1.5333 1.6583 0.0000 S 0 0 3 0 0 0 0 0 0 -2.9625 1.6708 0.0000 C 0 0 3 0 0 0 0 0 0 -2.2500 2.0833 0.0000 N 0 0 0 0 0 0 0 0 0 -3.6833 2.0833 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8083 1.2250 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1083 2.3750 0.0000 O 0 0 0 0 0 0 0 0 0 -1.9583 0.9333 0.0000 O 0 0 0 0 0 0 0 0 0 1.3292 -0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 1.3375 -0.0125 0.0000 O 0 0 0 0 0 0 0 0 0 -3.6833 2.9083 0.0000 O 0 0 0 0 0 0 0 0 0 -4.3958 1.6708 0.0000 N 0 0 0 0 0 0 0 0 0 2.0500 -1.2542 0.0000 C 0 0 0 0 0 0 0 0 0 -2.2458 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 -3.6833 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 -2.9708 0.0083 0.0000 O 0 0 0 0 0 0 0 0 0 -0.0958 1.6458 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8083 0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0.6167 0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 2.7625 -0.8375 0.0000 Cl 0 0 0 0 0 0 0 0 0 0.6167 1.2333 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0958 -0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 -4.3958 0.8375 0.0000 O 0 0 0 0 0 0 0 0 0 -2.2500 0.4208 0.0000 C 0 0 0 0 0 0 0 0 0 -3.6833 0.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0.6125 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 2.0500 -2.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0.6125 -2.0792 0.0000 C 0 0 0 0 0 0 0 0 0 1.3292 -2.4917 0.0000 C 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 3 1 1 0 0 0 4 2 1 0 0 0 5 1 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 9 1 0 0 0 9 18 1 0 0 0 10 4 2 0 0 0 11 4 1 0 0 0 12 8 1 0 0 0 13 2 1 0 0 0 14 2 1 0 0 0 15 24 1 0 0 0 16 5 1 0 0 0 17 5 2 0 0 0 18 21 2 0 0 0 19 12 1 0 0 0 20 16 2 0 0 0 21 17 1 0 0 0 22 11 1 0 0 0 23 13 1 0 0 0 24 14 1 0 0 0 25 8 2 0 0 0 26 12 2 0 0 0 27 25 1 0 0 0 28 27 2 0 0 0 20 18 1 0 0 0 23 15 1 0 0 0 28 26 1 0 0 0 M END > 8.01322826573375 > 5.76955107862173 $$$$ 11280715312D 1 1.00000 0.00000 0 33 36 0 1 0 999 V2000 2.0417 -1.3250 0.0000 N 0 0 3 0 0 0 0 0 0 2.0417 -0.7250 0.0000 S 0 0 3 0 0 0 0 0 0 2.7000 -2.7292 0.0000 N 0 0 3 0 0 0 0 0 0 3.3042 -2.7292 0.0000 C 0 0 0 0 0 0 0 0 0 1.5625 -1.6750 0.0000 C 0 0 2 0 0 0 0 0 0 2.5167 -3.3042 0.0000 C 0 0 0 0 0 0 0 0 0 2.3417 -2.2500 0.0000 C 0 0 2 0 0 0 0 0 0 3.4875 -3.3042 0.0000 N 0 0 3 0 0 0 0 0 0 2.5292 -1.6750 0.0000 C 0 0 0 0 0 0 0 0 0 1.7417 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0.9917 -1.4917 0.0000 C 0 0 0 0 0 0 0 0 0 3.0042 -3.6542 0.0000 C 0 0 0 0 0 0 0 0 0 2.5667 -0.4250 0.0000 C 0 0 0 0 0 0 0 0 0 2.0375 -0.1250 0.0000 O 0 0 0 0 0 0 0 0 0 1.4625 -0.5667 0.0000 O 0 0 0 0 0 0 0 0 0 3.6542 -2.2417 0.0000 O 0 0 0 0 0 0 0 0 0 2.0542 -3.4917 0.0000 O 0 0 0 0 0 0 0 0 0 0.8667 -0.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0.5417 -1.8917 0.0000 N 0 0 0 0 0 0 0 0 0 2.5667 0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 3.0875 -0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 4.1250 0.4750 0.0000 O 0 0 0 0 0 0 0 0 0 3.6042 0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 4.0542 -3.4875 0.0000 C 0 0 0 0 0 0 0 0 0 3.6042 -0.4250 0.0000 C 0 0 0 0 0 0 0 0 0 3.0792 0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 4.6417 0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0250 -1.7042 0.0000 O 0 0 0 0 0 0 0 0 0 4.6417 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 5.1542 0.4833 0.0000 C 0 0 0 0 0 0 0 0 0 5.6792 0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 5.1625 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 5.6792 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 7 3 1 1 0 0 4 3 1 0 0 0 5 1 1 0 0 0 6 3 1 0 0 0 7 9 1 0 0 0 8 4 1 0 0 0 9 1 1 0 0 0 5 10 1 6 0 0 11 5 1 0 0 0 12 6 1 0 0 0 13 2 1 0 0 0 14 2 2 0 0 0 15 2 2 0 0 0 16 4 2 0 0 0 17 6 2 0 0 0 18 11 2 0 0 0 19 11 1 0 0 0 20 13 1 0 0 0 21 13 2 0 0 0 22 23 1 0 0 0 23 25 2 0 0 0 24 8 1 0 0 0 25 21 1 0 0 0 26 20 2 0 0 0 27 22 1 0 0 0 28 19 1 0 0 0 29 27 2 0 0 0 30 27 1 0 0 0 31 30 2 0 0 0 32 29 1 0 0 0 33 31 1 0 0 0 7 10 1 0 0 0 23 26 1 0 0 0 8 12 1 0 0 0 33 32 2 0 0 0 M END > 9.39794000867204 > 7.67778070526608 $$$$ 11280715082D 1 1.00000 0.00000 0 32 34 0 0 0 999 V2000 5.9292 -6.1792 0.0000 C 0 0 3 0 0 0 0 0 0 5.2167 -6.6000 0.0000 S 0 0 3 0 0 0 0 0 0 6.6500 -6.5792 0.0000 C 0 0 0 0 0 0 0 0 0 5.2167 -5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 6.6417 -5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 4.5000 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 5.9292 -4.5292 0.0000 N 0 0 3 0 0 0 0 0 0 5.8000 -7.1792 0.0000 O 0 0 0 0 0 0 0 0 0 4.6292 -7.1792 0.0000 O 0 0 0 0 0 0 0 0 0 6.6625 -7.4042 0.0000 O 0 0 0 0 0 0 0 0 0 7.3542 -6.1625 0.0000 N 0 0 0 0 0 0 0 0 0 5.2167 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 6.6417 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 3.7792 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 4.5000 -5.3542 0.0000 C 0 0 0 0 0 0 0 0 0 5.9292 -3.7042 0.0000 C 0 0 0 0 0 0 0 0 0 3.0667 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 3.7792 -4.9417 0.0000 C 0 0 0 0 0 0 0 0 0 3.0667 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 8.0792 -6.5625 0.0000 O 0 0 0 0 0 0 0 0 0 6.6417 -3.2917 0.0000 C 0 0 0 0 0 0 0 0 0 2.3542 -4.9417 0.0000 O 0 0 0 0 0 0 0 0 0 1.6417 -5.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0.9292 -4.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0.9292 -4.1167 0.0000 C 0 0 3 0 0 0 0 0 0 6.6417 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 7.3542 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0.2167 -3.7042 0.0000 C 0 0 0 0 0 0 0 0 0 1.6417 -3.7042 0.0000 C 0 0 0 0 0 0 0 0 0 8.0667 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 7.3542 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 8.0750 -2.4667 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 1 1 0 0 0 5 1 1 0 0 0 6 2 1 0 0 0 7 13 1 0 0 0 8 2 2 0 0 0 9 2 2 0 0 0 10 3 2 0 0 0 11 3 1 0 0 0 12 4 1 0 0 0 13 5 1 0 0 0 14 6 2 0 0 0 15 6 1 0 0 0 16 7 1 0 0 0 17 18 1 0 0 0 18 15 2 0 0 0 19 14 1 0 0 0 20 11 1 0 0 0 21 16 1 0 0 0 22 17 1 0 0 0 23 22 1 0 0 0 24 23 1 0 0 0 25 24 1 0 0 0 26 21 1 0 0 0 27 21 2 0 0 0 28 25 1 0 0 0 29 25 1 0 0 0 30 27 1 0 0 0 31 26 2 0 0 0 32 30 2 0 0 0 12 7 1 0 0 0 17 19 2 0 0 0 31 32 1 0 0 0 M END > 8.69897000433602 > 5.59176003468815 $$$$ 11280715072D 1 1.00000 0.00000 0 41 43 0 1 0 999 V2000 5.3792 -2.5917 0.0000 N 0 0 0 0 0 0 0 0 0 4.6667 -3.0125 0.0000 C 0 0 0 0 0 0 0 0 0 2.5250 -2.6125 0.0000 P 0 0 3 0 0 0 0 0 0 3.9500 -2.6042 0.0000 C 0 0 3 0 0 0 0 0 0 6.0917 -3.0042 0.0000 C 0 0 2 0 0 0 0 0 0 6.8042 -2.5875 0.0000 C 0 0 0 0 0 0 0 0 0 3.2375 -3.0167 0.0000 C 0 0 0 0 0 0 0 0 0 6.1000 -3.8292 0.0000 C 0 0 3 0 0 0 0 0 0 -1.7625 -1.8042 0.0000 C 0 0 0 0 0 0 0 0 0 2.5167 -1.7875 0.0000 O 0 0 0 0 0 0 0 0 0 4.6667 -3.8375 0.0000 O 0 0 0 0 0 0 0 0 0 -1.0500 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 3.9417 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 6.8042 -1.7625 0.0000 O 0 0 0 0 0 0 0 0 0 1.8125 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4833 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 7.5250 -3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 2.5167 -3.4375 0.0000 O 0 0 0 0 0 0 0 0 0 -0.3333 -1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 1.0917 -2.6167 0.0000 C 0 0 0 0 0 0 0 0 0 4.6542 -1.3625 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3333 -2.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0.3667 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 1.0875 -1.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0.3792 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 4.6542 -0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 5.2750 -3.8250 0.0000 C 0 0 0 0 0 0 0 0 0 6.9250 -3.8292 0.0000 C 0 0 0 0 0 0 0 0 0 6.1125 -4.6542 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7625 -2.6375 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4833 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 -3.1958 -1.8125 0.0000 C 0 0 0 0 0 0 0 0 0 8.2375 -2.5792 0.0000 C 0 0 0 0 0 0 0 0 0 3.9417 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 5.3667 -0.1250 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7708 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4833 -3.0500 0.0000 C 0 0 0 0 0 0 0 0 0 -3.1958 -2.6375 0.0000 C 0 0 0 0 0 0 0 0 0 3.9292 0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 5.3625 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 4.6417 1.1083 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 7 1 0 0 0 4 2 1 0 0 0 5 1 1 0 0 0 6 5 1 0 0 0 7 4 1 0 0 0 5 8 1 6 0 0 9 12 1 0 0 0 10 3 2 0 0 0 11 2 2 0 0 0 12 19 1 0 0 0 4 13 1 0 0 0 14 6 2 0 0 0 15 3 1 0 0 0 16 9 2 0 0 0 17 6 1 0 0 0 18 3 1 0 0 0 19 22 2 0 0 0 20 15 1 0 0 0 21 13 1 0 0 0 22 25 1 0 0 0 23 24 2 0 0 0 24 20 1 0 0 0 25 20 2 0 0 0 26 21 1 0 0 0 27 8 1 0 0 0 28 8 1 0 0 0 29 8 1 0 0 0 30 9 1 0 0 0 31 16 1 0 0 0 32 16 1 0 0 0 33 17 1 0 0 0 34 26 1 0 0 0 35 26 2 0 0 0 36 31 1 0 0 0 37 30 2 0 0 0 38 37 1 0 0 0 39 34 2 0 0 0 40 35 1 0 0 0 41 40 2 0 0 0 41 39 1 0 0 0 19 23 1 0 0 0 38 32 2 0 0 0 M END > 7.88605664769316 > 6.45593195564972 $$$$ 11280715442D 1 1.00000 0.00000 0 31 33 0 1 0 999 V2000 -2.0750 -0.0542 0.0000 S 0 0 3 0 0 0 0 0 0 -2.0750 0.7708 0.0000 N 0 0 3 0 0 0 0 0 0 -1.3625 1.1750 0.0000 C 0 0 1 0 0 0 0 0 0 -0.6500 0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 -2.0833 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3625 2.0000 0.0000 C 0 0 1 0 0 0 0 0 0 -1.2500 -0.0542 0.0000 O 0 0 0 0 0 0 0 0 0 -2.9000 -0.0542 0.0000 O 0 0 0 0 0 0 0 0 0 -0.2458 0.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0.0625 1.1833 0.0000 N 0 0 0 0 0 0 0 0 0 -2.7833 1.1750 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3750 -1.2917 0.0000 C 0 0 0 0 0 0 0 0 0 -2.8000 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 -2.1083 -3.3542 0.0000 O 0 0 0 0 0 0 0 0 0 -2.1000 -2.5292 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5708 2.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0.7417 -2.5292 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6833 -3.3500 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3958 -3.7667 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3833 -2.1167 0.0000 C 0 0 0 0 0 0 0 0 0 -2.8083 -2.1042 0.0000 C 0 0 0 0 0 0 0 0 0 1.4542 -2.1125 0.0000 F 0 0 0 0 0 0 0 0 0 0.7750 0.7708 0.0000 O 0 0 0 0 0 0 0 0 0 0.7417 -3.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0.0250 -2.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0.0292 -3.7667 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6875 -2.5292 0.0000 C 0 0 0 0 0 0 0 0 0 -2.0750 2.4208 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3708 2.8333 0.0000 C 0 0 0 0 0 0 0 0 0 -2.7833 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6583 3.2458 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 3 4 1 6 0 0 5 1 1 0 0 0 6 3 1 0 0 0 7 1 2 0 0 0 8 1 2 0 0 0 9 4 2 0 0 0 10 4 1 0 0 0 11 2 1 0 0 0 12 5 1 0 0 0 13 5 2 0 0 0 14 15 1 0 0 0 15 21 2 0 0 0 6 16 1 6 0 0 17 25 1 0 0 0 18 19 1 0 0 0 19 14 1 0 0 0 20 12 2 0 0 0 21 13 1 0 0 0 22 17 1 0 0 0 23 10 1 0 0 0 24 26 1 0 0 0 25 27 2 0 0 0 26 18 2 0 0 0 27 18 1 0 0 0 28 30 1 0 0 0 6 29 1 1 0 0 30 11 1 0 0 0 31 29 1 0 0 0 15 20 1 0 0 0 28 6 1 0 0 0 17 24 2 0 0 0 M END > 8.44369749923271 > 5.95860731484178 $$$$ 11280715142D 1 1.00000 0.00000 0 29 30 0 0 0 999 V2000 2.5167 1.5958 0.0000 S 0 0 3 0 0 0 0 0 0 1.7917 1.1708 0.0000 N 0 0 0 0 0 0 0 0 0 1.1000 -0.0750 0.0000 C 0 0 0 0 0 0 0 0 0 1.8042 0.3458 0.0000 C 0 0 3 0 0 0 0 0 0 3.2375 2.0208 0.0000 C 0 0 0 0 0 0 0 0 0 6.0917 4.5125 0.0000 C 0 0 0 0 0 0 0 0 0 6.8167 4.9292 0.0000 C 0 0 0 0 0 0 0 0 0 2.9417 0.8750 0.0000 O 0 0 0 0 0 0 0 0 0 2.0917 2.3208 0.0000 O 0 0 0 0 0 0 0 0 0 1.1042 -0.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0.3792 0.3333 0.0000 N 0 0 0 0 0 0 0 0 0 3.9667 -3.3542 0.0000 N 0 0 0 0 0 0 0 0 0 3.9500 1.6083 0.0000 C 0 0 0 0 0 0 0 0 0 3.2375 2.8500 0.0000 C 0 0 0 0 0 0 0 0 0 2.5292 -0.8917 0.0000 S 0 0 0 0 0 0 0 0 0 3.2500 -2.1292 0.0000 C 0 0 0 0 0 0 0 0 0 2.5292 -0.0667 0.0000 C 0 0 0 0 0 0 0 0 0 4.6667 2.8500 0.0000 C 0 0 0 0 0 0 0 0 0 4.6667 2.0208 0.0000 C 0 0 0 0 0 0 0 0 0 3.9500 3.2708 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3333 -0.0792 0.0000 O 0 0 0 0 0 0 0 0 0 5.3792 4.0917 0.0000 C 0 0 0 0 0 0 0 0 0 3.9625 -2.5292 0.0000 C 0 0 0 0 0 0 0 0 0 5.3875 3.2708 0.0000 O 0 0 0 0 0 0 0 0 0 3.2417 -1.3042 0.0000 C 0 0 0 0 0 0 0 0 0 7.5375 5.3417 0.0000 C 0 0 0 0 0 0 0 0 0 3.2542 -3.7750 0.0000 C 0 0 0 0 0 0 0 0 0 2.5292 -2.5417 0.0000 C 0 0 0 0 0 0 0 0 0 2.5375 -3.3625 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 4 1 0 0 0 4 2 1 0 0 0 5 1 1 0 0 0 6 22 1 0 0 0 7 6 3 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 3 2 0 0 0 11 3 1 0 0 0 12 23 2 0 0 0 13 5 1 0 0 0 14 5 2 0 0 0 15 17 1 0 0 0 16 25 1 0 0 0 17 4 1 0 0 0 18 20 2 0 0 0 19 13 2 0 0 0 20 14 1 0 0 0 21 11 1 0 0 0 22 24 1 0 0 0 23 16 1 0 0 0 24 18 1 0 0 0 25 15 1 0 0 0 26 7 1 0 0 0 27 29 2 0 0 0 28 16 2 0 0 0 29 28 1 0 0 0 18 19 1 0 0 0 27 12 1 0 0 0 M END > 7.55284196865778 > 5.71942162963192 $$$$ 11280715082D 1 1.00000 0.00000 0 29 31 0 0 0 999 V2000 -1.5625 -1.7875 0.0000 C 0 0 3 0 0 0 0 0 0 -2.2750 -2.2042 0.0000 S 0 0 3 0 0 0 0 0 0 -0.8458 -2.1875 0.0000 C 0 0 0 0 0 0 0 0 0 -2.2708 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8500 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 -2.9958 -1.7917 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5625 -0.1375 0.0000 N 0 0 3 0 0 0 0 0 0 -1.6958 -2.7875 0.0000 O 0 0 0 0 0 0 0 0 0 -2.8625 -2.7875 0.0000 O 0 0 0 0 0 0 0 0 0 -0.8333 -3.0125 0.0000 O 0 0 0 0 0 0 0 0 0 -0.1333 -1.7667 0.0000 N 0 0 0 0 0 0 0 0 0 -2.2708 -0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8500 -0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 -3.7083 -2.2042 0.0000 C 0 0 0 0 0 0 0 0 0 -2.9958 -0.9625 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5625 0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8458 1.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0.5792 1.9208 0.0000 C 0 0 0 0 0 0 0 0 0 -4.4208 -0.9625 0.0000 C 0 0 0 0 0 0 0 0 0 -3.7083 -0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 -4.4208 -1.7917 0.0000 C 0 0 0 0 0 0 0 0 0 1.3000 2.3333 0.0000 Br 0 0 0 0 0 0 0 0 0 0.5875 -2.1667 0.0000 O 0 0 0 0 0 0 0 0 0 -0.1333 2.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0.5792 1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8458 1.9208 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1333 0.6833 0.0000 C 0 0 0 0 0 0 0 0 0 -5.1458 -0.5500 0.0000 O 0 0 0 0 0 0 0 0 0 -5.8500 -0.9625 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 1 1 0 0 0 5 1 1 0 0 0 6 2 1 0 0 0 7 13 1 0 0 0 8 2 2 0 0 0 9 2 2 0 0 0 10 3 2 0 0 0 11 3 1 0 0 0 12 4 1 0 0 0 13 5 1 0 0 0 14 6 2 0 0 0 15 6 1 0 0 0 16 7 1 0 0 0 17 16 1 0 0 0 18 25 2 0 0 0 19 20 1 0 0 0 20 15 2 0 0 0 21 14 1 0 0 0 22 18 1 0 0 0 23 11 1 0 0 0 24 26 2 0 0 0 25 27 1 0 0 0 26 17 1 0 0 0 27 17 2 0 0 0 28 19 1 0 0 0 29 28 1 0 0 0 12 7 1 0 0 0 19 21 2 0 0 0 24 18 1 0 0 0 M END > 8.69897000433602 > 6.22329881601159 $$$$ 11280715512D 1 1.00000 0.00000 0 27 28 0 1 0 999 V2000 5.9612 -7.0453 0.0000 C 0 0 0 0 0 0 0 0 0 5.9601 -7.8720 0.0000 C 0 0 0 0 0 0 0 0 0 6.6744 -8.2847 0.0000 C 0 0 0 0 0 0 0 0 0 7.3904 -7.8716 0.0000 C 0 0 0 0 0 0 0 0 0 7.3876 -7.0416 0.0000 C 0 0 0 0 0 0 0 0 0 6.6726 -6.6328 0.0000 C 0 0 0 0 0 0 0 0 0 5.2416 -8.2963 0.0000 S 0 0 3 0 0 0 0 0 0 4.5178 -8.7192 0.0000 N 0 0 3 0 0 0 0 0 0 5.6668 -9.0165 0.0000 O 0 0 0 0 0 0 0 0 0 4.8140 -7.5749 0.0000 O 0 0 0 0 0 0 0 0 0 3.7939 -8.3136 0.0000 C 0 0 2 0 0 0 0 0 0 3.0846 -8.7331 0.0000 C 0 0 3 0 0 0 0 0 0 3.0932 -9.5638 0.0000 S 0 0 0 0 0 0 0 0 0 3.8256 -9.9654 0.0000 C 0 0 0 0 0 0 0 0 0 4.5327 -9.5484 0.0000 C 0 0 0 0 0 0 0 0 0 3.7788 -7.4892 0.0000 C 0 0 0 0 0 0 0 0 0 4.4810 -7.0648 0.0000 O 0 0 0 0 0 0 0 0 0 3.0531 -7.0851 0.0000 N 0 0 0 0 0 0 0 0 0 3.0422 -6.2606 0.0000 O 0 0 0 0 0 0 0 0 0 8.1048 -6.6206 0.0000 O 0 0 0 0 0 0 0 0 0 8.8187 -7.0383 0.0000 C 0 0 0 0 0 0 0 0 0 8.8087 -7.8637 0.0000 C 0 0 0 0 0 0 0 0 0 8.8044 -8.6942 0.0000 C 0 0 0 0 0 0 0 0 0 2.8689 -7.9364 0.0000 C 0 0 0 0 0 0 0 0 0 2.2610 -8.6859 0.0000 C 0 0 0 0 0 0 0 0 0 8.8001 -9.5186 0.0000 C 0 0 0 0 0 0 0 0 0 8.7941 -10.3431 0.0000 C 0 0 0 0 0 0 0 0 0 8 15 1 0 0 0 11 12 1 6 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 3 4 2 0 0 0 11 16 1 0 0 0 7 8 1 0 0 0 16 17 2 0 0 0 16 18 1 0 0 0 7 9 2 0 0 0 18 19 1 0 0 0 4 5 1 0 0 0 5 20 1 0 0 0 7 10 2 0 0 0 20 21 1 0 0 0 8 11 1 0 0 0 21 22 1 0 0 0 2 3 1 0 0 0 22 23 3 0 0 0 5 6 2 0 0 0 12 24 1 0 0 0 6 1 1 0 0 0 12 25 1 0 0 0 1 2 2 0 0 0 23 26 1 0 0 0 2 7 1 0 0 0 26 27 3 0 0 0 M END > 7.95860731484177 > 8.22184874961636 $$$$ 11280715322D 1 1.00000 0.00000 0 39 42 0 1 0 999 V2000 3.7292 -1.8417 0.0000 S 0 0 3 0 0 0 0 0 0 3.7292 -2.4417 0.0000 N 0 0 3 0 0 0 0 0 0 3.2500 -2.7917 0.0000 C 0 0 1 0 0 0 0 0 0 2.6792 -2.6125 0.0000 C 0 0 0 0 0 0 0 0 0 4.9792 -3.7917 0.0000 C 0 0 0 0 0 0 0 0 0 4.2167 -2.7917 0.0000 C 0 0 0 0 0 0 0 0 0 3.4292 -3.3667 0.0000 C 0 0 0 0 0 0 0 0 0 4.2542 -1.5417 0.0000 C 0 0 0 0 0 0 0 0 0 4.3875 -3.8542 0.0000 N 0 0 0 0 0 0 0 0 0 4.0292 -3.3667 0.0000 C 0 0 2 0 0 0 0 0 0 3.1500 -1.6875 0.0000 O 0 0 0 0 0 0 0 0 0 3.7250 -1.2417 0.0000 O 0 0 0 0 0 0 0 0 0 5.3375 -4.2792 0.0000 C 0 0 1 0 0 0 0 0 0 2.5542 -2.0250 0.0000 O 0 0 0 0 0 0 0 0 0 5.0917 -4.8250 0.0000 O 0 0 0 0 0 0 0 0 0 5.2417 -3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 2.2292 -3.0125 0.0000 N 0 0 0 0 0 0 0 0 0 5.9292 -4.2125 0.0000 C 0 0 0 0 0 0 0 0 0 4.7750 -1.8417 0.0000 C 0 0 0 0 0 0 0 0 0 4.2542 -0.9417 0.0000 C 0 0 0 0 0 0 0 0 0 5.4417 -5.3125 0.0000 C 0 0 0 0 0 0 0 0 0 5.2917 -0.9417 0.0000 C 0 0 0 0 0 0 0 0 0 6.2875 -4.7000 0.0000 C 0 0 0 0 0 0 0 0 0 4.7667 -0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 5.2917 -1.5417 0.0000 C 0 0 0 0 0 0 0 0 0 1.6625 -2.8292 0.0000 O 0 0 0 0 0 0 0 0 0 5.2000 -5.8542 0.0000 C 0 0 0 0 0 0 0 0 0 5.8125 -0.6417 0.0000 O 0 0 0 0 0 0 0 0 0 6.0417 -5.2417 0.0000 C 0 0 0 0 0 0 0 0 0 6.8792 -4.6292 0.0000 C 0 0 0 0 0 0 0 0 0 4.6042 -5.9250 0.0000 C 0 0 0 0 0 0 0 0 0 5.5542 -6.3417 0.0000 C 0 0 0 0 0 0 0 0 0 6.3292 -0.9417 0.0000 C 0 0 0 0 0 0 0 0 0 4.3625 -6.4667 0.0000 C 0 0 0 0 0 0 0 0 0 6.3917 -5.7292 0.0000 C 0 0 0 0 0 0 0 0 0 7.2292 -5.1167 0.0000 C 0 0 0 0 0 0 0 0 0 5.3125 -6.8917 0.0000 C 0 0 0 0 0 0 0 0 0 4.7125 -6.9542 0.0000 C 0 0 0 0 0 0 0 0 0 6.9875 -5.6667 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 9 1 0 0 0 6 2 1 0 0 0 3 7 1 6 0 0 8 1 1 0 0 0 10 9 1 1 0 0 10 6 1 0 0 0 11 1 2 0 0 0 12 1 2 0 0 0 13 5 1 0 0 0 14 4 2 0 0 0 13 15 1 6 0 0 16 5 2 0 0 0 17 4 1 0 0 0 18 13 1 0 0 0 19 8 2 0 0 0 20 8 1 0 0 0 21 15 1 0 0 0 22 24 1 0 0 0 23 18 1 0 0 0 24 20 2 0 0 0 25 19 1 0 0 0 26 17 1 0 0 0 27 21 1 0 0 0 28 22 1 0 0 0 29 23 2 0 0 0 30 23 1 0 0 0 31 27 1 0 0 0 32 27 2 0 0 0 33 28 1 0 0 0 34 31 2 0 0 0 35 29 1 0 0 0 36 30 2 0 0 0 37 32 1 0 0 0 38 37 2 0 0 0 39 36 1 0 0 0 22 25 2 0 0 0 10 7 1 0 0 0 39 35 2 0 0 0 38 34 1 0 0 0 M END > 8.69897000433602 > 6.61978875828839 $$$$ 11280715232D 1 1.00000 0.00000 0 24 24 0 0 0 999 V2000 5.1125 -2.8792 0.0000 S 0 0 3 0 0 0 0 0 0 5.8292 -3.2667 0.0000 C 0 0 0 0 0 0 0 0 0 5.8417 -4.0792 0.0000 C 0 0 0 0 0 0 0 0 0 6.5167 -2.8417 0.0000 C 0 0 0 0 0 0 0 0 0 7.2292 -3.2250 0.0000 C 0 0 0 0 0 0 0 0 0 6.5625 -4.4750 0.0000 C 0 0 0 0 0 0 0 0 0 7.2542 -4.0500 0.0000 C 0 0 0 0 0 0 0 0 0 4.4167 -2.4750 0.0000 N 0 0 0 0 0 0 0 0 0 3.7042 -2.8792 0.0000 C 0 0 3 0 0 0 0 0 0 2.9917 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 5.8167 -2.1500 0.0000 O 0 0 0 0 0 0 0 0 0 4.3750 -3.5917 0.0000 O 0 0 0 0 0 0 0 0 0 3.7042 -3.6792 0.0000 C 0 0 0 0 0 0 0 0 0 2.2917 -2.8792 0.0000 O 0 0 0 0 0 0 0 0 0 6.5000 -2.0292 0.0000 F 0 0 0 0 0 0 0 0 0 5.1417 -4.4917 0.0000 F 0 0 0 0 0 0 0 0 0 2.9917 -1.6625 0.0000 N 0 0 0 0 0 0 0 0 0 6.5792 -5.2875 0.0000 F 0 0 0 0 0 0 0 0 0 7.9250 -2.8000 0.0000 F 0 0 0 0 0 0 0 0 0 7.9667 -4.4417 0.0000 F 0 0 0 0 0 0 0 0 0 2.2917 -1.2542 0.0000 O 0 0 0 0 0 0 0 0 0 2.9917 -4.1000 0.0000 C 0 0 3 0 0 0 0 0 0 2.9917 -4.9167 0.0000 C 0 0 0 0 0 0 0 0 0 2.2917 -3.6792 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 2 0 0 0 4 2 1 0 0 0 5 4 2 0 0 0 6 3 1 0 0 0 7 5 1 0 0 0 8 1 1 0 0 0 9 8 1 0 0 0 10 9 1 0 0 0 11 1 2 0 0 0 12 1 2 0 0 0 13 9 1 0 0 0 14 10 2 0 0 0 15 4 1 0 0 0 16 3 1 0 0 0 17 10 1 0 0 0 18 6 1 0 0 0 19 5 1 0 0 0 20 7 1 0 0 0 21 17 1 0 0 0 22 13 1 0 0 0 23 22 1 0 0 0 24 22 1 0 0 0 6 7 2 0 0 0 M END > 7.42021640338319 > 7.42021640338319 $$$$ 11280715072D 1 1.00000 0.00000 0 21 22 0 0 0 999 V2000 4.4167 -2.8917 0.0000 S 0 0 3 0 0 0 0 0 0 5.2417 -2.8917 0.0000 C 0 0 3 0 0 0 0 0 0 3.5792 -2.8917 0.0000 C 0 0 0 0 0 0 0 0 0 5.2542 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0 3.0917 -3.5667 0.0000 S 0 0 0 0 0 0 0 0 0 4.4125 -3.7250 0.0000 O 0 0 0 0 0 0 0 0 0 4.4167 -2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 5.2417 -3.7250 0.0000 C 0 0 0 0 0 0 0 0 0 3.0917 -2.2167 0.0000 C 0 0 0 0 0 0 0 0 0 4.6667 -1.4792 0.0000 O 0 0 0 0 0 0 0 0 0 2.3042 -3.3042 0.0000 C 0 0 0 0 0 0 0 0 0 5.9750 -1.6542 0.0000 N 0 0 0 0 0 0 0 0 0 2.3042 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 6.0792 -2.9000 0.0000 C 0 0 0 0 0 0 0 0 0 5.9542 -4.1417 0.0000 C 0 0 0 0 0 0 0 0 0 5.9667 -0.8167 0.0000 O 0 0 0 0 0 0 0 0 0 6.6667 -3.7292 0.0000 C 0 0 0 0 0 0 0 0 0 5.9542 -4.9667 0.0000 C 0 0 0 0 0 0 0 0 0 6.6667 -5.3792 0.0000 C 0 0 0 0 0 0 0 0 0 7.3792 -4.1292 0.0000 C 0 0 0 0 0 0 0 0 0 7.3792 -4.9667 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 2 1 0 0 0 5 3 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 2 1 0 0 0 9 3 2 0 0 0 10 4 2 0 0 0 11 5 1 0 0 0 12 4 1 0 0 0 13 9 1 0 0 0 14 2 1 0 0 0 15 8 1 0 0 0 16 12 1 0 0 0 17 15 1 0 0 0 18 15 2 0 0 0 19 18 1 0 0 0 20 17 2 0 0 0 21 19 2 0 0 0 11 13 2 0 0 0 21 20 1 0 0 0 M END > 7.43179827593301 > 7.30980391997149 $$$$ 11280715502D 1 1.00000 0.00000 0 35 36 0 1 0 999 V2000 9.7254 -16.6139 0.0000 C 0 0 0 0 0 0 0 0 0 9.7242 -17.4407 0.0000 C 0 0 0 0 0 0 0 0 0 10.4386 -17.8533 0.0000 C 0 0 0 0 0 0 0 0 0 11.1546 -17.4403 0.0000 C 0 0 0 0 0 0 0 0 0 11.1517 -16.6102 0.0000 C 0 0 0 0 0 0 0 0 0 10.4368 -16.2014 0.0000 C 0 0 0 0 0 0 0 0 0 9.0058 -17.8649 0.0000 S 0 0 3 0 0 0 0 0 0 8.2820 -18.2878 0.0000 N 0 0 3 0 0 0 0 0 0 9.4309 -18.5851 0.0000 O 0 0 0 0 0 0 0 0 0 8.5782 -17.1436 0.0000 O 0 0 0 0 0 0 0 0 0 7.5580 -17.8822 0.0000 C 0 0 2 0 0 0 0 0 0 6.8488 -18.3017 0.0000 C 0 0 3 0 0 0 0 0 0 6.8574 -19.1324 0.0000 S 0 0 0 0 0 0 0 0 0 7.5897 -19.5340 0.0000 C 0 0 0 0 0 0 0 0 0 8.2969 -19.1170 0.0000 C 0 0 0 0 0 0 0 0 0 7.5429 -17.0578 0.0000 C 0 0 0 0 0 0 0 0 0 8.2452 -16.6334 0.0000 O 0 0 0 0 0 0 0 0 0 6.8173 -16.6537 0.0000 N 0 0 0 0 0 0 0 0 0 6.8064 -15.8292 0.0000 O 0 0 0 0 0 0 0 0 0 11.8689 -16.1892 0.0000 O 0 0 0 0 0 0 0 0 0 12.5829 -16.6069 0.0000 C 0 0 0 0 0 0 0 0 0 12.5728 -17.4323 0.0000 C 0 0 0 0 0 0 0 0 0 12.5685 -18.2628 0.0000 C 0 0 0 0 0 0 0 0 0 12.5594 -19.0949 0.0000 C 0 0 0 0 0 0 0 0 0 6.6331 -17.5050 0.0000 C 0 0 0 0 0 0 0 0 0 6.0252 -18.2545 0.0000 C 0 0 0 0 0 0 0 0 0 13.2688 -19.5149 0.0000 C 0 0 0 0 0 0 0 0 0 13.9874 -19.1106 0.0000 N 0 0 0 0 0 0 0 0 0 13.9964 -18.2861 0.0000 C 0 0 0 0 0 0 0 0 0 14.7149 -17.8818 0.0000 O 0 0 0 0 0 0 0 0 0 13.2869 -17.8661 0.0000 O 0 0 0 0 0 0 0 0 0 15.4243 -18.3018 0.0000 C 0 0 3 0 0 0 0 0 0 16.1350 -18.7125 0.0000 C 0 0 0 0 0 0 0 0 0 15.0080 -19.0134 0.0000 C 0 0 0 0 0 0 0 0 0 15.8436 -17.5920 0.0000 C 0 0 0 0 0 0 0 0 0 16 17 2 0 0 0 16 18 1 0 0 0 7 9 2 0 0 0 18 19 1 0 0 0 4 5 1 0 0 0 5 20 1 0 0 0 7 10 2 0 0 0 20 21 1 0 0 0 8 11 1 0 0 0 21 22 1 0 0 0 2 3 1 0 0 0 22 23 3 0 0 0 5 6 2 0 0 0 23 24 1 0 0 0 6 1 1 0 0 0 12 25 1 0 0 0 1 2 2 0 0 0 12 26 1 0 0 0 2 7 1 0 0 0 24 27 1 0 0 0 8 15 1 0 0 0 27 28 1 0 0 0 11 12 1 6 0 0 28 29 1 0 0 0 12 13 1 0 0 0 29 30 1 0 0 0 13 14 1 0 0 0 29 31 2 0 0 0 14 15 1 0 0 0 30 32 1 0 0 0 3 4 2 0 0 0 32 33 1 0 0 0 11 16 1 0 0 0 32 34 1 0 0 0 7 8 1 0 0 0 32 35 1 0 0 0 M END > 8.15490195998574 > 6.52287874528034 $$$$ 11280715292D 1 1.00000 0.00000 0 28 29 0 1 0 999 V2000 4.8625 -5.4292 0.0000 S 0 0 3 0 0 0 0 0 0 4.8542 -6.2542 0.0000 N 0 0 3 0 0 0 0 0 0 4.0917 -6.6042 0.0000 C 0 0 1 0 0 0 0 0 0 3.4542 -6.0792 0.0000 C 0 0 0 0 0 0 0 0 0 3.9042 -7.4167 0.0000 C 0 0 3 0 0 0 0 0 0 5.5917 -6.6292 0.0000 C 0 0 0 0 0 0 0 0 0 4.4667 -8.0917 0.0000 S 0 0 0 0 0 0 0 0 0 4.8542 -4.6042 0.0000 C 0 0 0 0 0 0 0 0 0 4.0375 -5.4167 0.0000 O 0 0 0 0 0 0 0 0 0 5.6875 -5.4292 0.0000 O 0 0 0 0 0 0 0 0 0 3.4542 -5.2542 0.0000 O 0 0 0 0 0 0 0 0 0 5.7750 -7.4375 0.0000 C 0 0 3 0 0 0 0 0 0 2.7167 -6.4417 0.0000 N 0 0 0 0 0 0 0 0 0 5.2417 -8.0750 0.0000 C 0 0 0 0 0 0 0 0 0 5.5750 -4.1917 0.0000 C 0 0 0 0 0 0 0 0 0 4.1292 -4.1917 0.0000 C 0 0 0 0 0 0 0 0 0 6.8125 -8.4167 0.0000 C 0 0 0 0 0 0 0 0 0 4.8417 -2.9542 0.0000 C 0 0 0 0 0 0 0 0 0 6.5667 -7.6292 0.0000 O 0 0 0 0 0 0 0 0 0 4.1292 -3.3750 0.0000 C 0 0 0 0 0 0 0 0 0 5.5542 -3.3542 0.0000 C 0 0 0 0 0 0 0 0 0 2.0292 -5.9792 0.0000 O 0 0 0 0 0 0 0 0 0 7.6125 -8.6042 0.0000 O 0 0 0 0 0 0 0 0 0 4.8292 -2.1292 0.0000 O 0 0 0 0 0 0 0 0 0 3.3167 -7.9875 0.0000 C 0 0 0 0 0 0 0 0 0 3.1000 -7.1917 0.0000 C 0 0 0 0 0 0 0 0 0 7.8417 -9.4000 0.0000 C 0 0 0 0 0 0 0 0 0 5.5417 -1.7042 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 3 4 1 6 0 0 5 3 1 0 0 0 6 2 1 0 0 0 7 5 1 0 0 0 8 1 1 0 0 0 9 1 2 0 0 0 10 1 2 0 0 0 11 4 2 0 0 0 12 6 1 0 0 0 13 4 1 0 0 0 14 12 1 0 0 0 15 8 2 0 0 0 16 8 1 0 0 0 17 19 1 0 0 0 18 20 1 0 0 0 19 12 1 0 0 0 20 16 2 0 0 0 21 15 1 0 0 0 22 13 1 0 0 0 23 17 1 0 0 0 24 18 1 0 0 0 25 5 1 0 0 0 26 5 1 0 0 0 27 23 1 0 0 0 28 24 1 0 0 0 18 21 2 0 0 0 14 7 1 0 0 0 M END > 8.85387196432176 > 9 $$$$ 11280715522D 1 1.00000 0.00000 0 37 38 0 1 0 999 V2000 -2.6181 -5.4250 0.0000 C 0 0 0 0 0 0 0 0 0 -2.6193 -6.2523 0.0000 C 0 0 0 0 0 0 0 0 0 -1.9044 -6.6652 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1880 -6.2519 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1909 -5.4213 0.0000 C 0 0 0 0 0 0 0 0 0 -1.9062 -5.0122 0.0000 C 0 0 0 0 0 0 0 0 0 -1.9049 -4.1890 0.0000 O 0 0 0 0 0 0 0 0 0 -2.6206 -3.7786 0.0000 C 0 0 0 0 0 0 0 0 0 -1.9046 -7.4902 0.0000 C 0 0 1 0 0 0 0 0 0 -1.1903 -7.9029 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1905 -8.7279 0.0000 O 0 0 0 0 0 0 0 0 0 -0.4757 -7.4906 0.0000 N 0 0 0 0 0 0 0 0 0 0.2387 -7.9032 0.0000 C 0 0 2 0 0 0 0 0 0 0.9532 -7.4909 0.0000 C 0 0 0 0 0 0 0 0 0 0.9534 -6.6659 0.0000 O 0 0 0 0 0 0 0 0 0 1.6676 -7.9036 0.0000 N 0 0 0 0 0 0 0 0 0 0.2385 -8.7282 0.0000 C 0 0 3 0 0 0 0 0 0 0.2333 -9.5500 0.0000 C 0 0 0 0 0 0 0 0 0 1.0635 -8.7309 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5865 -8.7288 0.0000 C 0 0 0 0 0 0 0 0 0 2.3822 -7.4912 0.0000 C 0 0 0 0 0 0 0 0 0 -2.6234 -7.9025 0.0000 C 0 0 1 0 0 0 0 0 0 -3.3378 -7.4899 0.0000 C 0 0 0 0 0 0 0 0 0 -2.6230 -8.7271 0.0000 C 0 0 0 0 0 0 0 0 0 -3.3376 -6.6649 0.0000 O 0 0 0 0 0 0 0 0 0 -4.0523 -7.9022 0.0000 N 0 0 0 0 0 0 0 0 0 -4.7667 -7.4895 0.0000 O 0 0 0 0 0 0 0 0 0 -3.2027 -9.3141 0.0000 N 0 0 3 0 0 0 0 0 0 -4.0148 -9.1932 0.0000 C 0 0 0 0 0 0 0 0 0 -4.3848 -9.9306 0.0000 N 0 0 3 0 0 0 0 0 0 -3.7978 -10.5104 0.0000 C 0 0 3 0 0 0 0 0 0 -3.0651 -10.1312 0.0000 C 0 0 0 0 0 0 0 0 0 -4.3951 -8.4611 0.0000 O 0 0 0 0 0 0 0 0 0 -2.3270 -10.4998 0.0000 O 0 0 0 0 0 0 0 0 0 -5.1988 -10.0648 0.0000 C 0 0 0 0 0 0 0 0 0 -4.6000 -10.7208 0.0000 C 0 0 0 0 0 0 0 0 0 -3.2537 -11.1306 0.0000 C 0 0 0 0 0 0 0 0 0 9 3 1 1 0 0 17 19 1 0 0 0 4 5 1 0 0 0 17 20 1 0 0 0 9 10 1 0 0 0 16 21 1 0 0 0 2 3 1 0 0 0 9 22 1 0 0 0 10 11 2 0 0 0 22 23 1 0 0 0 5 6 2 0 0 0 22 24 1 6 0 0 10 12 1 0 0 0 23 25 2 0 0 0 6 1 1 0 0 0 23 26 1 0 0 0 12 13 1 0 0 0 26 27 1 0 0 0 1 2 2 0 0 0 24 28 1 0 0 0 28 29 1 0 0 0 13 14 1 0 0 0 3 4 2 0 0 0 14 15 2 0 0 0 7 8 1 0 0 0 29 30 1 0 0 0 30 31 1 0 0 0 31 32 1 0 0 0 32 28 1 0 0 0 14 16 1 0 0 0 29 33 2 0 0 0 6 7 1 0 0 0 32 34 2 0 0 0 13 17 1 6 0 0 30 35 1 0 0 0 31 36 1 0 0 0 17 18 1 0 0 0 31 37 1 0 0 0 M END > 8.52287874528034 > 9.15490195998574 $$$$ 11280715432D 1 1.00000 0.00000 0 27 28 0 0 0 999 V2000 -0.7708 1.0000 0.0000 S 0 0 3 0 0 0 0 0 0 -0.7708 0.1708 0.0000 N 0 0 3 0 0 0 0 0 0 -0.3708 -1.6500 0.0000 S 0 0 3 0 0 0 0 0 0 -1.5208 -0.1792 0.0000 C 0 0 3 0 0 0 0 0 0 -2.1625 0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0333 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0.1542 -1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7208 -0.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0.0667 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7708 1.8375 0.0000 O 0 0 0 0 0 0 0 0 0 -1.5958 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 2.5417 -0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 2.9542 -1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7958 -2.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0.4542 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 -1.2083 -1.6375 0.0000 C 0 0 0 0 0 0 0 0 0 -2.1708 1.1708 0.0000 O 0 0 0 0 0 0 0 0 0 -2.9208 -0.0125 0.0000 N 0 0 0 0 0 0 0 0 0 0.4667 1.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0.4667 0.2833 0.0000 C 0 0 0 0 0 0 0 0 0 1.7167 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 1.3042 1.7208 0.0000 C 0 0 0 0 0 0 0 0 0 1.3042 0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 -3.5958 0.4625 0.0000 O 0 0 0 0 0 0 0 0 0 2.9667 0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 2.5417 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 3.3667 -1.8792 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 7 1 0 0 0 4 2 1 0 0 0 5 4 1 0 0 0 6 2 1 0 0 0 7 6 1 0 0 0 8 4 1 0 0 0 9 1 1 0 0 0 10 1 2 0 0 0 11 1 2 0 0 0 12 25 1 0 0 0 13 12 3 0 0 0 14 3 2 0 0 0 15 3 2 0 0 0 16 8 1 0 0 0 17 5 2 0 0 0 18 5 1 0 0 0 19 9 1 0 0 0 20 9 2 0 0 0 21 23 2 0 0 0 22 19 2 0 0 0 23 20 1 0 0 0 24 18 1 0 0 0 25 26 1 0 0 0 26 21 1 0 0 0 27 13 1 0 0 0 21 22 1 0 0 0 3 16 1 0 0 0 M END > 8.09691001300806 > 6.94309514866353 $$$$ 11280715302D 1 1.00000 0.00000 0 29 31 0 1 0 999 V2000 4.8500 -7.6042 0.0000 S 0 0 3 0 0 0 0 0 0 4.8417 -8.4292 0.0000 N 0 0 3 0 0 0 0 0 0 4.0917 -8.7792 0.0000 C 0 0 1 0 0 0 0 0 0 3.4542 -8.2542 0.0000 C 0 0 0 0 0 0 0 0 0 3.9000 -9.5875 0.0000 C 0 0 3 0 0 0 0 0 0 4.8500 -6.7792 0.0000 C 0 0 0 0 0 0 0 0 0 4.0250 -7.5917 0.0000 O 0 0 0 0 0 0 0 0 0 5.6750 -7.6042 0.0000 O 0 0 0 0 0 0 0 0 0 4.4542 -10.2542 0.0000 S 0 0 0 0 0 0 0 0 0 3.4500 -7.4292 0.0000 O 0 0 0 0 0 0 0 0 0 2.7125 -8.6042 0.0000 N 0 0 0 0 0 0 0 0 0 6.9542 -3.0375 0.0000 N 0 0 0 0 0 0 0 0 0 5.5875 -8.7917 0.0000 C 0 0 0 0 0 0 0 0 0 4.1292 -6.3750 0.0000 C 0 0 0 0 0 0 0 0 0 5.5667 -6.3542 0.0000 C 0 0 0 0 0 0 0 0 0 4.8292 -4.2917 0.0000 O 0 0 0 0 0 0 0 0 0 5.5375 -3.8792 0.0000 C 0 0 0 0 0 0 0 0 0 4.8292 -5.1167 0.0000 C 0 0 0 0 0 0 0 0 0 5.5542 -5.5292 0.0000 C 0 0 0 0 0 0 0 0 0 4.1167 -5.5500 0.0000 C 0 0 0 0 0 0 0 0 0 2.0292 -8.1417 0.0000 O 0 0 0 0 0 0 0 0 0 6.2542 -4.2875 0.0000 C 0 0 0 0 0 0 0 0 0 5.5292 -3.0542 0.0000 C 0 0 0 0 0 0 0 0 0 5.7625 -9.6042 0.0000 C 0 0 0 0 0 0 0 0 0 5.2417 -10.2542 0.0000 C 0 0 0 0 0 0 0 0 0 6.2375 -2.6375 0.0000 C 0 0 0 0 0 0 0 0 0 6.9625 -3.8625 0.0000 C 0 0 0 0 0 0 0 0 0 3.0917 -9.3667 0.0000 C 0 0 0 0 0 0 0 0 0 3.3125 -10.1667 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 3 4 1 6 0 0 5 3 1 0 0 0 6 1 1 0 0 0 7 1 2 0 0 0 8 1 2 0 0 0 9 5 1 0 0 0 10 4 2 0 0 0 11 4 1 0 0 0 12 26 1 0 0 0 13 2 1 0 0 0 14 6 1 0 0 0 15 6 2 0 0 0 16 18 1 0 0 0 17 16 1 0 0 0 18 19 2 0 0 0 19 15 1 0 0 0 20 14 2 0 0 0 21 11 1 0 0 0 22 17 2 0 0 0 23 17 1 0 0 0 24 13 1 0 0 0 25 24 1 0 0 0 26 23 2 0 0 0 27 22 1 0 0 0 28 5 1 0 0 0 29 5 1 0 0 0 18 20 1 0 0 0 25 9 1 0 0 0 12 27 2 0 0 0 M END > 9.39794000867204 > 8.24412514432751 $$$$ 11280715302D 1 1.00000 0.00000 0 21 22 0 0 0 999 V2000 5.7292 -6.1417 0.0000 S 0 0 3 0 0 0 0 0 0 5.7292 -6.9542 0.0000 N 0 0 3 0 0 0 0 0 0 5.0625 -7.4500 0.0000 C 0 0 3 0 0 0 0 0 0 4.2792 -7.2000 0.0000 C 0 0 0 0 0 0 0 0 0 5.7292 -5.3167 0.0000 C 0 0 0 0 0 0 0 0 0 6.5542 -6.1417 0.0000 O 0 0 0 0 0 0 0 0 0 4.9042 -6.1292 0.0000 O 0 0 0 0 0 0 0 0 0 4.1125 -6.3917 0.0000 O 0 0 0 0 0 0 0 0 0 6.4917 -7.2875 0.0000 C 0 0 0 0 0 0 0 0 0 3.6667 -7.7500 0.0000 N 0 0 0 0 0 0 0 0 0 5.9167 -8.6042 0.0000 O 0 0 0 0 0 0 0 0 0 4.9917 -4.9125 0.0000 C 0 0 0 0 0 0 0 0 0 6.4375 -4.8917 0.0000 C 0 0 0 0 0 0 0 0 0 5.1625 -8.2667 0.0000 C 0 0 0 0 0 0 0 0 0 5.7000 -3.6667 0.0000 C 0 0 0 0 0 0 0 0 0 4.9917 -4.0875 0.0000 C 0 0 0 0 0 0 0 0 0 6.4167 -4.0667 0.0000 C 0 0 0 0 0 0 0 0 0 2.8792 -7.4917 0.0000 O 0 0 0 0 0 0 0 0 0 5.6917 -2.8417 0.0000 O 0 0 0 0 0 0 0 0 0 6.5750 -8.1125 0.0000 C 0 0 0 0 0 0 0 0 0 6.4000 -2.4167 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 1 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 4 2 0 0 0 9 2 1 0 0 0 10 4 1 0 0 0 11 20 1 0 0 0 12 5 1 0 0 0 13 5 2 0 0 0 14 3 1 0 0 0 15 17 2 0 0 0 16 12 2 0 0 0 17 13 1 0 0 0 18 10 1 0 0 0 19 15 1 0 0 0 20 9 1 0 0 0 21 19 1 0 0 0 16 15 1 0 0 0 11 14 1 0 0 0 M END > 9 > 7.30539480106643 $$$$ 11280715192D 1 1.00000 0.00000 0 35 38 0 1 0 999 V2000 3.5250 0.1000 0.0000 S 0 0 3 0 0 0 0 0 0 3.5167 0.9250 0.0000 N 0 0 3 0 0 0 0 0 0 4.2292 1.3458 0.0000 C 0 0 2 0 0 0 0 0 0 3.5042 2.5833 0.0000 N 0 0 3 0 0 0 0 0 0 4.2250 2.1708 0.0000 C 0 0 1 0 0 0 0 0 0 4.9500 0.9375 0.0000 C 0 0 0 0 0 0 0 0 0 2.7917 1.3333 0.0000 C 0 0 0 0 0 0 0 0 0 3.5000 3.4208 0.0000 C 0 0 0 0 0 0 0 0 0 2.7875 2.1625 0.0000 C 0 0 0 0 0 0 0 0 0 3.5250 -0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 4.2375 0.5125 0.0000 O 0 0 0 0 0 0 0 0 0 2.8125 0.5083 0.0000 O 0 0 0 0 0 0 0 0 0 4.2375 -4.4375 0.0000 C 0 0 0 0 0 0 0 0 0 3.5250 -5.6750 0.0000 N 0 0 0 0 0 0 0 0 0 4.9542 -4.8500 0.0000 C 0 0 0 0 0 0 0 0 0 4.9625 0.1125 0.0000 O 0 0 0 0 0 0 0 0 0 4.2125 3.8333 0.0000 O 0 0 0 0 0 0 0 0 0 5.6625 1.3583 0.0000 N 0 0 0 0 0 0 0 0 0 4.2375 -3.6125 0.0000 C 0 0 0 0 0 0 0 0 0 4.2375 -1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 2.8125 -1.1417 0.0000 C 0 0 0 0 0 0 0 0 0 3.5250 -3.2000 0.0000 O 0 0 0 0 0 0 0 0 0 4.9542 -5.6667 0.0000 C 0 0 0 0 0 0 0 0 0 3.5250 -2.3792 0.0000 C 0 0 0 0 0 0 0 0 0 3.5250 -4.8500 0.0000 C 0 0 0 0 0 0 0 0 0 4.9375 2.5875 0.0000 C 0 0 0 0 0 0 0 0 0 2.8125 -1.9667 0.0000 C 0 0 0 0 0 0 0 0 0 4.2375 -1.9667 0.0000 C 0 0 0 0 0 0 0 0 0 6.3875 0.9500 0.0000 O 0 0 0 0 0 0 0 0 0 4.2375 -6.0875 0.0000 C 0 0 0 0 0 0 0 0 0 2.7875 3.8125 0.0000 C 0 0 0 0 0 0 0 0 0 5.6625 -4.4375 0.0000 C 0 0 0 0 0 0 0 0 0 5.6625 -6.0750 0.0000 C 0 0 0 0 0 0 0 0 0 6.3750 -4.8375 0.0000 C 0 0 0 0 0 0 0 0 0 6.3750 -5.6625 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 9 1 0 0 0 5 3 1 0 0 0 3 6 1 6 0 0 7 2 1 0 0 0 8 4 1 0 0 0 9 7 1 0 0 0 10 1 1 0 0 0 11 1 2 0 0 0 12 1 2 0 0 0 13 19 1 0 0 0 14 25 1 0 0 0 15 13 1 0 0 0 16 6 2 0 0 0 17 8 2 0 0 0 18 6 1 0 0 0 19 22 1 0 0 0 20 10 2 0 0 0 21 10 1 0 0 0 22 24 1 0 0 0 23 15 1 0 0 0 24 27 1 0 0 0 25 13 2 0 0 0 5 26 1 1 0 0 27 21 2 0 0 0 28 20 1 0 0 0 29 18 1 0 0 0 30 14 2 0 0 0 31 8 1 0 0 0 32 15 2 0 0 0 33 23 2 0 0 0 34 32 1 0 0 0 35 34 2 0 0 0 24 28 2 0 0 0 4 5 1 0 0 0 30 23 1 0 0 0 35 33 1 0 0 0 M END > 7.0087739243075 > 5.19382002601611 $$$$ 11280715122D 1 1.00000 0.00000 0 31 33 0 0 0 999 V2000 2.6375 0.3583 0.0000 S 0 0 3 0 0 0 0 0 0 1.2042 0.3458 0.0000 C 0 0 3 0 0 0 0 0 0 1.9125 0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0.4792 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 1.2125 -0.4750 0.0000 N 0 0 0 0 0 0 0 0 0 3.4292 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 2.8292 1.1583 0.0000 O 0 0 0 0 0 0 0 0 0 2.4292 -0.4417 0.0000 O 0 0 0 0 0 0 0 0 0 0.4750 1.5750 0.0000 O 0 0 0 0 0 0 0 0 0 -0.2250 0.3333 0.0000 N 0 0 0 0 0 0 0 0 0 4.0250 0.0083 0.0000 C 0 0 0 0 0 0 0 0 0 3.6375 1.3833 0.0000 C 0 0 0 0 0 0 0 0 0 5.8167 1.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0.4917 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 5.0167 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0.4875 -0.0750 0.0000 C 0 0 0 0 0 0 0 0 0 4.8167 0.2333 0.0000 C 0 0 0 0 0 0 0 0 0 4.4292 1.6083 0.0000 C 0 0 0 0 0 0 0 0 0 6.4042 0.6958 0.0000 C 0 0 0 0 0 0 0 0 0 -0.9458 0.7333 0.0000 O 0 0 0 0 0 0 0 0 0 0.4792 -1.7042 0.0000 C 0 0 0 0 0 0 0 0 0 7.1917 0.9208 0.0000 C 0 0 0 0 0 0 0 0 0 6.2042 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2333 -2.1042 0.0000 C 0 0 0 0 0 0 0 0 0 1.1917 -2.1167 0.0000 C 0 0 0 0 0 0 0 0 0 6.8000 -0.6792 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2458 -2.9292 0.0000 C 0 0 0 0 0 0 0 0 0 1.1917 -2.9417 0.0000 C 0 0 0 0 0 0 0 0 0 7.7917 0.3583 0.0000 C 0 0 0 0 0 0 0 0 0 7.5917 -0.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0.4667 -3.3542 0.0000 C 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 3 1 1 0 0 0 4 2 1 0 0 0 5 2 1 0 0 0 6 1 1 0 0 0 7 1 2 0 0 0 8 1 2 0 0 0 9 4 2 0 0 0 10 4 1 0 0 0 11 6 1 0 0 0 12 6 2 0 0 0 13 15 1 0 0 0 14 5 1 0 0 0 15 18 2 0 0 0 16 2 1 0 0 0 17 11 2 0 0 0 18 12 1 0 0 0 19 13 1 0 0 0 20 10 1 0 0 0 21 14 1 0 0 0 22 19 1 0 0 0 23 19 2 0 0 0 24 21 2 0 0 0 25 21 1 0 0 0 26 23 1 0 0 0 27 24 1 0 0 0 28 25 2 0 0 0 29 22 2 0 0 0 30 26 2 0 0 0 31 28 1 0 0 0 17 15 1 0 0 0 27 31 2 0 0 0 29 30 1 0 0 0 M END > 9.52287874528034 > 5.92081875395237 $$$$ 11280715292D 1 1.00000 0.00000 0 25 26 0 1 0 999 V2000 4.5667 -1.8292 0.0000 S 0 0 3 0 0 0 0 0 0 4.5625 -2.6417 0.0000 N 0 0 3 0 0 0 0 0 0 4.1792 -4.4417 0.0000 S 0 0 3 0 0 0 0 0 0 3.8250 -2.9875 0.0000 C 0 0 2 0 0 0 0 0 0 3.6292 -3.7875 0.0000 C 0 0 3 0 0 0 0 0 0 3.1917 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 4.5667 -1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 3.7542 -1.8167 0.0000 O 0 0 0 0 0 0 0 0 0 5.3792 -1.8292 0.0000 O 0 0 0 0 0 0 0 0 0 3.7000 -5.2792 0.0000 O 0 0 0 0 0 0 0 0 0 4.6667 -5.3625 0.0000 O 0 0 0 0 0 0 0 0 0 3.1917 -1.6625 0.0000 O 0 0 0 0 0 0 0 0 0 2.4625 -2.8167 0.0000 N 0 0 0 0 0 0 0 0 0 4.9542 -4.4417 0.0000 C 0 0 0 0 0 0 0 0 0 5.2917 -3.0042 0.0000 C 0 0 0 0 0 0 0 0 0 5.2750 -0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 3.8542 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 3.0542 -4.3542 0.0000 C 0 0 0 0 0 0 0 0 0 2.8417 -3.5667 0.0000 C 0 0 0 0 0 0 0 0 0 5.4667 -3.8042 0.0000 C 0 0 0 0 0 0 0 0 0 4.5500 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 3.8500 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 5.2625 0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 4.5417 1.4333 0.0000 Br 0 0 0 0 0 0 0 0 0 1.7875 -2.3625 0.0000 O 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 5 1 0 0 0 4 2 1 0 0 0 5 4 1 0 0 0 4 6 1 6 0 0 7 1 1 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 3 2 0 0 0 11 3 2 0 0 0 12 6 2 0 0 0 13 6 1 0 0 0 14 20 1 0 0 0 15 2 1 0 0 0 16 7 2 0 0 0 17 7 1 0 0 0 18 5 1 0 0 0 19 5 1 0 0 0 20 15 1 0 0 0 21 22 1 0 0 0 22 17 2 0 0 0 23 16 1 0 0 0 24 21 1 0 0 0 25 13 1 0 0 0 21 23 2 0 0 0 14 3 1 0 0 0 M END > 8.56863623584101 > 8.92081875395237 $$$$ SciTegic11161115462D 34 36 0 0 0 0 999 V2000 8.0238 -3.4086 0.0000 C 0 0 7.3076 -3.8201 0.0000 C 0 0 7.3058 -4.6415 0.0000 C 0 0 8.0186 -5.0577 0.0000 N 0 0 8.7348 -4.6462 0.0000 C 0 0 8.7382 -3.8186 0.0000 C 0 0 8.7382 -2.9960 0.0000 S 0 0 9.1505 -2.2814 0.0000 O 0 0 8.3255 -2.2816 0.0000 O 0 0 9.4527 -3.4083 0.0000 C 0 0 9.4516 -4.2357 0.0000 C 0 0 10.1664 -4.6485 0.0000 C 0 0 10.8828 -4.2352 0.0000 C 0 0 10.8800 -3.4047 0.0000 C 0 0 10.1646 -2.9955 0.0000 C 0 0 11.5980 -4.6466 0.0000 O 0 0 7.3092 -2.9963 0.0000 C 0 0 7.3090 -2.1713 0.0000 O 0 0 6.5949 -3.4090 0.0000 N 0 0 5.8803 -2.9966 0.0000 O 0 0 12.3118 -4.2329 0.0000 C 0 0 13.0235 -4.6448 0.0000 C 0 0 13.0159 -2.9947 0.0000 C 0 0 12.3055 -3.4100 0.0000 C 0 0 13.7331 -3.4040 0.0000 C 0 0 13.7397 -4.2279 0.0000 C 0 0 14.4448 -2.9869 0.0000 O 0 0 8.0156 -5.8827 0.0000 C 0 0 15.1620 -3.3947 0.0000 C 0 0 15.8737 -2.9775 0.0000 F 0 0 15.1674 -4.2196 0.0000 F 0 0 15.8708 -3.8042 0.0000 F 0 0 7.2986 -6.2888 0.0000 C 0 0 6.5799 -6.6939 0.0000 C 0 0 1 2 1 0 1 17 1 0 1 6 1 0 17 18 2 0 2 3 1 0 17 19 1 0 3 4 1 0 19 20 1 0 10 11 2 0 16 21 1 0 4 5 1 0 21 22 2 0 22 26 1 0 11 12 1 0 25 23 1 0 5 6 1 0 23 24 2 0 24 21 1 0 25 26 2 0 12 13 2 0 8 7 2 0 13 14 1 0 25 27 1 0 7 9 2 0 4 28 1 0 14 15 2 0 27 29 1 0 15 10 1 0 29 30 1 0 29 31 1 0 13 16 1 0 29 32 1 0 10 7 1 0 28 33 1 0 7 1 1 0 33 34 3 0 M END > 9.69897000433602 > 5.58502665202918 $$$$ 11280714532D 1 1.00000 0.00000 0 41 45 0 0 0 999 V2000 3.6042 1.0083 0.0000 S 0 0 3 0 0 0 0 0 0 2.8917 0.5875 0.0000 N 0 0 3 0 0 0 0 0 0 2.9000 -0.2375 0.0000 C 0 0 0 0 0 0 0 0 0 2.1875 -0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 3.6167 -0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 5.7667 -1.8792 0.0000 C 0 0 3 0 0 0 0 0 0 3.6167 -1.4750 0.0000 C 0 0 0 0 0 0 0 0 0 2.9000 -1.8917 0.0000 N 0 0 0 0 0 0 0 0 0 1.4750 -0.2417 0.0000 C 0 0 0 0 0 0 0 0 0 2.1875 -1.4792 0.0000 C 0 0 0 0 0 0 0 0 0 4.3167 1.4125 0.0000 C 0 0 0 0 0 0 0 0 0 5.0417 -1.4667 0.0000 C 0 0 0 0 0 0 0 0 0 3.1875 1.7250 0.0000 O 0 0 0 0 0 0 0 0 0 4.0125 0.2958 0.0000 O 0 0 0 0 0 0 0 0 0 4.3292 -1.8875 0.0000 C 0 0 0 0 0 0 0 0 0 4.3250 -0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 2.1750 0.9958 0.0000 C 0 0 0 0 0 0 0 0 0 5.7542 2.2208 0.0000 C 0 0 0 0 0 0 0 0 0 5.0417 -0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 1.4750 0.5833 0.0000 O 0 0 0 0 0 0 0 0 0 2.8792 3.0583 0.0000 N 0 0 0 0 0 0 0 0 0 5.0292 0.9875 0.0000 C 0 0 0 0 0 0 0 0 0 4.3292 2.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0.7542 -0.6542 0.0000 N 0 0 0 0 0 0 0 0 0 2.1667 1.8208 0.0000 C 0 0 0 0 0 0 0 0 0 6.4167 -2.2542 0.0000 F 0 0 0 0 0 0 0 0 0 6.1750 -1.1667 0.0000 F 0 0 0 0 0 0 0 0 0 5.3500 -2.5917 0.0000 F 0 0 0 0 0 0 0 0 0 5.7500 1.3958 0.0000 C 0 0 0 0 0 0 0 0 0 5.0417 2.6458 0.0000 C 0 0 0 0 0 0 0 0 0 6.4792 2.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0.0417 -0.2417 0.0000 O 0 0 0 0 0 0 0 0 0 2.8792 2.2375 0.0000 C 0 0 0 0 0 0 0 0 0 2.1542 3.4708 0.0000 C 0 0 0 0 0 0 0 0 0 1.4542 2.2250 0.0000 C 0 0 0 0 0 0 0 0 0 7.1917 2.1958 0.0000 C 0 0 0 0 0 0 0 0 0 6.4875 3.4458 0.0000 C 0 0 0 0 0 0 0 0 0 1.4417 3.0458 0.0000 C 0 0 0 0 0 0 0 0 0 7.2042 3.8458 0.0000 C 0 0 0 0 0 0 0 0 0 7.9042 2.6000 0.0000 C 0 0 0 0 0 0 0 0 0 7.9167 3.4333 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 3 2 0 0 0 6 12 1 0 0 0 7 5 1 0 0 0 8 7 2 0 0 0 9 4 1 0 0 0 10 4 2 0 0 0 11 1 1 0 0 0 12 19 1 0 0 0 13 1 2 0 0 0 14 1 2 0 0 0 15 7 1 0 0 0 16 5 1 0 0 0 17 2 1 0 0 0 18 30 1 0 0 0 19 16 2 0 0 0 20 9 2 0 0 0 21 33 1 0 0 0 22 11 2 0 0 0 23 11 1 0 0 0 24 9 1 0 0 0 25 17 1 0 0 0 26 6 1 0 0 0 27 6 1 0 0 0 28 6 1 0 0 0 29 22 1 0 0 0 30 23 2 0 0 0 31 18 1 0 0 0 32 24 1 0 0 0 33 25 2 0 0 0 34 38 1 0 0 0 35 25 1 0 0 0 36 31 2 0 0 0 37 31 1 0 0 0 38 35 2 0 0 0 39 37 2 0 0 0 40 36 1 0 0 0 41 39 1 0 0 0 18 29 2 0 0 0 8 10 1 0 0 0 12 15 2 0 0 0 34 21 2 0 0 0 41 40 2 0 0 0 M END > 7.30102999566398 > 5.3767507096021 $$$$ 11280715142D 1 1.00000 0.00000 0 21 21 0 1 0 999 V2000 4.8292 0.1833 0.0000 S 0 0 3 0 0 0 0 0 0 4.1042 -0.2417 0.0000 N 0 0 0 0 0 0 0 0 0 3.4125 -1.4875 0.0000 C 0 0 0 0 0 0 0 0 0 4.1167 -1.0667 0.0000 C 0 0 1 0 0 0 0 0 0 5.5500 0.6083 0.0000 C 0 0 0 0 0 0 0 0 0 8.4042 3.1083 0.0000 C 0 0 0 0 0 0 0 0 0 9.1292 3.5208 0.0000 C 0 0 0 0 0 0 0 0 0 5.2542 -0.5375 0.0000 O 0 0 0 0 0 0 0 0 0 4.4042 0.9083 0.0000 O 0 0 0 0 0 0 0 0 0 3.4167 -2.3167 0.0000 O 0 0 0 0 0 0 0 0 0 2.6917 -1.0792 0.0000 N 0 0 0 0 0 0 0 0 0 5.5500 1.4375 0.0000 C 0 0 0 0 0 0 0 0 0 6.2625 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 6.9792 1.4375 0.0000 C 0 0 0 0 0 0 0 0 0 6.9792 0.6083 0.0000 C 0 0 0 0 0 0 0 0 0 6.2625 1.8500 0.0000 C 0 0 0 0 0 0 0 0 0 1.9792 -1.4917 0.0000 O 0 0 0 0 0 0 0 0 0 7.6917 2.6875 0.0000 C 0 0 0 0 0 0 0 0 0 4.8417 -1.4792 0.0000 C 0 0 0 0 0 0 0 0 0 7.7000 1.8583 0.0000 O 0 0 0 0 0 0 0 0 0 9.8500 3.9333 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 4 1 0 0 0 4 2 1 0 0 0 5 1 1 0 0 0 6 18 1 0 0 0 7 6 3 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 3 2 0 0 0 11 3 1 0 0 0 12 5 2 0 0 0 13 5 1 0 0 0 14 15 1 0 0 0 15 13 2 0 0 0 16 12 1 0 0 0 17 11 1 0 0 0 18 20 1 0 0 0 4 19 1 6 0 0 20 14 1 0 0 0 21 7 1 0 0 0 16 14 2 0 0 0 M END > 6.70996538863748 > 5.39458720184695 $$$$ 11280715012D 1 1.00000 0.00000 0 35 38 0 0 0 999 V2000 2.7125 -4.2292 0.0000 S 0 0 3 0 0 0 0 0 0 1.9917 -3.8167 0.0000 N 0 0 0 0 0 0 0 0 0 1.2792 -4.2292 0.0000 C 0 0 3 0 0 0 0 0 0 0.5667 -3.8167 0.0000 C 0 0 0 0 0 0 0 0 0 1.2792 -5.0542 0.0000 C 0 0 3 0 0 0 0 0 0 3.4292 -3.8167 0.0000 C 0 0 0 0 0 0 0 0 0 2.1250 -4.8125 0.0000 O 0 0 0 0 0 0 0 0 0 3.2917 -4.8125 0.0000 O 0 0 0 0 0 0 0 0 0 0.5625 -5.4625 0.0000 C 0 0 0 0 0 0 0 0 0 4.8542 -2.9875 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1500 -6.6917 0.0000 N 0 0 0 0 0 0 0 0 0 5.5667 -2.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0.5625 -2.9917 0.0000 O 0 0 0 0 0 0 0 0 0 3.4292 -2.9875 0.0000 C 0 0 0 0 0 0 0 0 0 4.1417 -4.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0.5625 -6.2792 0.0000 C 0 0 3 0 0 0 0 0 0 4.8542 -3.8167 0.0000 C 0 0 0 0 0 0 0 0 0 4.1417 -2.5750 0.0000 C 0 0 0 0 0 0 0 0 0 5.5625 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 6.2792 -2.9792 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1500 -4.2292 0.0000 O 0 0 0 0 0 0 0 0 0 -0.1583 -7.5167 0.0000 C 0 0 0 0 0 0 0 0 0 6.9917 -1.7417 0.0000 C 0 0 0 0 0 0 0 0 0 6.9917 -2.5667 0.0000 C 0 0 0 0 0 0 0 0 0 6.2667 -1.3292 0.0000 C 0 0 0 0 0 0 0 0 0 1.9917 -5.4542 0.0000 C 0 0 0 0 0 0 0 0 0 7.7042 -1.3250 0.0000 O 0 0 0 0 0 0 0 0 0 1.9917 -6.2792 0.0000 C 0 0 0 0 0 0 0 0 0 1.2750 -6.6917 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8708 -7.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0.5542 -7.9250 0.0000 C 0 0 0 0 0 0 0 0 0 8.4167 -1.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0.5542 -8.7417 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8708 -8.7417 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1583 -9.1625 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 3 1 0 0 0 6 1 1 0 0 0 7 1 2 0 0 0 8 1 2 0 0 0 9 5 1 0 0 0 10 17 1 0 0 0 11 16 1 0 0 0 12 10 1 0 0 0 13 4 2 0 0 0 14 6 2 0 0 0 15 6 1 0 0 0 16 9 1 0 0 0 17 15 2 0 0 0 18 14 1 0 0 0 19 12 1 0 0 0 20 12 2 0 0 0 21 4 1 0 0 0 22 11 1 0 0 0 23 24 2 0 0 0 24 20 1 0 0 0 25 19 2 0 0 0 26 5 1 0 0 0 27 23 1 0 0 0 28 26 1 0 0 0 29 28 1 0 0 0 30 22 2 0 0 0 31 22 1 0 0 0 32 27 1 0 0 0 33 31 2 0 0 0 34 30 1 0 0 0 35 33 1 0 0 0 18 10 2 0 0 0 16 29 1 0 0 0 23 25 1 0 0 0 34 35 2 0 0 0 M END > 8.09691001300806 > 5.65955588515988 $$$$ 11280714482D 1 1.00000 0.00000 0 29 30 0 0 0 999 V2000 4.0875 -2.0750 0.0000 S 0 0 3 0 0 0 0 0 0 2.6625 -3.7292 0.0000 C 0 0 0 0 0 0 0 0 0 3.3667 -2.4875 0.0000 N 0 0 3 0 0 0 0 0 0 3.3750 -3.3125 0.0000 C 0 0 0 0 0 0 0 0 0 4.0917 -3.7250 0.0000 C 0 0 0 0 0 0 0 0 0 1.9500 -3.3167 0.0000 C 0 0 0 0 0 0 0 0 0 4.7417 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 3.7250 -1.2292 0.0000 O 0 0 0 0 0 0 0 0 0 4.4375 -2.7917 0.0000 O 0 0 0 0 0 0 0 0 0 2.6625 -4.5542 0.0000 C 0 0 0 0 0 0 0 0 0 8.2792 0.1333 0.0000 C 0 0 0 0 0 0 0 0 0 8.9042 0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 4.0917 -4.5542 0.0000 C 0 0 0 0 0 0 0 0 0 3.3750 -4.9667 0.0000 C 0 0 0 0 0 0 0 0 0 1.9500 -2.4917 0.0000 O 0 0 0 0 0 0 0 0 0 1.2292 -3.7292 0.0000 N 0 0 0 0 0 0 0 0 0 5.5042 -1.9000 0.0000 C 0 0 0 0 0 0 0 0 0 4.6417 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 2.6542 -2.0792 0.0000 C 0 0 0 0 0 0 0 0 0 3.3750 -5.7917 0.0000 Br 0 0 0 0 0 0 0 0 0 6.0542 -0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 6.1625 -1.4042 0.0000 C 0 0 0 0 0 0 0 0 0 5.2917 -0.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0.5167 -3.3167 0.0000 O 0 0 0 0 0 0 0 0 0 4.8042 -3.3042 0.0000 C 0 0 0 0 0 0 0 0 0 7.4792 -0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 6.7167 -0.0875 0.0000 O 0 0 0 0 0 0 0 0 0 9.5292 0.9708 0.0000 C 0 0 0 0 0 0 0 0 0 10.2417 0.9375 0.0000 C 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 3 1 1 0 0 0 4 3 1 0 0 0 5 4 2 0 0 0 6 2 1 0 0 0 7 1 1 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 2 2 0 0 0 11 26 1 0 0 0 12 11 3 0 0 0 13 5 1 0 0 0 14 13 2 0 0 0 15 6 2 0 0 0 16 6 1 0 0 0 17 7 2 0 0 0 18 7 1 0 0 0 19 3 1 0 0 0 20 14 1 0 0 0 21 23 1 0 0 0 22 17 1 0 0 0 23 18 2 0 0 0 24 16 1 0 0 0 25 5 1 0 0 0 26 27 1 0 0 0 27 21 1 0 0 0 28 12 1 0 0 0 29 28 1 0 0 0 22 21 2 0 0 0 10 14 1 0 0 0 M END > 6.53910215724345 > 5.91080163319485 $$$$ 11280715442D 1 1.00000 0.00000 0 31 33 0 1 0 999 V2000 -0.1250 -0.0625 0.0000 S 0 0 3 0 0 0 0 0 0 -0.1250 0.7625 0.0000 N 0 0 3 0 0 0 0 0 0 0.5875 1.1708 0.0000 C 0 0 1 0 0 0 0 0 0 1.3000 0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1333 -0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0.5875 1.9958 0.0000 C 0 0 2 0 0 0 0 0 0 0.7000 -0.0625 0.0000 O 0 0 0 0 0 0 0 0 0 -0.9500 -0.0542 0.0000 O 0 0 0 0 0 0 0 0 0 1.2667 -3.3542 0.0000 C 0 0 0 0 0 0 0 0 0 1.7042 0.0458 0.0000 O 0 0 0 0 0 0 0 0 0 2.0042 1.1750 0.0000 N 0 0 0 0 0 0 0 0 0 0.5542 -3.7667 0.0000 C 0 0 0 0 0 0 0 0 0 1.9792 -3.7667 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8333 1.1708 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8500 -1.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0.5750 -1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1583 -3.3542 0.0000 O 0 0 0 0 0 0 0 0 0 -0.1500 -2.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0.5792 2.8208 0.0000 O 0 0 0 0 0 0 0 0 0 0.5667 -2.1250 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8583 -2.1125 0.0000 C 0 0 0 0 0 0 0 0 0 2.7250 0.7625 0.0000 O 0 0 0 0 0 0 0 0 0 1.9792 -4.5917 0.0000 O 0 0 0 0 0 0 0 0 0 -0.1250 2.4125 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8333 1.9958 0.0000 C 0 0 0 0 0 0 0 0 0 1.3792 2.2125 0.0000 C 0 0 0 0 0 0 0 0 0 1.2625 -2.5292 0.0000 C 0 0 0 0 0 0 0 0 0 2.6917 -3.3542 0.0000 C 0 0 0 0 0 0 0 0 0 1.2625 -5.0042 0.0000 C 0 0 0 0 0 0 0 0 0 1.9750 -2.1167 0.0000 C 0 0 0 0 0 0 0 0 0 2.6917 -2.5292 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 3 4 1 6 0 0 5 1 1 0 0 0 6 3 1 0 0 0 7 1 2 0 0 0 8 1 2 0 0 0 9 12 1 0 0 0 10 4 2 0 0 0 11 4 1 0 0 0 12 17 1 0 0 0 13 9 2 0 0 0 14 2 1 0 0 0 15 5 2 0 0 0 16 5 1 0 0 0 17 18 1 0 0 0 18 20 1 0 0 0 6 19 1 1 0 0 20 16 2 0 0 0 21 15 1 0 0 0 22 11 1 0 0 0 23 13 1 0 0 0 24 25 1 0 0 0 25 14 1 0 0 0 6 26 1 6 0 0 27 9 1 0 0 0 28 13 1 0 0 0 29 23 1 0 0 0 30 27 2 0 0 0 31 30 1 0 0 0 18 21 2 0 0 0 24 6 1 0 0 0 31 28 2 0 0 0 M END > 7.74472749489669 > 5.58502665202918 $$$$ 11280715172D 1 1.00000 0.00000 0 30 31 0 0 0 999 V2000 0.7167 -1.3042 0.0000 S 0 0 3 0 0 0 0 0 0 0.1167 -1.3042 0.0000 N 0 0 3 0 0 0 0 0 0 -0.1833 -1.8167 0.0000 C 0 0 3 0 0 0 0 0 0 0.1167 -2.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0.7167 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0.7167 -1.9042 0.0000 O 0 0 0 0 0 0 0 0 0 1.3167 -1.3167 0.0000 O 0 0 0 0 0 0 0 0 0 -2.5583 -3.1542 0.0000 C 0 0 0 0 0 0 0 0 0 -3.3833 -3.6917 0.0000 S 0 0 0 0 0 0 0 0 0 -0.3083 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 -2.7833 -3.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0.6917 -2.4917 0.0000 O 0 0 0 0 0 0 0 0 0 -3.0333 -2.7792 0.0000 C 0 0 0 0 0 0 0 0 0 -3.5458 -3.1042 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0458 -2.9167 0.0000 N 0 0 0 0 0 0 0 0 0 -0.7708 -1.9792 0.0000 C 0 0 0 0 0 0 0 0 0 1.2417 -0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0.2042 -0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0.7167 0.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0.2042 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 1.2417 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 -1.6708 -2.4917 0.0000 S 0 0 0 0 0 0 0 0 0 -0.0458 -3.5167 0.0000 O 0 0 0 0 0 0 0 0 0 -1.9708 -3.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0.7167 1.0958 0.0000 O 0 0 0 0 0 0 0 0 0 -0.9083 -0.8792 0.0000 C 0 0 3 0 0 0 0 0 0 -1.0708 -2.4917 0.0000 C 0 0 0 0 0 0 0 0 0 1.2292 1.3958 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3333 -1.2917 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3333 -0.4542 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 1 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 24 1 0 0 0 9 11 1 0 0 0 10 2 1 0 0 0 11 8 2 0 0 0 12 4 2 0 0 0 13 8 1 0 0 0 14 13 2 0 0 0 15 4 1 0 0 0 16 3 1 0 0 0 17 5 2 0 0 0 18 5 1 0 0 0 19 20 1 0 0 0 20 18 2 0 0 0 21 17 1 0 0 0 22 27 1 0 0 0 23 15 1 0 0 0 24 22 1 0 0 0 25 19 1 0 0 0 26 10 1 0 0 0 27 16 1 0 0 0 28 25 1 0 0 0 29 26 1 0 0 0 30 26 1 0 0 0 19 21 2 0 0 0 9 14 1 0 0 0 M END > 8.29242982390206 > 6.72584215073632 $$$$ 11280715022D 1 1.00000 0.00000 0 37 39 0 1 0 999 V2000 3.5542 -1.4292 0.0000 S 0 0 3 0 0 0 0 0 0 2.8375 -1.0167 0.0000 N 0 0 0 0 0 0 0 0 0 2.1167 -1.4292 0.0000 C 0 0 1 0 0 0 0 0 0 2.8292 -5.1417 0.0000 C 0 0 0 0 0 0 0 0 0 1.4042 -1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 2.1167 -4.7292 0.0000 N 0 0 3 0 0 0 0 0 0 4.2667 -1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 4.1375 -2.0167 0.0000 O 0 0 0 0 0 0 0 0 0 2.9667 -2.0167 0.0000 O 0 0 0 0 0 0 0 0 0 2.1250 -2.2542 0.0000 C 0 0 3 0 0 0 0 0 0 2.1167 -3.9042 0.0000 C 0 0 3 0 0 0 0 0 0 2.8292 -5.9667 0.0000 O 0 0 0 0 0 0 0 0 0 5.7000 -0.1917 0.0000 C 0 0 0 0 0 0 0 0 0 6.4125 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 1.4042 -0.1917 0.0000 O 0 0 0 0 0 0 0 0 0 4.2667 -0.1917 0.0000 C 0 0 0 0 0 0 0 0 0 4.9792 -1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 4.9792 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 5.7000 -1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 1.4042 -2.6667 0.0000 C 0 0 0 0 0 0 0 0 0 2.8375 -2.6667 0.0000 C 0 0 0 0 0 0 0 0 0 2.8292 -3.4917 0.0000 C 0 0 0 0 0 0 0 0 0 1.4042 -3.4917 0.0000 C 0 0 0 0 0 0 0 0 0 7.1250 -0.1917 0.0000 C 0 0 0 0 0 0 0 0 0 6.4042 1.0458 0.0000 C 0 0 0 0 0 0 0 0 0 3.5417 -4.7292 0.0000 O 0 0 0 0 0 0 0 0 0 0.6917 -1.4292 0.0000 O 0 0 0 0 0 0 0 0 0 7.8292 1.0583 0.0000 C 0 0 0 0 0 0 0 0 0 7.1125 1.4583 0.0000 C 0 0 0 0 0 0 0 0 0 7.8375 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 8.5417 1.4708 0.0000 O 0 0 0 0 0 0 0 0 0 1.4000 -5.1417 0.0000 C 0 0 0 0 0 0 0 0 0 5.6875 -5.1417 0.0000 O 0 0 0 0 0 0 0 0 0 4.2542 -5.1417 0.0000 C 0 0 0 0 0 0 0 0 0 4.9750 -4.7292 0.0000 C 0 0 0 0 0 0 0 0 0 9.2625 1.0583 0.0000 C 0 0 0 0 0 0 0 0 0 6.4042 -4.7417 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 6 0 0 4 6 1 0 0 0 5 3 1 0 0 0 6 11 1 0 0 0 7 1 1 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 3 1 0 0 0 11 22 1 0 0 0 12 4 2 0 0 0 13 19 1 0 0 0 14 13 1 0 0 0 15 5 2 0 0 0 16 7 2 0 0 0 17 7 1 0 0 0 18 16 1 0 0 0 19 17 2 0 0 0 20 10 1 0 0 0 21 10 1 0 0 0 22 21 1 0 0 0 23 20 1 0 0 0 24 14 2 0 0 0 25 14 1 0 0 0 26 4 1 0 0 0 27 5 1 0 0 0 28 29 1 0 0 0 29 25 2 0 0 0 30 24 1 0 0 0 31 28 1 0 0 0 32 6 1 0 0 0 33 35 1 0 0 0 34 26 1 0 0 0 35 34 1 0 0 0 36 31 1 0 0 0 37 33 1 0 0 0 18 13 2 0 0 0 23 11 1 0 0 0 30 28 2 0 0 0 M END > 7.65757731917779 > 5.00749066493222 $$$$ 11280715002D 1 1.00000 0.00000 0 33 34 0 0 0 999 V2000 4.7792 -7.2250 0.0000 S 0 0 3 0 0 0 0 0 0 4.2542 -6.9250 0.0000 N 0 0 3 0 0 0 0 0 0 6.3417 -5.1125 0.0000 N 0 3 0 0 0 0 0 0 0 5.3000 -7.5250 0.0000 C 0 0 0 0 0 0 0 0 0 3.7375 -7.2250 0.0000 C 0 0 0 0 0 0 0 0 0 7.3917 -7.5167 0.0000 C 0 0 0 0 0 0 0 0 0 3.2125 -6.9250 0.0000 C 0 0 0 0 0 0 0 0 0 4.4792 -7.7417 0.0000 O 0 0 0 0 0 0 0 0 0 5.0875 -6.7042 0.0000 O 0 0 0 0 0 0 0 0 0 5.8167 -7.2167 0.0000 C 0 0 0 0 0 0 0 0 0 5.8292 -5.4125 0.0000 C 0 0 0 0 0 0 0 0 0 6.8667 -7.2125 0.0000 N 0 0 0 0 0 0 0 0 0 6.8750 -5.4125 0.0000 O 0 5 0 0 0 0 0 0 0 4.2542 -6.3167 0.0000 C 0 0 0 0 0 0 0 0 0 6.3417 -4.5042 0.0000 O 0 0 0 0 0 0 0 0 0 7.9167 -7.2125 0.0000 O 0 0 0 0 0 0 0 0 0 6.3417 -7.5167 0.0000 C 0 0 0 0 0 0 0 0 0 7.3917 -8.1167 0.0000 O 0 0 0 0 0 0 0 0 0 2.6917 -7.2250 0.0000 O 0 0 0 0 0 0 0 0 0 3.2125 -6.3167 0.0000 N 0 0 0 0 0 0 0 0 0 8.4292 -7.5125 0.0000 C 0 0 3 0 0 0 0 0 0 5.3000 -5.1125 0.0000 C 0 0 0 0 0 0 0 0 0 5.8292 -6.0167 0.0000 C 0 0 0 0 0 0 0 0 0 4.7792 -6.0167 0.0000 C 0 0 0 0 0 0 0 0 0 4.7792 -5.4125 0.0000 C 0 0 0 0 0 0 0 0 0 5.3000 -6.3167 0.0000 C 0 0 0 0 0 0 0 0 0 2.6917 -6.0167 0.0000 O 0 0 0 0 0 0 0 0 0 5.3000 -8.1292 0.0000 C 0 0 0 0 0 0 0 0 0 5.8250 -8.4292 0.0000 C 0 0 0 0 0 0 0 0 0 6.3417 -8.1292 0.0000 C 0 0 0 0 0 0 0 0 0 8.4417 -8.1167 0.0000 C 0 0 0 0 0 0 0 0 0 8.9542 -7.2042 0.0000 C 0 0 0 0 0 0 0 0 0 8.9542 -7.8125 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 11 1 0 0 0 4 1 1 0 0 0 5 2 1 0 0 0 6 12 1 0 0 0 7 5 1 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 4 1 0 0 0 11 23 2 0 0 0 12 17 1 0 0 0 13 3 1 0 0 0 14 2 1 0 0 0 15 3 2 0 0 0 16 6 1 0 0 0 17 10 2 0 0 0 18 6 2 0 0 0 19 7 2 0 0 0 20 7 1 0 0 0 21 16 1 0 0 0 22 25 2 0 0 0 23 26 1 0 0 0 24 14 1 0 0 0 25 24 1 0 0 0 26 24 2 0 0 0 27 20 1 0 0 0 28 4 2 0 0 0 29 28 1 0 0 0 30 29 2 0 0 0 31 21 1 0 0 0 32 21 1 0 0 0 33 21 1 0 0 0 17 30 1 0 0 0 22 11 1 0 0 0 M CHG 2 3 1 13 -1 M END > 8.04575749056067 > 8.04575749056067 $$$$ 11280715002D 1 1.00000 0.00000 0 39 41 0 0 0 999 V2000 3.9042 -7.2292 0.0000 S 0 0 3 0 0 0 0 0 0 7.5750 -7.2417 0.0000 S 0 0 3 0 0 0 0 0 0 3.3792 -6.9292 0.0000 N 0 0 3 0 0 0 0 0 0 7.0042 -7.0375 0.0000 N 0 0 0 0 0 0 0 0 0 5.4667 -5.1167 0.0000 N 0 3 0 0 0 0 0 0 0 6.5417 -7.4292 0.0000 C 0 0 0 0 0 0 0 0 0 4.4250 -7.5292 0.0000 C 0 0 0 0 0 0 0 0 0 2.8625 -7.2292 0.0000 C 0 0 0 0 0 0 0 0 0 2.3375 -6.9292 0.0000 C 0 0 0 0 0 0 0 0 0 8.1375 -7.4625 0.0000 C 0 0 0 0 0 0 0 0 0 3.6042 -7.7542 0.0000 O 0 0 0 0 0 0 0 0 0 4.2125 -6.7042 0.0000 O 0 0 0 0 0 0 0 0 0 4.9417 -7.2250 0.0000 C 0 0 0 0 0 0 0 0 0 4.9542 -5.4167 0.0000 C 0 0 0 0 0 0 0 0 0 7.7792 -6.6792 0.0000 O 0 0 0 0 0 0 0 0 0 7.3667 -7.8167 0.0000 O 0 0 0 0 0 0 0 0 0 5.9750 -7.2167 0.0000 N 0 0 0 0 0 0 0 0 0 6.0000 -5.4167 0.0000 O 0 5 0 0 0 0 0 0 0 3.3792 -6.3167 0.0000 C 0 0 0 0 0 0 0 0 0 5.4667 -4.5167 0.0000 O 0 0 0 0 0 0 0 0 0 5.4542 -7.5292 0.0000 C 0 0 0 0 0 0 0 0 0 6.5542 -7.9917 0.0000 O 0 0 0 0 0 0 0 0 0 1.8167 -7.2292 0.0000 O 0 0 0 0 0 0 0 0 0 2.3375 -6.3167 0.0000 N 0 0 0 0 0 0 0 0 0 8.2292 -8.0542 0.0000 C 0 0 0 0 0 0 0 0 0 8.5917 -7.0750 0.0000 C 0 0 0 0 0 0 0 0 0 4.9542 -6.0250 0.0000 C 0 0 0 0 0 0 0 0 0 4.4292 -5.1167 0.0000 C 0 0 0 0 0 0 0 0 0 3.9042 -6.0250 0.0000 C 0 0 0 0 0 0 0 0 0 9.2625 -7.8792 0.0000 C 0 0 0 0 0 0 0 0 0 4.4292 -6.3167 0.0000 C 0 0 0 0 0 0 0 0 0 3.9042 -5.4167 0.0000 C 0 0 0 0 0 0 0 0 0 8.7917 -8.2667 0.0000 C 0 0 0 0 0 0 0 0 0 9.1625 -7.2875 0.0000 C 0 0 0 0 0 0 0 0 0 9.8292 -8.0917 0.0000 F 0 0 0 0 0 0 0 0 0 1.8167 -6.0250 0.0000 O 0 0 0 0 0 0 0 0 0 4.4250 -8.1292 0.0000 C 0 0 0 0 0 0 0 0 0 4.9417 -8.4167 0.0000 C 0 0 0 0 0 0 0 0 0 5.4542 -8.1292 0.0000 C 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 3 1 1 0 0 0 4 6 1 0 0 0 5 14 1 0 0 0 6 17 1 0 0 0 7 1 1 0 0 0 8 3 1 0 0 0 9 8 1 0 0 0 10 2 1 0 0 0 11 1 2 0 0 0 12 1 2 0 0 0 13 7 1 0 0 0 14 28 1 0 0 0 15 2 2 0 0 0 16 2 2 0 0 0 17 21 1 0 0 0 18 5 1 0 0 0 19 3 1 0 0 0 20 5 2 0 0 0 21 13 2 0 0 0 22 6 2 0 0 0 23 9 2 0 0 0 24 9 1 0 0 0 25 10 2 0 0 0 26 10 1 0 0 0 27 31 1 0 0 0 28 32 2 0 0 0 29 19 1 0 0 0 30 34 1 0 0 0 31 29 2 0 0 0 32 29 1 0 0 0 33 25 1 0 0 0 34 26 2 0 0 0 35 30 1 0 0 0 36 24 1 0 0 0 37 7 2 0 0 0 38 37 1 0 0 0 39 38 2 0 0 0 21 39 1 0 0 0 27 14 2 0 0 0 33 30 2 0 0 0 M CHG 2 5 1 18 -1 M END > 7.76955107862173 > 7.76955107862173 $$$$ 11280715242D 1 1.00000 0.00000 0 28 30 0 0 0 999 V2000 4.8750 -1.8167 0.0000 S 0 0 3 0 0 0 0 0 0 4.8750 -2.4167 0.0000 N 0 0 3 0 0 0 0 0 0 4.3625 -2.7167 0.0000 C 0 0 3 0 0 0 0 0 0 4.8750 -3.6167 0.0000 N 0 0 3 0 0 0 0 0 0 4.8750 -4.2167 0.0000 C 0 0 0 0 0 0 0 0 0 4.3625 -3.3167 0.0000 C 0 0 0 0 0 0 0 0 0 3.8417 -2.4167 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -2.7167 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -4.5167 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -1.5167 0.0000 C 0 0 0 0 0 0 0 0 0 4.3250 -1.4375 0.0000 O 0 0 0 0 0 0 0 0 0 5.5875 -2.2292 0.0000 O 0 0 0 0 0 0 0 0 0 5.3917 -3.3167 0.0000 C 0 0 0 0 0 0 0 0 0 5.4542 -5.1167 0.0000 O 0 0 0 0 0 0 0 0 0 4.3542 -4.5167 0.0000 O 0 0 0 0 0 0 0 0 0 3.8375 -1.8167 0.0000 O 0 0 0 0 0 0 0 0 0 5.9417 -4.2750 0.0000 C 0 0 0 0 0 0 0 0 0 3.3167 -2.7167 0.0000 N 0 0 0 0 0 0 0 0 0 6.0417 -5.2417 0.0000 C 0 0 0 0 0 0 0 0 0 6.3417 -4.7167 0.0000 C 0 0 0 0 0 0 0 0 0 5.9125 -1.8167 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -0.9167 0.0000 C 0 0 0 0 0 0 0 0 0 6.4292 -0.9167 0.0000 C 0 0 0 0 0 0 0 0 0 5.9042 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 6.4292 -1.5167 0.0000 C 0 0 0 0 0 0 0 0 0 2.8000 -2.4167 0.0000 O 0 0 0 0 0 0 0 0 0 6.9500 -0.6167 0.0000 O 0 0 0 0 0 0 0 0 0 7.4667 -0.9125 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 13 1 0 0 0 5 4 1 0 0 0 6 3 1 0 0 0 7 3 1 0 0 0 8 2 1 0 0 0 9 5 1 0 0 0 10 1 1 0 0 0 11 1 2 0 0 0 12 1 2 0 0 0 13 8 1 0 0 0 14 9 1 0 0 0 15 5 2 0 0 0 16 7 2 0 0 0 17 9 2 0 0 0 18 7 1 0 0 0 19 14 1 0 0 0 20 17 1 0 0 0 21 10 2 0 0 0 22 10 1 0 0 0 23 24 1 0 0 0 24 22 2 0 0 0 25 21 1 0 0 0 26 18 1 0 0 0 27 23 1 0 0 0 28 27 1 0 0 0 23 25 2 0 0 0 4 6 1 0 0 0 20 19 2 0 0 0 M END > 8.60205999132796 > 7.60205999132796 $$$$ 11280715012D 1 1.00000 0.00000 0 39 42 0 0 0 999 V2000 2.7125 -4.2292 0.0000 S 0 0 3 0 0 0 0 0 0 1.9917 -3.8167 0.0000 N 0 0 0 0 0 0 0 0 0 1.2792 -4.2292 0.0000 C 0 0 3 0 0 0 0 0 0 -0.1500 -6.6917 0.0000 N 0 0 3 0 0 0 0 0 0 0.5667 -3.8167 0.0000 C 0 0 0 0 0 0 0 0 0 1.2792 -5.0542 0.0000 C 0 0 3 0 0 0 0 0 0 -0.8708 -6.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0.5625 -6.2792 0.0000 C 0 0 3 0 0 0 0 0 0 3.4292 -3.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0.5625 -5.4625 0.0000 C 0 0 0 0 0 0 0 0 0 2.1250 -4.8125 0.0000 O 0 0 0 0 0 0 0 0 0 3.2917 -4.8125 0.0000 O 0 0 0 0 0 0 0 0 0 -0.1583 -7.5167 0.0000 C 0 0 0 0 0 0 0 0 0 4.8542 -2.9875 0.0000 C 0 0 0 0 0 0 0 0 0 5.5667 -2.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0.5625 -2.9917 0.0000 O 0 0 0 0 0 0 0 0 0 -0.8625 -5.4542 0.0000 O 0 0 0 0 0 0 0 0 0 3.4292 -2.9875 0.0000 C 0 0 0 0 0 0 0 0 0 4.1417 -4.2292 0.0000 C 0 0 0 0 0 0 0 0 0 4.1417 -2.5750 0.0000 C 0 0 0 0 0 0 0 0 0 4.8542 -3.8167 0.0000 C 0 0 0 0 0 0 0 0 0 6.2792 -2.9792 0.0000 C 0 0 0 0 0 0 0 0 0 5.5625 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1500 -4.2292 0.0000 O 0 0 0 0 0 0 0 0 0 6.9917 -1.7417 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8708 -7.9292 0.0000 C 0 0 0 0 0 0 0 0 0 6.2667 -1.3292 0.0000 C 0 0 0 0 0 0 0 0 0 6.9917 -2.5667 0.0000 C 0 0 0 0 0 0 0 0 0 1.9917 -5.4542 0.0000 C 0 0 0 0 0 0 0 0 0 1.2750 -6.6917 0.0000 C 0 0 0 0 0 0 0 0 0 7.7042 -1.3250 0.0000 O 0 0 0 0 0 0 0 0 0 -1.5833 -6.6917 0.0000 C 0 0 0 0 0 0 0 0 0 1.9917 -6.2792 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8708 -8.7500 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5833 -7.5125 0.0000 C 0 0 0 0 0 0 0 0 0 8.4167 -1.7375 0.0000 C 0 0 0 0 0 0 0 0 0 -2.2958 -7.9250 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5833 -9.1625 0.0000 C 0 0 0 0 0 0 0 0 0 -2.2958 -8.7500 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 8 1 0 0 0 5 3 1 0 0 0 6 3 1 0 0 0 7 4 1 0 0 0 8 10 1 0 0 0 9 1 1 0 0 0 10 6 1 0 0 0 11 1 2 0 0 0 12 1 2 0 0 0 13 4 1 0 0 0 14 21 1 0 0 0 15 14 1 0 0 0 16 5 2 0 0 0 17 7 2 0 0 0 18 9 2 0 0 0 19 9 1 0 0 0 20 18 1 0 0 0 21 19 2 0 0 0 22 15 2 0 0 0 23 15 1 0 0 0 24 5 1 0 0 0 25 27 1 0 0 0 26 13 1 0 0 0 27 23 2 0 0 0 28 22 1 0 0 0 29 6 1 0 0 0 30 33 1 0 0 0 31 25 1 0 0 0 32 7 1 0 0 0 33 29 1 0 0 0 34 26 1 0 0 0 35 26 2 0 0 0 36 31 1 0 0 0 37 35 1 0 0 0 38 34 2 0 0 0 39 37 2 0 0 0 20 14 2 0 0 0 8 30 1 0 0 0 28 25 2 0 0 0 38 39 1 0 0 0 M END > 7.49485002168009 > 5.10182351650232 $$$$ Mrv0541 04051115152D 30 32 0 0 0 0 999 V2000 1.9412 2.1056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3409 0.9984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0554 0.5859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0554 -0.2391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3409 -0.6516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3735 -0.2391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3735 0.5859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3735 -1.8891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3735 -2.7141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0880 -3.1266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8025 -2.7141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8025 -1.8891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0880 -1.4766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5170 -3.1266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1042 3.7305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2474 2.9180 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0227 2.6359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6547 3.1662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1659 1.8234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0227 1.0109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6547 0.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4299 0.7628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5732 1.5753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3409 1.8234 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.3409 2.6484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4841 1.8234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3409 -1.4766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2314 -3.5391 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.9295 -2.4121 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.1045 -3.8411 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 23 1 0 0 0 0 2 3 2 0 0 0 0 2 7 1 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 27 1 0 0 0 0 6 7 2 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 12 13 2 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 16 15 1 0 0 0 0 17 16 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 23 22 1 0 0 0 0 25 24 2 0 0 0 0 26 24 2 0 0 0 0 M END > 9.39794000867204 > 5.09691001300806 $$$$ 11280714532D 1 1.00000 0.00000 0 32 35 0 0 0 999 V2000 2.7042 1.9083 0.0000 S 0 0 3 0 0 0 0 0 0 1.9917 1.4833 0.0000 N 0 0 3 0 0 0 0 0 0 2.0000 0.6583 0.0000 C 0 0 0 0 0 0 0 0 0 1.2875 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 2.7167 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0.5750 0.6583 0.0000 C 0 0 0 0 0 0 0 0 0 2.0000 -0.9917 0.0000 N 0 0 0 0 0 0 0 0 0 1.2875 -0.5792 0.0000 C 0 0 0 0 0 0 0 0 0 3.4167 2.3083 0.0000 C 0 0 0 0 0 0 0 0 0 3.1125 1.1958 0.0000 O 0 0 0 0 0 0 0 0 0 2.2875 2.6208 0.0000 O 0 0 0 0 0 0 0 0 0 2.7167 -0.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0.5750 1.4833 0.0000 O 0 0 0 0 0 0 0 0 0 7.7000 2.2458 0.0000 N 0 0 0 0 0 0 0 0 0 -0.1458 0.2458 0.0000 N 0 0 0 0 0 0 0 0 0 3.4292 3.1333 0.0000 C 0 0 0 0 0 0 0 0 0 4.1292 1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 5.5792 3.5208 0.0000 O 0 0 0 0 0 0 0 0 0 6.2875 3.0958 0.0000 C 0 0 0 0 0 0 0 0 0 4.8542 3.1125 0.0000 C 0 0 0 0 0 0 0 0 0 1.2750 1.8958 0.0000 C 0 0 0 0 0 0 0 0 0 4.8500 2.2875 0.0000 C 0 0 0 0 0 0 0 0 0 4.1417 3.5333 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8583 0.6583 0.0000 O 0 0 0 0 0 0 0 0 0 6.2667 2.2708 0.0000 C 0 0 0 0 0 0 0 0 0 7.0000 3.4958 0.0000 C 0 0 0 0 0 0 0 0 0 3.4250 0.6625 0.0000 C 0 0 0 0 0 0 0 0 0 7.7042 3.0833 0.0000 C 0 0 0 0 0 0 0 0 0 6.9750 1.8458 0.0000 C 0 0 0 0 0 0 0 0 0 3.4292 -0.9917 0.0000 C 0 0 0 0 0 0 0 0 0 4.1417 0.2583 0.0000 C 0 0 0 0 0 0 0 0 0 4.1417 -0.5750 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 3 2 0 0 0 6 4 1 0 0 0 7 12 2 0 0 0 8 4 2 0 0 0 9 1 1 0 0 0 10 1 2 0 0 0 11 1 2 0 0 0 12 5 1 0 0 0 13 6 2 0 0 0 14 28 1 0 0 0 15 6 1 0 0 0 16 9 1 0 0 0 17 9 2 0 0 0 18 20 1 0 0 0 19 18 1 0 0 0 20 22 2 0 0 0 21 2 1 0 0 0 22 17 1 0 0 0 23 16 2 0 0 0 24 15 1 0 0 0 25 19 2 0 0 0 26 19 1 0 0 0 27 5 1 0 0 0 28 26 2 0 0 0 29 25 1 0 0 0 30 12 1 0 0 0 31 27 2 0 0 0 32 31 1 0 0 0 20 23 1 0 0 0 7 8 1 0 0 0 32 30 2 0 0 0 14 29 2 0 0 0 M END > 9 > 5.99481948749622 $$$$ CDK 9/16/09,9:57 36 39 0 0 0 0 0 0 0 0999 V2000 11.2777 -2.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2766 -3.7648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9914 -4.1777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7078 -3.7644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7050 -2.9338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9896 -2.5247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4179 -2.5186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5632 -2.5251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5630 -1.7001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8488 -2.9378 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1342 -2.5255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9871 -1.6997 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.7004 -1.2851 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.2714 -1.2893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2690 -0.4643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9841 -0.0545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9820 0.7698 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2657 1.1810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5501 0.7619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5558 -0.0610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4125 -0.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1166 -1.9973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2833 -0.5733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1305 -1.2772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8421 -0.8594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8363 -0.0326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1129 0.3747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4042 -0.0454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5446 0.3846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2631 -0.0233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9733 0.3949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9664 1.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2433 1.6266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5359 1.2061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6766 1.6406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3953 1.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17 18 2 0 0 0 0 8 9 2 0 0 0 0 18 19 1 0 0 0 0 4 5 1 0 0 0 0 19 20 2 0 0 0 0 20 15 1 0 0 0 0 8 10 1 0 0 0 0 13 21 1 0 0 0 0 2 3 1 0 0 0 0 13 22 2 0 0 0 0 10 11 1 0 0 0 0 13 23 2 0 0 0 0 5 6 2 0 0 0 0 21 24 2 0 0 0 0 6 12 1 0 0 0 0 24 25 1 0 0 0 0 6 1 1 0 0 0 0 25 26 2 0 0 0 0 12 13 1 0 0 0 0 26 27 1 0 0 0 0 1 2 2 0 0 0 0 27 28 2 0 0 0 0 28 21 1 0 0 0 0 12 14 1 0 0 0 0 5 7 1 0 0 0 0 29 30 2 0 0 0 0 14 15 1 0 0 0 0 30 31 1 0 0 0 0 3 4 2 0 0 0 0 31 32 2 0 0 0 0 15 16 2 0 0 0 0 32 33 1 0 0 0 0 1 8 1 0 0 0 0 33 34 2 0 0 0 0 34 29 1 0 0 0 0 26 29 1 0 0 0 0 16 17 1 0 0 0 0 32 35 1 0 0 0 0 35 36 1 0 0 0 0 M END > 7.74472749489669 > 5.64435694977913 $$$$ CDK 10/19/10,15:45 31 33 0 0 0 0 0 0 0 0999 V2000 -2.8579 9.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 8.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 8.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 7.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.6000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 5.3625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 6.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 7.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9684 6.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3184 6.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 9.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 6.1875 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 4.5375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 3 7 1 0 0 0 0 4 8 2 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 7 16 2 0 0 0 0 8 16 1 0 0 0 0 9 19 1 0 0 0 0 10 20 1 0 0 0 0 11 13 1 0 0 0 0 11 17 2 0 0 0 0 12 14 2 0 0 0 0 12 17 1 0 0 0 0 13 18 2 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 15 23 1 0 0 0 0 17 28 1 0 0 0 0 18 29 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 6 0 0 0 19 30 1 0 0 0 0 20 23 1 6 0 0 0 20 31 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 25 1 0 0 0 0 23 29 1 0 0 0 0 26 29 2 0 0 0 0 27 29 2 0 0 0 0 M END > 6.53610701101409 > 6.44249279809434 $$$$ 11280714532D 1 1.00000 0.00000 0 34 37 0 0 0 999 V2000 2.8500 -0.4417 0.0000 S 0 0 3 0 0 0 0 0 0 2.1417 -0.8625 0.0000 N 0 0 3 0 0 0 0 0 0 2.1417 -1.6875 0.0000 C 0 0 0 0 0 0 0 0 0 1.4292 -2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 2.8625 -2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 2.1417 -3.3417 0.0000 N 0 0 0 0 0 0 0 0 0 2.8625 -2.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0.7167 -1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 1.4292 -2.9292 0.0000 C 0 0 0 0 0 0 0 0 0 3.5667 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 3.2542 -1.1542 0.0000 O 0 0 0 0 0 0 0 0 0 2.4292 0.2750 0.0000 O 0 0 0 0 0 0 0 0 0 1.4167 -0.4542 0.0000 C 0 0 0 0 0 0 0 0 0 3.5792 -3.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0.7167 -0.8667 0.0000 O 0 0 0 0 0 0 0 0 0 2.1167 1.6083 0.0000 N 0 0 0 0 0 0 0 0 0 0.0042 -2.1042 0.0000 N 0 0 0 0 0 0 0 0 0 1.4167 0.3708 0.0000 C 0 0 0 0 0 0 0 0 0 3.5750 0.7833 0.0000 C 0 0 0 0 0 0 0 0 0 4.2750 -0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 3.5667 -1.6792 0.0000 C 0 0 0 0 0 0 0 0 0 3.5792 -4.1625 0.0000 I 0 0 0 0 0 0 0 0 0 5.0042 0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 4.2917 1.1875 0.0000 C 0 0 0 0 0 0 0 0 0 4.9917 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7083 -1.6917 0.0000 O 0 0 0 0 0 0 0 0 0 2.1292 0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 5.7250 1.1708 0.0000 O 0 0 0 0 0 0 0 0 0 4.2875 -2.0917 0.0000 C 0 0 0 0 0 0 0 0 0 4.2917 -2.9167 0.0000 C 0 0 0 0 0 0 0 0 0 1.4000 2.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0.7000 0.7750 0.0000 C 0 0 0 0 0 0 0 0 0 6.4292 0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0.6917 1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 3 2 0 0 0 6 7 2 0 0 0 7 5 1 0 0 0 8 4 1 0 0 0 9 4 2 0 0 0 10 1 1 0 0 0 11 1 2 0 0 0 12 1 2 0 0 0 13 2 1 0 0 0 14 7 1 0 0 0 15 8 2 0 0 0 16 27 2 0 0 0 17 8 1 0 0 0 18 13 1 0 0 0 19 10 1 0 0 0 20 10 2 0 0 0 21 5 1 0 0 0 22 14 1 0 0 0 23 25 2 0 0 0 24 19 2 0 0 0 25 20 1 0 0 0 26 17 1 0 0 0 27 18 1 0 0 0 28 23 1 0 0 0 29 21 2 0 0 0 30 29 1 0 0 0 31 34 2 0 0 0 32 18 2 0 0 0 33 28 1 0 0 0 34 32 1 0 0 0 23 24 1 0 0 0 6 9 1 0 0 0 31 16 1 0 0 0 30 14 2 0 0 0 M END > 8.52287874528034 > 7.1249387366083 $$$$ SciTegic11161115462D 33 35 0 0 0 0 999 V2000 -3.3887 -25.0753 0.0000 C 0 0 -4.1049 -25.4867 0.0000 C 0 0 -4.1067 -26.3081 0.0000 C 0 0 -3.3939 -26.7243 0.0000 N 0 0 -2.6777 -26.3129 0.0000 C 0 0 -2.6743 -25.4853 0.0000 C 0 0 -2.6743 -24.6626 0.0000 S 0 0 -2.2620 -23.9481 0.0000 O 0 0 -3.0870 -23.9483 0.0000 O 0 0 -1.9598 -25.0750 0.0000 C 0 0 -1.9609 -25.9023 0.0000 C 0 0 -1.2461 -26.3152 0.0000 C 0 0 -0.5297 -25.9019 0.0000 C 0 0 -0.5325 -25.0713 0.0000 C 0 0 -1.2479 -24.6622 0.0000 C 0 0 0.1855 -26.3132 0.0000 O 0 0 -4.1033 -24.6630 0.0000 C 0 0 -4.1035 -23.8380 0.0000 O 0 0 -4.8176 -25.0756 0.0000 N 0 0 -5.5322 -24.6633 0.0000 O 0 0 0.8993 -25.8996 0.0000 C 0 0 1.6110 -26.3114 0.0000 C 0 0 2.3244 -25.8985 0.0000 C 0 0 2.3235 -25.0726 0.0000 C 0 0 1.6034 -24.6614 0.0000 C 0 0 0.8930 -25.0767 0.0000 C 0 0 -3.3969 -27.5493 0.0000 C 0 0 -2.6841 -27.9603 0.0000 C 0 0 3.0368 -24.6580 0.0000 C 0 0 3.7525 -25.0685 0.0000 C 0 0 3.0344 -23.8330 0.0000 C 0 0 -2.6836 -28.7853 0.0000 O 0 0 -1.9689 -29.1973 0.0000 C 0 0 7 1 1 0 1 2 1 0 1 17 1 0 1 6 1 0 17 18 2 0 2 3 1 0 17 19 1 0 3 4 1 0 19 20 1 0 10 11 2 0 16 21 1 0 4 5 1 0 21 22 2 0 11 12 1 0 22 23 1 0 5 6 1 0 23 24 2 0 12 13 2 0 24 25 1 0 8 7 2 0 25 26 2 0 26 21 1 0 13 14 1 0 4 27 1 0 7 9 2 0 27 28 1 0 14 15 2 0 24 29 1 0 15 10 1 0 29 30 1 0 29 31 1 0 13 16 1 0 28 32 1 0 10 7 1 0 32 33 1 0 M END > 9.69897000433602 > 5 $$$$ 11280715312D 1 1.00000 0.00000 0 31 34 0 1 0 999 V2000 3.2167 -1.6167 0.0000 N 0 0 3 0 0 0 0 0 0 3.2167 -1.0167 0.0000 S 0 0 3 0 0 0 0 0 0 2.7375 -1.9667 0.0000 C 0 0 2 0 0 0 0 0 0 3.7042 -1.9667 0.0000 C 0 0 0 0 0 0 0 0 0 2.9167 -2.5417 0.0000 C 0 0 0 0 0 0 0 0 0 2.1667 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 3.5167 -2.5417 0.0000 C 0 0 2 0 0 0 0 0 0 3.8750 -3.0250 0.0000 N 0 0 3 0 0 0 0 0 0 3.7417 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 3.2125 -0.4167 0.0000 O 0 0 0 0 0 0 0 0 0 2.6375 -0.8542 0.0000 O 0 0 0 0 0 0 0 0 0 2.0417 -1.1917 0.0000 O 0 0 0 0 0 0 0 0 0 1.7167 -2.1792 0.0000 N 0 0 0 0 0 0 0 0 0 3.7417 -0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 4.2625 -1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 5.3000 0.1833 0.0000 O 0 0 0 0 0 0 0 0 0 4.7792 -0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 4.2542 0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 4.7792 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 5.8167 -0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 1.1500 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 3.6292 -3.5667 0.0000 C 0 0 0 0 0 0 0 0 0 4.4667 -2.9542 0.0000 C 0 0 0 0 0 0 0 0 0 5.8167 -0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 6.3292 0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 4.8167 -3.4417 0.0000 C 0 0 0 0 0 0 0 0 0 3.9792 -4.0542 0.0000 C 0 0 0 0 0 0 0 0 0 6.8542 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 6.3375 -1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 4.5750 -3.9917 0.0000 C 0 0 0 0 0 0 0 0 0 6.8542 -0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 1 1 0 0 0 3 5 1 6 0 0 6 3 1 0 0 0 7 4 1 0 0 0 7 8 1 1 0 0 9 2 1 0 0 0 10 2 2 0 0 0 11 2 2 0 0 0 12 6 2 0 0 0 13 6 1 0 0 0 14 9 1 0 0 0 15 9 2 0 0 0 16 17 1 0 0 0 17 19 2 0 0 0 18 14 2 0 0 0 19 15 1 0 0 0 20 16 1 0 0 0 21 13 1 0 0 0 22 8 1 0 0 0 23 8 1 0 0 0 24 20 2 0 0 0 25 20 1 0 0 0 26 23 1 0 0 0 27 22 1 0 0 0 28 25 2 0 0 0 29 24 1 0 0 0 30 26 1 0 0 0 31 28 1 0 0 0 7 5 1 0 0 0 17 18 1 0 0 0 30 27 1 0 0 0 31 29 2 0 0 0 M END > 9.39794000867204 > 7.76955107862173 $$$$ 11280715332D 1 1.00000 0.00000 0 26 27 0 1 0 999 V2000 5.7875 -3.5000 0.0000 S 0 0 3 0 0 0 0 0 0 6.0750 -4.2792 0.0000 N 0 0 3 0 0 0 0 0 0 5.5417 -4.9125 0.0000 C 0 0 1 0 0 0 0 0 0 4.7167 -4.8667 0.0000 C 0 0 0 0 0 0 0 0 0 6.8375 -4.5875 0.0000 C 0 0 0 0 0 0 0 0 0 5.9792 -5.6042 0.0000 C 0 0 0 0 0 0 0 0 0 6.5667 -3.2125 0.0000 C 0 0 0 0 0 0 0 0 0 5.5000 -2.7167 0.0000 O 0 0 0 0 0 0 0 0 0 5.0042 -3.7875 0.0000 O 0 0 0 0 0 0 0 0 0 6.7792 -5.4125 0.0000 C 0 0 3 0 0 0 0 0 0 4.3417 -4.1292 0.0000 O 0 0 0 0 0 0 0 0 0 4.2667 -5.5625 0.0000 N 0 0 0 0 0 0 0 0 0 7.1917 -3.7375 0.0000 C 0 0 0 0 0 0 0 0 0 6.7042 -2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 7.4042 -5.9500 0.0000 N 0 0 0 0 0 0 0 0 0 8.1125 -2.6417 0.0000 C 0 0 0 0 0 0 0 0 0 7.9667 -3.4542 0.0000 C 0 0 0 0 0 0 0 0 0 7.4792 -2.1167 0.0000 C 0 0 0 0 0 0 0 0 0 3.4417 -5.5167 0.0000 O 0 0 0 0 0 0 0 0 0 8.1792 -5.6750 0.0000 O 0 0 0 0 0 0 0 0 0 8.8917 -2.3625 0.0000 O 0 0 0 0 0 0 0 0 0 9.5292 -2.8917 0.0000 C 0 0 0 0 0 0 0 0 0 8.8042 -6.2042 0.0000 C 0 0 0 0 0 0 0 0 0 10.3042 -2.6167 0.0000 C 0 0 0 0 0 0 0 0 0 10.9292 -3.1500 0.0000 C 0 0 0 0 0 0 0 0 0 11.7042 -2.8750 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 2 1 0 0 0 3 6 1 6 0 0 7 1 1 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 5 1 0 0 0 11 4 2 0 0 0 12 4 1 0 0 0 13 7 2 0 0 0 14 7 1 0 0 0 10 15 1 0 0 0 16 18 1 0 0 0 17 13 1 0 0 0 18 14 2 0 0 0 19 12 1 0 0 0 20 15 1 0 0 0 21 16 1 0 0 0 22 21 1 0 0 0 23 20 1 0 0 0 24 22 1 0 0 0 25 24 1 0 0 0 26 25 1 0 0 0 16 17 2 0 0 0 10 6 1 0 0 0 M END > 8.69897000433602 > 6.10237290870956 $$$$ 11280715162D 1 1.00000 0.00000 0 32 35 0 0 0 999 V2000 0.7250 -4.8792 0.0000 N 0 0 3 0 0 0 0 0 0 0.2417 -5.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0.2417 -4.2042 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5458 -4.4625 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5458 -5.2875 0.0000 C 0 0 0 0 0 0 0 0 0 1.5500 -4.8792 0.0000 C 0 0 0 0 0 0 0 0 0 3.2042 -4.8875 0.0000 C 0 0 0 0 0 0 0 0 0 2.7917 -4.1667 0.0000 C 0 0 3 0 0 0 0 0 0 0.4917 -6.3292 0.0000 O 0 0 0 0 0 0 0 0 0 0.4917 -3.4167 0.0000 O 0 0 0 0 0 0 0 0 0 1.9625 -4.1667 0.0000 C 0 0 0 0 0 0 0 0 0 5.2750 -1.3042 0.0000 C 0 0 0 0 0 0 0 0 0 2.7917 -5.6000 0.0000 O 0 0 0 0 0 0 0 0 0 3.2042 -3.4542 0.0000 C 0 0 0 0 0 0 0 0 0 4.0292 -4.8792 0.0000 N 0 0 0 0 0 0 0 0 0 5.6875 -0.5917 0.0000 C 0 0 0 0 0 0 0 0 0 4.4417 -1.3042 0.0000 C 0 0 0 0 0 0 0 0 0 5.6875 -2.0292 0.0000 C 0 0 0 0 0 0 0 0 0 4.0292 -3.4542 0.0000 O 0 0 0 0 0 0 0 0 0 4.4417 -2.7417 0.0000 C 0 0 0 0 0 0 0 0 0 4.0292 -2.0250 0.0000 C 0 0 0 0 0 0 0 0 0 5.2750 -2.7417 0.0000 C 0 0 0 0 0 0 0 0 0 -1.2583 -5.7000 0.0000 C 0 0 0 0 0 0 0 0 0 -1.2583 -4.0500 0.0000 C 0 0 0 0 0 0 0 0 0 4.4417 -4.1667 0.0000 O 0 0 0 0 0 0 0 0 0 6.5167 -0.5917 0.0000 C 0 0 0 0 0 0 0 0 0 5.2750 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 -1.9708 -5.2875 0.0000 C 0 0 0 0 0 0 0 0 0 -1.9708 -4.4625 0.0000 C 0 0 0 0 0 0 0 0 0 5.6875 0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 6.9292 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 6.5167 0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 3 1 0 0 0 5 2 1 0 0 0 6 1 1 0 0 0 7 8 1 0 0 0 8 11 1 0 0 0 9 2 2 0 0 0 10 3 2 0 0 0 11 6 1 0 0 0 12 18 2 0 0 0 13 7 2 0 0 0 14 8 1 0 0 0 15 7 1 0 0 0 16 12 1 0 0 0 17 21 2 0 0 0 18 22 1 0 0 0 19 14 1 0 0 0 20 19 1 0 0 0 21 20 1 0 0 0 22 20 2 0 0 0 23 5 2 0 0 0 24 4 2 0 0 0 25 15 1 0 0 0 26 16 2 0 0 0 27 16 1 0 0 0 28 23 1 0 0 0 29 24 1 0 0 0 30 27 2 0 0 0 31 26 1 0 0 0 32 30 1 0 0 0 4 5 1 0 0 0 29 28 2 0 0 0 17 12 1 0 0 0 31 32 2 0 0 0 M END > 8.15490195998574 > 6.11463877996849 $$$$ 11280715082D 1 1.00000 0.00000 0 33 35 0 0 0 999 V2000 9.0167 -11.3917 0.0000 C 0 0 3 0 0 0 0 0 0 8.3042 -11.8125 0.0000 S 0 0 3 0 0 0 0 0 0 9.7375 -11.7917 0.0000 C 0 0 0 0 0 0 0 0 0 8.3042 -10.9875 0.0000 C 0 0 0 0 0 0 0 0 0 9.7292 -10.9875 0.0000 C 0 0 0 0 0 0 0 0 0 7.5875 -11.4000 0.0000 C 0 0 0 0 0 0 0 0 0 9.0167 -9.7417 0.0000 N 0 0 3 0 0 0 0 0 0 8.8875 -12.3917 0.0000 O 0 0 0 0 0 0 0 0 0 7.7167 -12.3917 0.0000 O 0 0 0 0 0 0 0 0 0 10.4417 -7.2750 0.0000 C 0 0 0 0 0 0 0 0 0 11.1625 -7.6792 0.0000 C 0 0 0 0 0 0 0 0 0 9.7500 -12.6167 0.0000 O 0 0 0 0 0 0 0 0 0 9.7292 -7.6875 0.0000 C 0 0 0 0 0 0 0 0 0 10.4417 -11.3750 0.0000 N 0 0 0 0 0 0 0 0 0 9.7292 -8.5042 0.0000 C 0 0 0 0 0 0 0 0 0 8.3042 -10.1625 0.0000 C 0 0 0 0 0 0 0 0 0 9.7292 -10.1625 0.0000 C 0 0 0 0 0 0 0 0 0 9.0167 -8.9167 0.0000 C 0 0 0 0 0 0 0 0 0 7.5875 -10.5667 0.0000 C 0 0 0 0 0 0 0 0 0 6.8667 -11.8125 0.0000 C 0 0 0 0 0 0 0 0 0 11.1542 -8.5125 0.0000 C 0 0 0 0 0 0 0 0 0 10.4375 -6.4500 0.0000 Cl 0 0 0 0 0 0 0 0 0 10.4417 -8.9250 0.0000 C 0 0 0 0 0 0 0 0 0 11.8750 -7.2667 0.0000 Cl 0 0 0 0 0 0 0 0 0 6.1542 -10.5750 0.0000 C 0 0 0 0 0 0 0 0 0 6.8667 -10.1542 0.0000 C 0 0 0 0 0 0 0 0 0 6.1542 -11.4000 0.0000 C 0 0 0 0 0 0 0 0 0 11.1667 -11.7750 0.0000 O 0 0 0 0 0 0 0 0 0 5.4417 -10.1542 0.0000 O 0 0 0 0 0 0 0 0 0 4.7292 -10.5667 0.0000 C 0 0 0 0 0 0 0 0 0 4.0125 -10.1542 0.0000 C 0 0 0 0 0 0 0 0 0 3.3000 -10.5667 0.0000 C 0 0 0 0 0 0 0 0 0 2.5792 -10.1542 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 1 1 0 0 0 5 1 1 0 0 0 6 2 1 0 0 0 7 17 1 0 0 0 8 2 2 0 0 0 9 2 2 0 0 0 10 13 2 0 0 0 11 21 2 0 0 0 12 3 2 0 0 0 13 15 1 0 0 0 14 3 1 0 0 0 15 18 1 0 0 0 16 4 1 0 0 0 17 5 1 0 0 0 18 7 1 0 0 0 19 6 1 0 0 0 20 6 2 0 0 0 21 23 1 0 0 0 22 10 1 0 0 0 23 15 2 0 0 0 24 11 1 0 0 0 25 27 2 0 0 0 26 19 2 0 0 0 27 20 1 0 0 0 28 14 1 0 0 0 29 25 1 0 0 0 30 29 1 0 0 0 31 30 1 0 0 0 32 31 1 0 0 0 33 32 1 0 0 0 16 7 1 0 0 0 26 25 1 0 0 0 10 11 1 0 0 0 M END > 8.30102999566398 > 5.43533393574791 $$$$ 11280715152D 1 1.00000 0.00000 0 31 33 0 1 0 999 V2000 5.8500 -8.3417 0.0000 S 0 0 3 0 0 0 0 0 0 5.5375 -6.1292 0.0000 C 0 0 2 0 0 0 0 0 0 6.2500 -5.7167 0.0000 C 0 0 2 0 0 0 0 0 0 6.9625 -6.1292 0.0000 C 0 0 0 0 0 0 0 0 0 5.2917 -7.7500 0.0000 N 0 0 3 0 0 0 0 0 0 5.5375 -6.9542 0.0000 C 0 0 0 0 0 0 0 0 0 7.6792 -5.7167 0.0000 N 0 0 3 0 0 0 0 0 0 4.8167 -5.7167 0.0000 C 0 0 0 0 0 0 0 0 0 5.2542 -8.9167 0.0000 O 0 0 0 0 0 0 0 0 0 6.4542 -7.7750 0.0000 O 0 0 0 0 0 0 0 0 0 6.2500 -4.8917 0.0000 C 0 0 0 0 0 0 0 0 0 6.9625 -6.9542 0.0000 O 0 0 0 0 0 0 0 0 0 4.8167 -4.8917 0.0000 O 0 0 0 0 0 0 0 0 0 4.5667 -8.1375 0.0000 C 0 0 3 0 0 0 0 0 0 4.1042 -6.1292 0.0000 N 0 0 0 0 0 0 0 0 0 6.4167 -8.9417 0.0000 C 0 0 0 0 0 0 0 0 0 3.3917 -5.7167 0.0000 O 0 0 0 0 0 0 0 0 0 8.3875 -6.1292 0.0000 C 0 0 0 0 0 0 0 0 0 7.6667 -4.8917 0.0000 C 0 0 0 0 0 0 0 0 0 6.8292 -4.3042 0.0000 C 0 0 3 0 0 0 0 0 0 3.8167 -7.7792 0.0000 C 0 0 0 0 0 0 0 0 0 4.4500 -8.9542 0.0000 C 0 0 0 0 0 0 0 0 0 7.6500 -4.4292 0.0000 C 0 0 0 0 0 0 0 0 0 6.6917 -3.4917 0.0000 C 0 0 0 0 0 0 0 0 0 8.3917 -4.4792 0.0000 C 0 0 0 0 0 0 0 0 0 9.1000 -5.7250 0.0000 C 0 0 0 0 0 0 0 0 0 3.6292 -9.1042 0.0000 C 0 0 0 0 0 0 0 0 0 3.2500 -8.3667 0.0000 C 0 0 0 0 0 0 0 0 0 7.4292 -3.1125 0.0000 C 0 0 0 0 0 0 0 0 0 8.0167 -3.6917 0.0000 C 0 0 0 0 0 0 0 0 0 9.1042 -4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 2 6 1 6 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 1 1 0 0 0 6 5 1 0 0 0 7 4 1 0 0 0 8 2 1 0 0 0 9 1 2 0 0 0 10 1 2 0 0 0 3 11 1 1 0 0 12 4 2 0 0 0 13 8 2 0 0 0 14 5 1 0 0 0 15 8 1 0 0 0 16 1 1 0 0 0 17 15 1 0 0 0 18 7 1 0 0 0 19 7 1 0 0 0 20 11 1 0 0 0 21 14 1 0 0 0 22 14 1 0 0 0 23 20 1 0 0 0 24 20 1 0 0 0 25 19 1 0 0 0 26 18 1 0 0 0 27 22 1 0 0 0 28 21 1 0 0 0 29 24 1 0 0 0 30 23 1 0 0 0 31 25 1 0 0 0 28 27 1 0 0 0 30 29 1 0 0 0 26 31 1 0 0 0 M END > 6.69897000433602 > 7.69897000433602 $$$$ 11280714532D 1 1.00000 0.00000 0 35 38 0 0 0 999 V2000 2.3167 0.2208 0.0000 S 0 0 3 0 0 0 0 0 0 1.6042 -0.2042 0.0000 N 0 0 3 0 0 0 0 0 0 1.6125 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0.9000 -1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 2.3292 -1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 1.6125 -2.6792 0.0000 N 0 0 0 0 0 0 0 0 0 2.3292 -2.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0.1875 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0.9000 -2.2667 0.0000 C 0 0 0 0 0 0 0 0 0 3.0292 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 2.7250 -0.4917 0.0000 O 0 0 0 0 0 0 0 0 0 1.9000 0.9333 0.0000 O 0 0 0 0 0 0 0 0 0 0.8875 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0.1875 -0.2042 0.0000 O 0 0 0 0 0 0 0 0 0 3.0417 -2.6792 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5333 -1.4417 0.0000 N 0 0 0 0 0 0 0 0 0 3.7417 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 3.0417 1.4458 0.0000 C 0 0 0 0 0 0 0 0 0 3.0375 -1.0250 0.0000 C 0 0 0 0 0 0 0 0 0 4.4667 1.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0.8792 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 3.7542 1.8458 0.0000 C 0 0 0 0 0 0 0 0 0 4.4625 0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 -1.2458 -1.0292 0.0000 O 0 0 0 0 0 0 0 0 0 5.1917 1.8333 0.0000 O 0 0 0 0 0 0 0 0 0 3.7542 -1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 3.7542 -2.2625 0.0000 C 0 0 0 0 0 0 0 0 0 3.0417 -3.5042 0.0000 C 0 0 0 0 0 0 0 0 0 1.5917 1.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0.1667 1.4333 0.0000 C 0 0 0 0 0 0 0 0 0 5.9000 1.4125 0.0000 C 0 0 0 0 0 0 0 0 0 3.7625 -3.9125 0.0000 C 0 0 0 0 0 0 0 0 0 1.5917 2.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0.1542 2.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0.8667 2.6750 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 3 2 0 0 0 6 7 2 0 0 0 7 5 1 0 0 0 8 4 1 0 0 0 9 4 2 0 0 0 10 1 1 0 0 0 11 1 2 0 0 0 12 1 2 0 0 0 13 2 1 0 0 0 14 8 2 0 0 0 15 7 1 0 0 0 16 8 1 0 0 0 17 10 2 0 0 0 18 10 1 0 0 0 19 5 1 0 0 0 20 22 1 0 0 0 21 13 1 0 0 0 22 18 2 0 0 0 23 17 1 0 0 0 24 16 1 0 0 0 25 20 1 0 0 0 26 19 2 0 0 0 27 26 1 0 0 0 28 15 1 0 0 0 29 21 2 0 0 0 30 21 1 0 0 0 31 25 1 0 0 0 32 28 1 0 0 0 33 29 1 0 0 0 34 30 2 0 0 0 35 34 1 0 0 0 20 23 2 0 0 0 6 9 1 0 0 0 35 33 2 0 0 0 27 15 2 0 0 0 M END > 8.39794000867204 > 6.71669877129645 $$$$ 11280715442D 1 1.00000 0.00000 0 30 32 0 1 0 999 V2000 0.1292 -0.4375 0.0000 S 0 0 3 0 0 0 0 0 0 0.1292 0.3875 0.0000 N 0 0 3 0 0 0 0 0 0 0.8417 0.7958 0.0000 C 0 0 1 0 0 0 0 0 0 1.5542 0.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0.1250 -1.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0.8417 1.6208 0.0000 C 0 0 2 0 0 0 0 0 0 0.9542 -0.4375 0.0000 O 0 0 0 0 0 0 0 0 0 -0.6958 -0.4292 0.0000 O 0 0 0 0 0 0 0 0 0 1.9625 -0.3292 0.0000 O 0 0 0 0 0 0 0 0 0 2.2667 0.8000 0.0000 N 0 0 0 0 0 0 0 0 0 -0.5833 0.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0.8292 -1.6750 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5958 -1.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0.1000 -3.7292 0.0000 O 0 0 0 0 0 0 0 0 0 0.1042 -2.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0.8375 2.4458 0.0000 O 0 0 0 0 0 0 0 0 0 2.2292 -4.1417 0.0000 C 0 0 0 0 0 0 0 0 0 2.9500 -3.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0.8125 -4.1417 0.0000 C 0 0 0 0 0 0 0 0 0 1.5250 -3.7292 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6083 -2.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0.8250 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 3.7417 -3.9417 0.0000 F 0 0 0 0 0 0 0 0 0 2.9792 0.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0.1292 2.0375 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5833 1.6208 0.0000 C 0 0 0 0 0 0 0 0 0 1.6375 1.8375 0.0000 C 0 0 0 0 0 0 0 0 0 2.2292 -2.4917 0.0000 C 0 0 0 0 0 0 0 0 0 2.9500 -2.9042 0.0000 C 0 0 0 0 0 0 0 0 0 1.5167 -2.9042 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 3 4 1 6 0 0 5 1 1 0 0 0 6 3 1 0 0 0 7 1 2 0 0 0 8 1 2 0 0 0 9 4 2 0 0 0 10 4 1 0 0 0 11 2 1 0 0 0 12 5 1 0 0 0 13 5 2 0 0 0 14 15 1 0 0 0 15 21 2 0 0 0 6 16 1 1 0 0 17 20 2 0 0 0 18 17 1 0 0 0 19 14 1 0 0 0 20 19 1 0 0 0 21 13 1 0 0 0 22 12 2 0 0 0 23 18 1 0 0 0 24 10 1 0 0 0 25 26 1 0 0 0 26 11 1 0 0 0 6 27 1 6 0 0 28 30 2 0 0 0 29 28 1 0 0 0 30 20 1 0 0 0 15 22 1 0 0 0 25 6 1 0 0 0 29 18 2 0 0 0 M END > 8.82390874094432 > 6.46852108295774 $$$$ 11280715212D 1 1.00000 0.00000 0 31 33 0 0 0 999 V2000 1.7625 -0.6292 0.0000 S 0 0 3 0 0 0 0 0 0 1.0500 -1.0417 0.0000 N 0 0 3 0 0 0 0 0 0 0.3292 -2.2750 0.0000 C 0 0 0 0 0 0 0 0 0 1.0500 -1.8667 0.0000 C 0 0 0 0 0 0 0 0 0 1.7625 -2.2750 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3833 -1.8625 0.0000 C 0 0 0 0 0 0 0 0 0 2.4750 -0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 1.3500 0.0833 0.0000 O 0 0 0 0 0 0 0 0 0 2.1792 -1.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0.3292 -3.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0.3292 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 1.7667 -3.0917 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3750 -1.0375 0.0000 O 0 0 0 0 0 0 0 0 0 1.0500 -3.5125 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0958 -2.2667 0.0000 N 0 0 0 0 0 0 0 0 0 3.1917 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 2.4625 0.6083 0.0000 C 0 0 0 0 0 0 0 0 0 3.8917 0.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0.3292 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 3.1667 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 3.9000 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 -1.8083 -1.8542 0.0000 O 0 0 0 0 0 0 0 0 0 2.4750 -1.8542 0.0000 C 0 0 0 0 0 0 0 0 0 4.6042 1.0458 0.0000 O 0 0 0 0 0 0 0 0 0 1.0500 -4.3375 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3833 0.6083 0.0000 C 0 0 0 0 0 0 0 0 0 1.0500 0.6083 0.0000 C 0 0 0 0 0 0 0 0 0 4.5917 1.8708 0.0000 C 0 0 0 0 0 0 0 0 0 1.0500 1.4375 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3833 1.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0.3292 1.8500 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 4 2 0 0 0 4 2 1 0 0 0 5 4 1 0 0 0 6 3 1 0 0 0 7 1 1 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 3 1 0 0 0 11 2 1 0 0 0 12 5 2 0 0 0 13 6 2 0 0 0 14 12 1 0 0 0 15 6 1 0 0 0 16 7 2 0 0 0 17 7 1 0 0 0 18 20 1 0 0 0 19 11 1 0 0 0 20 17 2 0 0 0 21 16 1 0 0 0 22 15 1 0 0 0 23 5 1 0 0 0 24 18 1 0 0 0 25 14 1 0 0 0 26 19 1 0 0 0 27 19 2 0 0 0 28 24 1 0 0 0 29 27 1 0 0 0 30 26 2 0 0 0 31 29 2 0 0 0 21 18 2 0 0 0 10 14 2 0 0 0 31 30 1 0 0 0 M END > 7.82390874094432 > 7.08618614761628 $$$$ 11280715312D 1 1.00000 0.00000 0 32 34 0 1 0 999 V2000 3.7292 -2.0625 0.0000 S 0 0 3 0 0 0 0 0 0 3.7292 -2.6625 0.0000 N 0 0 3 0 0 0 0 0 0 4.9792 -4.0042 0.0000 S 0 0 3 0 0 0 0 0 0 3.2500 -3.0125 0.0000 C 0 0 1 0 0 0 0 0 0 2.6792 -2.8292 0.0000 C 0 0 0 0 0 0 0 0 0 4.3875 -4.0667 0.0000 N 0 0 0 0 0 0 0 0 0 4.2167 -3.0125 0.0000 C 0 0 0 0 0 0 0 0 0 4.0292 -3.5875 0.0000 C 0 0 2 0 0 0 0 0 0 3.4292 -3.5875 0.0000 C 0 0 0 0 0 0 0 0 0 4.2542 -1.7625 0.0000 C 0 0 0 0 0 0 0 0 0 5.3375 -4.4917 0.0000 C 0 0 0 0 0 0 0 0 0 3.7250 -1.4625 0.0000 O 0 0 0 0 0 0 0 0 0 3.1500 -1.9042 0.0000 O 0 0 0 0 0 0 0 0 0 4.9792 -3.4042 0.0000 O 0 0 0 0 0 0 0 0 0 5.5625 -3.8500 0.0000 O 0 0 0 0 0 0 0 0 0 2.5542 -2.2417 0.0000 O 0 0 0 0 0 0 0 0 0 2.2292 -3.2292 0.0000 N 0 0 0 0 0 0 0 0 0 4.2542 -1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 4.7750 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 5.0917 -5.0417 0.0000 C 0 0 0 0 0 0 0 0 0 5.9292 -4.4292 0.0000 C 0 0 0 0 0 0 0 0 0 6.0375 -5.4625 0.0000 C 0 0 0 0 0 0 0 0 0 5.2917 -1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 5.4417 -5.5250 0.0000 C 0 0 0 0 0 0 0 0 0 4.7667 -0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 6.2792 -4.9125 0.0000 C 0 0 0 0 0 0 0 0 0 5.2917 -1.7625 0.0000 C 0 0 0 0 0 0 0 0 0 1.6625 -3.0417 0.0000 O 0 0 0 0 0 0 0 0 0 5.8125 -0.8625 0.0000 O 0 0 0 0 0 0 0 0 0 6.3917 -5.9500 0.0000 O 0 0 0 0 0 0 0 0 0 6.3292 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 6.1500 -6.4917 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 6 1 0 0 0 4 2 1 0 0 0 5 4 1 0 0 0 8 6 1 1 0 0 7 2 1 0 0 0 8 7 1 0 0 0 4 9 1 6 0 0 10 1 1 0 0 0 11 3 1 0 0 0 12 1 2 0 0 0 13 1 2 0 0 0 14 3 2 0 0 0 15 3 2 0 0 0 16 5 2 0 0 0 17 5 1 0 0 0 18 10 1 0 0 0 19 10 2 0 0 0 20 11 2 0 0 0 21 11 1 0 0 0 22 26 1 0 0 0 23 27 2 0 0 0 24 20 1 0 0 0 25 18 2 0 0 0 26 21 2 0 0 0 27 19 1 0 0 0 28 17 1 0 0 0 29 23 1 0 0 0 30 22 1 0 0 0 31 29 1 0 0 0 32 30 1 0 0 0 25 23 1 0 0 0 8 9 1 0 0 0 22 24 2 0 0 0 M END > 8.69897000433602 > 6.45593195564972 $$$$ 11280715002D 1 1.00000 0.00000 0 26 27 0 0 0 999 V2000 7.2542 -4.3167 0.0000 N 0 3 0 0 0 0 0 0 0 5.7000 -8.8250 0.0000 N 0 3 0 0 0 0 0 0 0 5.1792 -6.1250 0.0000 N 0 0 3 0 0 0 0 0 0 4.1375 -6.1250 0.0000 C 0 0 0 0 0 0 0 0 0 4.6625 -6.4250 0.0000 C 0 0 0 0 0 0 0 0 0 5.7000 -8.2250 0.0000 C 0 0 0 0 0 0 0 0 0 6.7375 -4.6250 0.0000 C 0 0 0 0 0 0 0 0 0 7.7750 -4.6250 0.0000 O 0 5 0 0 0 0 0 0 0 5.1792 -9.1250 0.0000 O 0 5 0 0 0 0 0 0 0 5.7000 -6.4250 0.0000 S 0 0 0 0 0 0 0 0 0 7.2542 -3.7250 0.0000 O 0 0 0 0 0 0 0 0 0 6.2250 -9.1250 0.0000 O 0 0 0 0 0 0 0 0 0 3.6250 -6.4250 0.0000 O 0 0 0 0 0 0 0 0 0 4.1375 -5.5250 0.0000 N 0 0 0 0 0 0 0 0 0 5.1792 -5.5250 0.0000 C 0 0 0 0 0 0 0 0 0 6.2167 -7.9250 0.0000 C 0 0 0 0 0 0 0 0 0 6.2125 -4.3167 0.0000 C 0 0 0 0 0 0 0 0 0 5.1750 -7.9250 0.0000 C 0 0 0 0 0 0 0 0 0 6.7375 -5.2250 0.0000 C 0 0 0 0 0 0 0 0 0 5.7000 -7.0250 0.0000 C 0 0 0 0 0 0 0 0 0 5.7000 -5.2250 0.0000 C 0 0 0 0 0 0 0 0 0 6.2167 -7.3250 0.0000 C 0 0 0 0 0 0 0 0 0 5.1750 -7.3250 0.0000 C 0 0 0 0 0 0 0 0 0 5.7000 -4.6250 0.0000 C 0 0 0 0 0 0 0 0 0 6.2167 -5.5250 0.0000 C 0 0 0 0 0 0 0 0 0 3.6250 -5.2250 0.0000 O 0 0 0 0 0 0 0 0 0 2 6 1 0 0 0 3 15 1 0 0 0 4 5 1 0 0 0 5 3 1 0 0 0 6 18 2 0 0 0 7 1 1 0 0 0 8 1 1 0 0 0 9 2 1 0 0 0 10 3 1 0 0 0 11 1 2 0 0 0 12 2 2 0 0 0 13 4 2 0 0 0 14 4 1 0 0 0 15 21 1 0 0 0 16 22 2 0 0 0 17 7 1 0 0 0 18 23 1 0 0 0 19 7 2 0 0 0 20 10 1 0 0 0 21 25 2 0 0 0 22 20 1 0 0 0 23 20 2 0 0 0 24 17 2 0 0 0 25 19 1 0 0 0 26 14 1 0 0 0 24 21 1 0 0 0 16 6 1 0 0 0 M CHG 4 1 1 2 1 8 -1 9 -1 M END > 7.88605664769316 > 7.88605664769316 $$$$ 11280715152D 1 1.00000 0.00000 0 32 33 0 1 0 999 V2000 4.0792 -5.2625 0.0000 S 0 0 3 0 0 0 0 0 0 4.4542 -3.0542 0.0000 C 0 0 2 0 0 0 0 0 0 5.1667 -2.6417 0.0000 C 0 0 2 0 0 0 0 0 0 5.8792 -3.0542 0.0000 C 0 0 0 0 0 0 0 0 0 3.8667 -4.4667 0.0000 N 0 0 3 0 0 0 0 0 0 4.4542 -3.8792 0.0000 C 0 0 0 0 0 0 0 0 0 6.6000 -2.6417 0.0000 N 0 0 3 0 0 0 0 0 0 3.7417 -2.6417 0.0000 C 0 0 0 0 0 0 0 0 0 4.2917 -6.0542 0.0000 C 0 0 0 0 0 0 0 0 0 4.8750 -5.0417 0.0000 O 0 0 0 0 0 0 0 0 0 3.2792 -5.4750 0.0000 O 0 0 0 0 0 0 0 0 0 5.8792 -3.8792 0.0000 O 0 0 0 0 0 0 0 0 0 5.1667 -1.8167 0.0000 C 0 0 0 0 0 0 0 0 0 3.7417 -1.8167 0.0000 O 0 0 0 0 0 0 0 0 0 3.0292 -3.0542 0.0000 N 0 0 0 0 0 0 0 0 0 3.7125 -6.6417 0.0000 C 0 0 0 0 0 0 0 0 0 5.0917 -6.2625 0.0000 C 0 0 0 0 0 0 0 0 0 4.7292 -7.6417 0.0000 C 0 0 0 0 0 0 0 0 0 5.3042 -7.0542 0.0000 C 0 0 0 0 0 0 0 0 0 3.9292 -7.4292 0.0000 C 0 0 0 0 0 0 0 0 0 2.3125 -2.6417 0.0000 O 0 0 0 0 0 0 0 0 0 3.0417 -4.4625 0.0000 C 0 0 0 0 0 0 0 0 0 6.5917 -1.8167 0.0000 C 0 0 0 0 0 0 0 0 0 7.3042 -3.0542 0.0000 C 0 0 0 0 0 0 0 0 0 4.9417 -8.4417 0.0000 O 0 0 0 0 0 0 0 0 0 5.8792 -1.4042 0.0000 C 0 0 3 0 0 0 0 0 0 4.3667 -9.0292 0.0000 C 0 0 0 0 0 0 0 0 0 6.6792 -1.1875 0.0000 C 0 0 0 0 0 0 0 0 0 5.8792 -0.5792 0.0000 C 0 0 0 0 0 0 0 0 0 7.3125 -1.4042 0.0000 C 0 0 0 0 0 0 0 0 0 8.0167 -2.6500 0.0000 C 0 0 0 0 0 0 0 0 0 8.0250 -1.8250 0.0000 C 0 0 0 0 0 0 0 0 0 2 6 1 6 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 1 1 0 0 0 6 5 1 0 0 0 7 4 1 0 0 0 8 2 1 0 0 0 9 1 1 0 0 0 10 1 2 0 0 0 11 1 2 0 0 0 12 4 2 0 0 0 3 13 1 1 0 0 14 8 2 0 0 0 15 8 1 0 0 0 16 9 2 0 0 0 17 9 1 0 0 0 18 19 1 0 0 0 19 17 2 0 0 0 20 16 1 0 0 0 21 15 1 0 0 0 22 5 1 0 0 0 23 7 1 0 0 0 24 7 1 0 0 0 25 18 1 0 0 0 26 13 1 0 0 0 27 25 1 0 0 0 28 26 1 0 0 0 29 26 1 0 0 0 30 23 1 0 0 0 31 24 1 0 0 0 32 31 1 0 0 0 20 18 2 0 0 0 32 30 1 0 0 0 M END > 7 > 7.09691001300806 $$$$ 11280715082D 1 1.00000 0.00000 0 26 26 0 0 0 999 V2000 0.7750 -1.9542 0.0000 S 0 0 3 0 0 0 0 0 0 1.4875 -1.5417 0.0000 C 0 0 3 0 0 0 0 0 0 2.2042 -1.9417 0.0000 C 0 0 0 0 0 0 0 0 0 2.1917 -1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0.7667 -1.1417 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0500 -1.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0.1875 -2.5417 0.0000 O 0 0 0 0 0 0 0 0 0 1.3542 -2.5417 0.0000 O 0 0 0 0 0 0 0 0 0 2.1917 -0.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0.7625 -0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 2.2125 -2.7667 0.0000 O 0 0 0 0 0 0 0 0 0 2.9125 -1.5250 0.0000 N 0 0 0 0 0 0 0 0 0 0.0417 0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 2.9042 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 -0.4333 -2.7167 0.0000 C 0 0 0 0 0 0 0 0 0 -0.4958 -1.2917 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7000 -2.0542 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3208 -1.3292 0.0000 C 0 0 0 0 0 0 0 0 0 -1.2583 -2.7542 0.0000 C 0 0 0 0 0 0 0 0 0 3.6292 -1.9292 0.0000 O 0 0 0 0 0 0 0 0 0 -2.5250 -2.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0.0417 0.9208 0.0000 C 0 0 0 0 0 0 0 0 0 3.6167 -0.2917 0.0000 C 0 0 0 0 0 0 0 0 0 2.8917 0.9458 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6708 -0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 -2.9083 -2.8250 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 2 1 0 0 0 5 2 1 0 0 0 6 1 1 0 0 0 7 1 2 0 0 0 8 1 2 0 0 0 9 4 1 0 0 0 10 5 1 0 0 0 11 3 2 0 0 0 12 3 1 0 0 0 13 10 2 0 0 0 14 9 2 0 0 0 15 6 1 0 0 0 16 6 2 0 0 0 17 18 2 0 0 0 18 16 1 0 0 0 19 15 2 0 0 0 20 12 1 0 0 0 21 17 1 0 0 0 22 13 1 0 0 0 23 14 1 0 0 0 24 14 1 0 0 0 25 13 1 0 0 0 26 21 1 0 0 0 19 17 1 0 0 0 M END > 9.39794000867204 > 7.60205999132796 $$$$ 11280715152D 1 1.00000 0.00000 0 29 30 0 1 0 999 V2000 2.2917 -4.2542 0.0000 S 0 0 3 0 0 0 0 0 0 2.6750 -2.0542 0.0000 C 0 0 2 0 0 0 0 0 0 3.3875 -1.6417 0.0000 C 0 0 2 0 0 0 0 0 0 4.1000 -2.0542 0.0000 C 0 0 0 0 0 0 0 0 0 2.0875 -3.4667 0.0000 N 0 0 3 0 0 0 0 0 0 2.6750 -2.8792 0.0000 C 0 0 0 0 0 0 0 0 0 4.8167 -1.6417 0.0000 N 0 0 3 0 0 0 0 0 0 1.9542 -1.6417 0.0000 C 0 0 0 0 0 0 0 0 0 1.4917 -4.4750 0.0000 O 0 0 0 0 0 0 0 0 0 3.0917 -4.0417 0.0000 O 0 0 0 0 0 0 0 0 0 3.3875 -0.8167 0.0000 C 0 0 0 0 0 0 0 0 0 4.1000 -2.8792 0.0000 O 0 0 0 0 0 0 0 0 0 1.9542 -0.8167 0.0000 O 0 0 0 0 0 0 0 0 0 1.2417 -2.0542 0.0000 N 0 0 0 0 0 0 0 0 0 1.2625 -3.4625 0.0000 C 0 0 3 0 0 0 0 0 0 2.5042 -5.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0.5292 -1.6417 0.0000 O 0 0 0 0 0 0 0 0 0 5.5250 -2.0542 0.0000 C 0 0 0 0 0 0 0 0 0 4.8042 -0.8167 0.0000 C 0 0 0 0 0 0 0 0 0 3.9667 -0.2292 0.0000 C 0 0 3 0 0 0 0 0 0 0.5500 -3.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0.5417 -3.8667 0.0000 C 0 0 0 0 0 0 0 0 0 4.7875 -0.3542 0.0000 C 0 0 0 0 0 0 0 0 0 3.8292 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 5.5292 -0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 6.2375 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 4.5667 0.9625 0.0000 C 0 0 0 0 0 0 0 0 0 5.1542 0.3833 0.0000 C 0 0 0 0 0 0 0 0 0 6.2417 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 2 6 1 6 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 1 1 0 0 0 6 5 1 0 0 0 7 4 1 0 0 0 8 2 1 0 0 0 9 1 2 0 0 0 10 1 2 0 0 0 3 11 1 1 0 0 12 4 2 0 0 0 13 8 2 0 0 0 14 8 1 0 0 0 15 5 1 0 0 0 16 1 1 0 0 0 17 14 1 0 0 0 18 7 1 0 0 0 19 7 1 0 0 0 20 11 1 0 0 0 21 15 1 0 0 0 22 15 1 0 0 0 23 20 1 0 0 0 24 20 1 0 0 0 25 19 1 0 0 0 26 18 1 0 0 0 27 24 1 0 0 0 28 23 1 0 0 0 29 25 1 0 0 0 28 27 1 0 0 0 26 29 1 0 0 0 M END > 6.22184874961636 > 7.52287874528034 $$$$ Mrv0541 04051115152D 28 29 0 0 0 0 999 V2000 -3.4790 -2.4262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6586 -2.3400 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.5723 -3.1604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7448 -1.5195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8381 -2.2537 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5025 -1.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6956 -1.3285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9150 -0.7856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3630 -0.1725 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5345 0.6345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9214 1.1865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3191 0.8894 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4907 1.6964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6093 -0.5080 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1052 -0.0955 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5177 -0.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3073 0.6189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8196 0.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8196 1.1420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5341 1.5545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2486 1.1420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2486 0.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5341 -0.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9630 1.5545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6775 1.1420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3920 1.5545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1064 1.1420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8209 1.5545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 3 2 2 0 0 0 0 4 2 1 0 0 0 0 5 2 1 0 0 0 0 6 5 1 1 0 0 0 7 6 1 0 0 0 0 6 8 1 0 0 0 0 7 14 1 0 0 0 0 9 8 1 0 0 0 0 9 10 1 6 0 0 0 9 14 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 14 15 1 0 0 0 0 16 15 2 0 0 0 0 17 15 2 0 0 0 0 18 15 1 0 0 0 0 18 19 2 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 24 1 0 0 0 0 22 23 2 0 0 0 0 25 24 1 0 0 0 0 26 25 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 M END > 9.15490195998574 > 5.88605664769316 $$$$ 11280715002D 1 1.00000 0.00000 0 38 40 0 0 0 999 V2000 5.2667 -5.2292 0.0000 S 0 0 3 0 0 0 0 0 0 7.8625 -7.9250 0.0000 S 0 0 3 0 0 0 0 0 0 4.7417 -4.9250 0.0000 N 0 0 3 0 0 0 0 0 0 7.8625 -7.3167 0.0000 N 0 0 0 0 0 0 0 0 0 6.8292 -3.1125 0.0000 N 0 3 0 0 0 0 0 0 0 7.3417 -7.0167 0.0000 C 0 0 0 0 0 0 0 0 0 4.2167 -5.2292 0.0000 C 0 0 0 0 0 0 0 0 0 5.7875 -5.5167 0.0000 C 0 0 0 0 0 0 0 0 0 7.8625 -8.5292 0.0000 C 0 0 0 0 0 0 0 0 0 3.6917 -4.9250 0.0000 C 0 0 0 0 0 0 0 0 0 4.9667 -5.7500 0.0000 O 0 0 0 0 0 0 0 0 0 5.5750 -4.7042 0.0000 O 0 0 0 0 0 0 0 0 0 6.3167 -3.4167 0.0000 C 0 0 0 0 0 0 0 0 0 8.4667 -7.9292 0.0000 O 0 0 0 0 0 0 0 0 0 7.2542 -7.9250 0.0000 O 0 0 0 0 0 0 0 0 0 7.3375 -6.4167 0.0000 N 0 0 0 0 0 0 0 0 0 7.3625 -3.4167 0.0000 O 0 5 0 0 0 0 0 0 0 4.7417 -4.3167 0.0000 C 0 0 0 0 0 0 0 0 0 6.8292 -2.5042 0.0000 O 0 0 0 0 0 0 0 0 0 6.8167 -7.3292 0.0000 O 0 0 0 0 0 0 0 0 0 3.1792 -5.2292 0.0000 O 0 0 0 0 0 0 0 0 0 5.7792 -6.1167 0.0000 C 0 0 0 0 0 0 0 0 0 6.3000 -5.2167 0.0000 C 0 0 0 0 0 0 0 0 0 7.3375 -8.8292 0.0000 C 0 0 0 0 0 0 0 0 0 8.3792 -8.8292 0.0000 C 0 0 0 0 0 0 0 0 0 5.7875 -3.1125 0.0000 C 0 0 0 0 0 0 0 0 0 6.3167 -4.0167 0.0000 C 0 0 0 0 0 0 0 0 0 6.8167 -6.1167 0.0000 C 0 0 0 0 0 0 0 0 0 5.2667 -4.0167 0.0000 C 0 0 0 0 0 0 0 0 0 7.8500 -9.7292 0.0000 C 0 0 0 0 0 0 0 0 0 3.6917 -4.3167 0.0000 O 0 0 0 0 0 0 0 0 0 6.3000 -6.4167 0.0000 C 0 0 0 0 0 0 0 0 0 6.8167 -5.5167 0.0000 C 0 0 0 0 0 0 0 0 0 5.2667 -3.4167 0.0000 C 0 0 0 0 0 0 0 0 0 5.7875 -4.3167 0.0000 C 0 0 0 0 0 0 0 0 0 8.3750 -9.4292 0.0000 C 0 0 0 0 0 0 0 0 0 7.3292 -9.4250 0.0000 C 0 0 0 0 0 0 0 0 0 7.8417 -10.3375 0.0000 Cl 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 3 1 1 0 0 0 4 6 1 0 0 0 5 13 1 0 0 0 6 16 1 0 0 0 7 3 1 0 0 0 8 1 1 0 0 0 9 2 1 0 0 0 10 7 1 0 0 0 11 1 2 0 0 0 12 1 2 0 0 0 13 27 2 0 0 0 14 2 2 0 0 0 15 2 2 0 0 0 16 28 1 0 0 0 17 5 1 0 0 0 18 3 1 0 0 0 19 5 2 0 0 0 20 6 2 0 0 0 21 10 2 0 0 0 22 8 2 0 0 0 23 8 1 0 0 0 24 9 2 0 0 0 25 9 1 0 0 0 26 34 2 0 0 0 27 35 1 0 0 0 28 33 1 0 0 0 29 18 1 0 0 0 30 36 1 0 0 0 31 10 1 0 0 0 32 22 1 0 0 0 33 23 2 0 0 0 34 29 1 0 0 0 35 29 2 0 0 0 36 25 2 0 0 0 37 24 1 0 0 0 38 30 1 0 0 0 32 28 2 0 0 0 13 26 1 0 0 0 37 30 2 0 0 0 M CHG 2 5 1 17 -1 M END > 7.48148606012211 > 7.48148606012211 $$$$ 11280715142D 1 1.00000 0.00000 0 32 33 0 1 0 999 V2000 2.6167 0.7333 0.0000 S 0 0 3 0 0 0 0 0 0 1.8917 0.3083 0.0000 N 0 0 3 0 0 0 0 0 0 1.9042 -0.5250 0.0000 C 0 0 1 0 0 0 0 0 0 1.2000 -0.9417 0.0000 C 0 0 0 0 0 0 0 0 0 3.3375 1.1583 0.0000 C 0 0 0 0 0 0 0 0 0 3.0417 0.0083 0.0000 O 0 0 0 0 0 0 0 0 0 2.1917 1.4500 0.0000 O 0 0 0 0 0 0 0 0 0 6.1917 3.6458 0.0000 C 0 0 0 0 0 0 0 0 0 6.9167 4.0625 0.0000 C 0 0 0 0 0 0 0 0 0 2.6292 -0.9292 0.0000 C 0 0 0 0 0 0 0 0 0 1.2042 -1.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0.4792 -0.5292 0.0000 N 0 0 0 0 0 0 0 0 0 4.0500 0.7458 0.0000 C 0 0 0 0 0 0 0 0 0 3.3375 1.9833 0.0000 C 0 0 0 0 0 0 0 0 0 2.6250 -1.7542 0.0000 C 0 0 0 0 0 0 0 0 0 3.3375 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 1.1667 0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 4.0542 -1.7542 0.0000 C 0 0 0 0 0 0 0 0 0 4.7667 1.9833 0.0000 C 0 0 0 0 0 0 0 0 0 3.3417 -2.1667 0.0000 C 0 0 0 0 0 0 0 0 0 4.0500 2.3958 0.0000 C 0 0 0 0 0 0 0 0 0 4.0542 -0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 4.7667 1.1583 0.0000 C 0 0 0 0 0 0 0 0 0 5.5000 -4.2250 0.0000 N 0 0 0 0 0 0 0 0 0 -0.2333 -0.9417 0.0000 O 0 0 0 0 0 0 0 0 0 5.4792 3.2333 0.0000 C 0 0 0 0 0 0 0 0 0 5.4875 2.4083 0.0000 O 0 0 0 0 0 0 0 0 0 4.7750 -2.1625 0.0000 O 0 0 0 0 0 0 0 0 0 7.6375 4.4792 0.0000 C 0 0 0 0 0 0 0 0 0 5.4917 -3.4000 0.0000 C 0 0 0 0 0 0 0 0 0 4.7875 -4.6375 0.0000 C 0 0 0 0 0 0 0 0 0 4.7792 -2.9875 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 1 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 26 1 0 0 0 9 8 3 0 0 0 3 10 1 6 0 0 11 4 2 0 0 0 12 4 1 0 0 0 13 5 1 0 0 0 14 5 2 0 0 0 15 10 2 0 0 0 16 10 1 0 0 0 17 2 1 0 0 0 18 22 1 0 0 0 19 21 2 0 0 0 20 15 1 0 0 0 21 14 1 0 0 0 22 16 2 0 0 0 23 13 2 0 0 0 24 30 1 0 0 0 25 12 1 0 0 0 26 27 1 0 0 0 27 19 1 0 0 0 28 18 1 0 0 0 29 9 1 0 0 0 30 32 1 0 0 0 31 24 1 0 0 0 32 28 1 0 0 0 19 23 1 0 0 0 18 20 2 0 0 0 M END > 7.56863623584101 > 6.0329202658555 $$$$ 11280715162D 1 1.00000 0.00000 0 37 40 0 0 0 999 V2000 3.6250 -1.5167 0.0000 S 0 0 3 0 0 0 0 0 0 2.9042 -1.1042 0.0000 N 0 0 3 0 0 0 0 0 0 2.1917 -1.5250 0.0000 C 0 0 0 0 0 0 0 0 0 1.4792 -1.1125 0.0000 C 0 0 0 0 0 0 0 0 0 2.1917 -2.3542 0.0000 C 0 0 0 0 0 0 0 0 0 1.4750 -0.2875 0.0000 C 0 0 0 0 0 0 0 0 0 4.3375 -1.9292 0.0000 C 0 0 0 0 0 0 0 0 0 2.9125 -3.5917 0.0000 N 0 0 3 0 0 0 0 0 0 3.6250 -2.3417 0.0000 O 0 0 0 0 0 0 0 0 0 4.3375 -1.1042 0.0000 O 0 0 0 0 0 0 0 0 0 2.9125 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 2.9167 -5.2375 0.0000 N 0 0 3 0 0 0 0 0 0 2.1917 0.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0.7625 0.1208 0.0000 N 0 0 0 0 0 0 0 0 0 5.0417 -1.5167 0.0000 C 0 0 0 0 0 0 0 0 0 4.3292 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 6.4667 -3.1542 0.0000 O 0 0 0 0 0 0 0 0 0 2.1917 -4.0042 0.0000 C 0 0 0 0 0 0 0 0 0 3.6250 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 3.6292 -4.8167 0.0000 C 0 0 0 0 0 0 0 0 0 2.1917 -4.8250 0.0000 C 0 0 0 0 0 0 0 0 0 5.7542 -2.7417 0.0000 C 0 0 0 0 0 0 0 0 0 7.1792 -2.7375 0.0000 C 0 0 0 0 0 0 0 0 0 2.9042 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0.7667 -1.5250 0.0000 C 0 0 0 0 0 0 0 0 0 8.6000 -1.9125 0.0000 C 0 0 0 0 0 0 0 0 0 1.4792 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 5.7542 -1.9167 0.0000 C 0 0 0 0 0 0 0 0 0 5.0417 -3.1542 0.0000 C 0 0 0 0 0 0 0 0 0 9.3125 -1.4917 0.0000 Cl 0 0 0 0 0 0 0 0 0 7.1667 -1.9167 0.0000 C 0 0 0 0 0 0 0 0 0 7.8917 -3.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0.7542 0.9458 0.0000 O 0 0 0 0 0 0 0 0 0 8.6042 -2.7375 0.0000 C 0 0 0 0 0 0 0 0 0 7.8792 -1.5042 0.0000 C 0 0 0 0 0 0 0 0 0 2.9167 -6.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0.7667 -2.3542 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 2 0 0 0 5 3 1 0 0 0 6 4 1 0 0 0 7 1 1 0 0 0 8 11 1 0 0 0 9 1 2 0 0 0 10 1 2 0 0 0 11 5 1 0 0 0 12 20 1 0 0 0 13 6 2 0 0 0 14 6 1 0 0 0 15 7 1 0 0 0 16 7 2 0 0 0 17 22 1 0 0 0 18 8 1 0 0 0 19 8 1 0 0 0 20 19 1 0 0 0 21 18 1 0 0 0 22 29 2 0 0 0 23 17 1 0 0 0 24 2 1 0 0 0 25 4 1 0 0 0 26 34 2 0 0 0 27 5 2 0 0 0 28 15 2 0 0 0 29 16 1 0 0 0 30 26 1 0 0 0 31 23 1 0 0 0 32 23 2 0 0 0 33 14 1 0 0 0 34 32 1 0 0 0 35 31 2 0 0 0 36 12 1 0 0 0 37 27 1 0 0 0 22 28 1 0 0 0 37 25 2 0 0 0 12 21 1 0 0 0 26 35 1 0 0 0 M END > 9.09691001300806 > 6.80966830182971 $$$$ 11280715052D 1 1.00000 0.00000 0 36 39 0 0 0 999 V2000 4.6917 -3.3292 0.0000 S 0 0 3 0 0 0 0 0 0 2.6042 -3.9625 0.0000 C 0 0 0 0 0 0 0 0 0 3.8667 -3.2917 0.0000 N 0 0 3 0 0 0 0 0 0 3.4292 -3.9917 0.0000 C 0 0 0 0 0 0 0 0 0 2.1667 -4.6625 0.0000 C 0 0 0 0 0 0 0 0 0 3.8167 -4.7292 0.0000 C 0 0 0 0 0 0 0 0 0 2.2167 -3.2292 0.0000 C 0 0 0 0 0 0 0 0 0 2.5500 -5.3917 0.0000 C 0 0 0 0 0 0 0 0 0 5.5167 -3.3292 0.0000 C 0 0 0 0 0 0 0 0 0 3.3750 -5.4250 0.0000 C 0 0 0 0 0 0 0 0 0 5.1292 -2.6292 0.0000 O 0 0 0 0 0 0 0 0 0 5.0792 -4.0542 0.0000 O 0 0 0 0 0 0 0 0 0 3.4875 -2.5667 0.0000 C 0 0 0 0 0 0 0 0 0 2.6625 -2.5292 0.0000 O 0 0 0 0 0 0 0 0 0 5.1917 -1.2000 0.0000 N 0 0 0 0 0 0 0 0 0 2.1042 -6.0875 0.0000 C 0 0 0 0 0 0 0 0 0 1.3917 -3.2042 0.0000 N 0 0 0 0 0 0 0 0 0 3.9292 -1.8667 0.0000 C 0 0 0 0 0 0 0 0 0 5.9250 -2.6167 0.0000 C 0 0 0 0 0 0 0 0 0 5.9292 -4.0417 0.0000 C 0 0 0 0 0 0 0 0 0 7.1625 -3.3250 0.0000 C 0 0 0 0 0 0 0 0 0 6.7500 -4.0375 0.0000 C 0 0 0 0 0 0 0 0 0 6.7417 -2.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0.9542 -3.9042 0.0000 O 0 0 0 0 0 0 0 0 0 4.6417 -4.7625 0.0000 C 0 0 0 0 0 0 0 0 0 4.7542 -1.9000 0.0000 C 0 0 0 0 0 0 0 0 0 7.9875 -3.3167 0.0000 O 0 0 0 0 0 0 0 0 0 4.8042 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 3.5417 -1.1292 0.0000 C 0 0 0 0 0 0 0 0 0 1.2792 -6.0500 0.0000 C 0 0 0 0 0 0 0 0 0 2.4917 -6.8125 0.0000 C 0 0 0 0 0 0 0 0 0 8.4000 -4.0375 0.0000 C 0 0 0 0 0 0 0 0 0 3.9875 -0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 2.0542 -7.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0.8417 -6.7417 0.0000 C 0 0 0 0 0 0 0 0 0 1.2292 -7.4792 0.0000 C 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 3 1 1 0 0 0 4 3 1 0 0 0 5 2 2 0 0 0 6 4 2 0 0 0 7 2 1 0 0 0 8 10 2 0 0 0 9 1 1 0 0 0 10 6 1 0 0 0 11 1 2 0 0 0 12 1 2 0 0 0 13 3 1 0 0 0 14 7 2 0 0 0 15 26 2 0 0 0 16 8 1 0 0 0 17 7 1 0 0 0 18 13 1 0 0 0 19 9 1 0 0 0 20 9 2 0 0 0 21 22 2 0 0 0 22 20 1 0 0 0 23 19 2 0 0 0 24 17 1 0 0 0 25 6 1 0 0 0 26 18 1 0 0 0 27 21 1 0 0 0 28 33 2 0 0 0 29 18 2 0 0 0 30 16 2 0 0 0 31 16 1 0 0 0 32 27 1 0 0 0 33 29 1 0 0 0 34 31 2 0 0 0 35 30 1 0 0 0 36 34 1 0 0 0 23 21 1 0 0 0 5 8 1 0 0 0 15 28 1 0 0 0 35 36 2 0 0 0 M END > 8.39794000867204 > 6.70996538863748 $$$$ 11280715432D 1 1.00000 0.00000 0 33 35 0 0 0 999 V2000 -1.0583 1.5083 0.0000 S 0 0 3 0 0 0 0 0 0 -1.0625 0.6750 0.0000 N 0 0 3 0 0 0 0 0 0 -1.8125 0.3208 0.0000 C 0 0 3 0 0 0 0 0 0 -2.4500 0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6625 -1.1417 0.0000 N 0 0 3 0 0 0 0 0 0 -0.3125 -1.8875 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3208 0.3083 0.0000 C 0 0 0 0 0 0 0 0 0 -2.0000 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2250 1.5083 0.0000 C 0 0 0 0 0 0 0 0 0 -1.8875 1.5083 0.0000 O 0 0 0 0 0 0 0 0 0 -1.0625 2.3333 0.0000 O 0 0 0 0 0 0 0 0 0 2.2542 0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 2.6667 -0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1375 -0.5042 0.0000 C 0 0 0 0 0 0 0 0 0 -1.4958 -1.1292 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7875 -2.5667 0.0000 O 0 0 0 0 0 0 0 0 0 -2.4583 1.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0.5042 -1.9542 0.0000 C 0 0 0 0 0 0 0 0 0 -3.2000 0.4958 0.0000 N 0 0 0 0 0 0 0 0 0 0.1792 2.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0.1792 0.7833 0.0000 C 0 0 0 0 0 0 0 0 0 1.4250 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 1.0125 2.2208 0.0000 C 0 0 0 0 0 0 0 0 0 1.0125 0.7833 0.0000 C 0 0 0 0 0 0 0 0 0 -3.8958 0.9625 0.0000 O 0 0 0 0 0 0 0 0 0 2.6750 0.7833 0.0000 C 0 0 0 0 0 0 0 0 0 2.2542 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 3.0792 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0.8542 -2.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0.9750 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 1.8000 -1.3500 0.0000 C 0 0 0 0 0 0 0 0 0 1.6750 -2.7792 0.0000 C 0 0 0 0 0 0 0 0 0 2.1500 -2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 14 1 0 0 0 6 5 1 0 0 0 7 2 1 0 0 0 8 3 1 0 0 0 9 1 1 0 0 0 10 1 2 0 0 0 11 1 2 0 0 0 12 26 1 0 0 0 13 12 3 0 0 0 14 7 1 0 0 0 15 8 1 0 0 0 16 6 2 0 0 0 17 4 2 0 0 0 18 6 1 0 0 0 19 4 1 0 0 0 20 9 1 0 0 0 21 9 2 0 0 0 22 24 2 0 0 0 23 20 2 0 0 0 24 21 1 0 0 0 25 19 1 0 0 0 26 27 1 0 0 0 27 22 1 0 0 0 28 13 1 0 0 0 29 18 2 0 0 0 30 18 1 0 0 0 31 30 2 0 0 0 32 29 1 0 0 0 33 31 1 0 0 0 22 23 1 0 0 0 5 15 1 0 0 0 33 32 2 0 0 0 M END > 8.39794000867204 > 6.94692155651658 $$$$ 11280715122D 1 1.00000 0.00000 0 24 25 0 0 0 999 V2000 2.9792 0.8833 0.0000 S 0 0 3 0 0 0 0 0 0 1.5417 0.8708 0.0000 C 0 0 3 0 0 0 0 0 0 2.2542 1.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0.8250 1.2750 0.0000 C 0 0 0 0 0 0 0 0 0 3.7750 1.1083 0.0000 C 0 0 0 0 0 0 0 0 0 2.7667 0.0833 0.0000 O 0 0 0 0 0 0 0 0 0 3.1750 1.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0.8167 2.1000 0.0000 O 0 0 0 0 0 0 0 0 0 0.1167 0.8583 0.0000 N 0 0 0 0 0 0 0 0 0 1.5542 0.0500 0.0000 N 0 0 0 0 0 0 0 0 0 4.3667 0.5333 0.0000 C 0 0 0 0 0 0 0 0 0 3.9792 1.9083 0.0000 C 0 0 0 0 0 0 0 0 0 6.1542 1.7875 0.0000 O 0 0 0 0 0 0 0 0 0 5.3625 1.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0.8292 0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 4.7667 2.1333 0.0000 C 0 0 0 0 0 0 0 0 0 5.1625 0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 6.7500 1.2208 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6083 1.2583 0.0000 O 0 0 0 0 0 0 0 0 0 7.5375 1.4458 0.0000 C 0 0 0 0 0 0 0 0 0 6.5500 0.4208 0.0000 C 0 0 0 0 0 0 0 0 0 7.1417 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 8.1292 0.8833 0.0000 C 0 0 0 0 0 0 0 0 0 7.9292 0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 3 1 1 0 0 0 4 2 1 0 0 0 5 1 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 4 2 0 0 0 9 4 1 0 0 0 10 2 1 0 0 0 11 5 1 0 0 0 12 5 2 0 0 0 13 14 1 0 0 0 14 16 2 0 0 0 15 2 1 0 0 0 16 12 1 0 0 0 17 11 2 0 0 0 18 13 1 0 0 0 19 9 1 0 0 0 20 18 1 0 0 0 21 18 2 0 0 0 22 21 1 0 0 0 23 20 2 0 0 0 24 22 2 0 0 0 17 14 1 0 0 0 23 24 1 0 0 0 M END > 9.69897000433602 > 6.76955107862173 $$$$ 11280715072D 1 1.00000 0.00000 0 29 31 0 0 0 999 V2000 4.0250 -2.2500 0.0000 S 0 0 3 0 0 0 0 0 0 3.2375 -2.2542 0.0000 N 0 0 3 0 0 0 0 0 0 2.3375 -2.7750 0.0000 C 0 0 0 0 0 0 0 0 0 2.9375 -2.7750 0.0000 C 0 0 0 0 0 0 0 0 0 2.0292 -2.2542 0.0000 C 0 0 0 0 0 0 0 0 0 4.6250 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 3.9917 -1.5917 0.0000 O 0 0 0 0 0 0 0 0 0 4.0250 -2.9667 0.0000 O 0 0 0 0 0 0 0 0 0 2.9292 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 2.3667 -1.5917 0.0000 O 0 0 0 0 0 0 0 0 0 1.4292 -2.2542 0.0000 N 0 0 0 0 0 0 0 0 0 4.9167 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 4.9167 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 5.8167 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 2.0417 -3.2917 0.0000 C 0 0 0 0 0 0 0 0 0 3.2292 -1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 5.5167 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 5.5167 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 3.2375 -3.2917 0.0000 C 0 0 0 0 0 0 0 0 0 1.0875 -1.5625 0.0000 O 0 0 0 0 0 0 0 0 0 6.4167 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 2.9292 -0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 3.8292 -1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 6.7167 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 2.3375 -3.8042 0.0000 C 0 0 0 0 0 0 0 0 0 2.9375 -3.8042 0.0000 C 0 0 0 0 0 0 0 0 0 3.2292 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 4.1292 -0.6917 0.0000 C 0 0 0 0 0 0 0 0 0 3.8292 -0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 4 1 0 0 0 4 2 1 0 0 0 5 3 1 0 0 0 6 1 1 0 0 0 7 1 2 0 0 0 8 1 2 0 0 0 9 2 1 0 0 0 10 5 2 0 0 0 11 5 1 0 0 0 12 6 2 0 0 0 13 6 1 0 0 0 14 17 1 0 0 0 15 3 2 0 0 0 16 9 1 0 0 0 17 13 2 0 0 0 18 12 1 0 0 0 19 4 2 0 0 0 20 11 1 0 0 0 21 14 1 0 0 0 22 16 1 0 0 0 23 16 2 0 0 0 24 21 1 0 0 0 25 26 2 0 0 0 26 19 1 0 0 0 27 22 2 0 0 0 28 23 1 0 0 0 29 28 2 0 0 0 14 18 2 0 0 0 25 15 1 0 0 0 29 27 1 0 0 0 M END > 6.25570701687732 > 6.1944991418416 $$$$ CDK 5/12/10,14:52 28 30 0 0 0 0 0 0 0 0999 V2000 -2.5389 -0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5401 -1.6648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8253 -2.0777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1088 -1.6644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1117 -0.8338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8271 -0.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8295 0.4003 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.1163 0.8149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2500 1.1208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6333 0.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4027 0.4022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3100 0.8161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3080 1.6420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4127 2.0522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1225 1.6359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2535 -0.4251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9679 -0.8378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6824 -0.4255 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9677 -1.6628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3968 -0.8381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0194 2.0569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7359 1.6457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4481 2.0606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4450 2.8865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7237 3.2957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0145 2.8785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1571 3.3030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8739 2.8946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13 14 1 0 0 0 0 6 7 1 0 0 0 0 14 15 2 0 0 0 0 15 8 1 0 0 0 0 3 4 2 0 0 0 0 1 16 1 0 0 0 0 7 8 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 7 9 2 0 0 0 0 17 19 2 0 0 0 0 4 5 1 0 0 0 0 18 20 1 0 0 0 0 7 10 2 0 0 0 0 2 3 1 0 0 0 0 21 22 2 0 0 0 0 8 11 2 0 0 0 0 22 23 1 0 0 0 0 5 6 2 0 0 0 0 23 24 2 0 0 0 0 11 12 1 0 0 0 0 24 25 1 0 0 0 0 6 1 1 0 0 0 0 25 26 2 0 0 0 0 26 21 1 0 0 0 0 13 21 1 0 0 0 0 12 13 2 0 0 0 0 24 27 1 0 0 0 0 1 2 2 0 0 0 0 27 28 1 0 0 0 0 M END > 7.60205999132796 > 5.08092190762393 $$$$ SciTegic04021211102D 23 24 0 0 0 0 999 V2000 -2.3257 1.0696 0.0000 O 0 0 -1.5255 0.8540 0.0000 S 0 0 -1.7369 1.6553 0.0000 O 0 0 -2.2344 -0.3855 0.0000 C 0 0 2 0 0 0 -2.2344 -1.2105 0.0000 C 0 0 -1.5219 -1.6209 0.0000 N 0 0 -0.8094 -1.2105 0.0000 C 0 0 -0.8094 -0.3855 0.0000 C 0 0 -1.5219 0.0291 0.0000 N 0 0 -2.9489 -1.6261 0.0000 O 0 0 -0.0949 -1.6261 0.0000 O 0 0 -1.5219 -2.4458 0.0000 O 0 0 -2.9507 0.0228 0.0000 C 0 0 -2.9531 0.8478 0.0000 C 0 0 -3.6603 -0.3897 0.0000 C 0 0 -0.8124 1.2717 0.0000 C 0 0 -0.0969 0.8577 0.0000 C 0 0 0.6158 1.2748 0.0000 C 0 0 0.6125 2.1007 0.0000 C 0 0 -0.1093 2.5077 0.0000 C 0 0 -0.8190 2.0924 0.0000 C 0 0 1.3252 2.5152 0.0000 O 0 0 2.0383 2.1089 0.0000 C 0 0 6 12 1 0 2 1 2 0 4 13 1 1 4 9 1 0 13 14 1 0 5 6 1 0 13 15 1 0 9 2 1 0 6 7 1 0 2 16 1 0 7 8 1 0 16 17 2 0 8 9 1 0 17 18 1 0 3 2 2 0 18 19 2 0 5 10 2 0 19 20 1 0 4 5 1 0 20 21 2 0 21 16 1 0 7 11 2 0 19 22 1 0 22 23 1 0 M END > 6.52287874528034 > 5.30980391997149 $$$$ 11280715212D 1 1.00000 0.00000 0 27 29 0 0 0 999 V2000 -1.5625 1.5625 0.0000 S 0 0 3 0 0 0 0 0 0 -2.9958 1.5750 0.0000 C 0 0 3 0 0 0 0 0 0 -2.2833 1.9875 0.0000 N 0 0 0 0 0 0 0 0 0 -3.7125 1.9875 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8458 1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1375 2.2833 0.0000 O 0 0 0 0 0 0 0 0 0 -1.9875 0.8458 0.0000 O 0 0 0 0 0 0 0 0 0 -3.7125 2.8208 0.0000 O 0 0 0 0 0 0 0 0 0 -4.4250 1.5750 0.0000 N 0 0 0 0 0 0 0 0 0 2.0250 -2.1542 0.0000 N 0 0 0 0 0 0 0 0 0 -2.2833 1.1583 0.0000 C 0 0 0 0 0 0 0 0 0 -3.7208 1.1583 0.0000 C 0 0 0 0 0 0 0 0 0 -3.0000 -0.0875 0.0000 O 0 0 0 0 0 0 0 0 0 -0.8458 0.3083 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1333 1.5500 0.0000 C 0 0 0 0 0 0 0 0 0 1.3042 -0.1042 0.0000 O 0 0 0 0 0 0 0 0 0 0.5875 0.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0.5875 1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1333 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 1.3042 -0.9292 0.0000 C 0 0 0 0 0 0 0 0 0 -4.4250 0.7458 0.0000 O 0 0 0 0 0 0 0 0 0 2.0167 -1.3375 0.0000 C 0 0 0 0 0 0 0 0 0 -2.2833 0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 -3.7208 0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 1.3042 -2.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0.5917 -1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0.5917 -2.1625 0.0000 C 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 3 1 1 0 0 0 4 2 1 0 0 0 5 1 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 4 2 0 0 0 9 4 1 0 0 0 10 22 2 0 0 0 11 2 1 0 0 0 12 2 1 0 0 0 13 24 1 0 0 0 14 5 2 0 0 0 15 5 1 0 0 0 16 17 1 0 0 0 17 18 1 0 0 0 18 15 2 0 0 0 19 14 1 0 0 0 20 16 1 0 0 0 21 9 1 0 0 0 22 20 1 0 0 0 23 11 1 0 0 0 24 12 1 0 0 0 25 27 2 0 0 0 26 20 2 0 0 0 27 26 1 0 0 0 17 19 2 0 0 0 23 13 1 0 0 0 25 10 1 0 0 0 M END > 7.60205999132796 > 6.25963731050576 $$$$ 11280715312D 1 1.00000 0.00000 0 28 30 0 1 0 999 V2000 3.2167 -1.6167 0.0000 N 0 0 3 0 0 0 0 0 0 3.2167 -1.0167 0.0000 S 0 0 3 0 0 0 0 0 0 2.7375 -1.9667 0.0000 C 0 0 2 0 0 0 0 0 0 3.7042 -1.9667 0.0000 C 0 0 0 0 0 0 0 0 0 2.9167 -2.5417 0.0000 C 0 0 0 0 0 0 0 0 0 2.1667 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 3.5167 -2.5417 0.0000 C 0 0 2 0 0 0 0 0 0 3.8750 -3.0250 0.0000 N 0 0 3 0 0 0 0 0 0 3.7417 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 3.2125 -0.4167 0.0000 O 0 0 0 0 0 0 0 0 0 2.6375 -0.8542 0.0000 O 0 0 0 0 0 0 0 0 0 2.0417 -1.1917 0.0000 O 0 0 0 0 0 0 0 0 0 1.7167 -2.1792 0.0000 N 0 0 0 0 0 0 0 0 0 3.7417 -0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 4.2625 -1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 4.5750 -3.9917 0.0000 O 0 0 0 0 0 0 0 0 0 4.7792 -0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 4.2542 0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 4.7792 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 1.1500 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 3.6292 -3.5667 0.0000 C 0 0 0 0 0 0 0 0 0 4.4667 -2.9542 0.0000 C 0 0 0 0 0 0 0 0 0 5.3000 0.1833 0.0000 O 0 0 0 0 0 0 0 0 0 4.8167 -3.4417 0.0000 C 0 0 0 0 0 0 0 0 0 3.9792 -4.0542 0.0000 C 0 0 0 0 0 0 0 0 0 5.8167 -0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 6.3417 0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 6.8542 -0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 1 1 0 0 0 3 5 1 6 0 0 6 3 1 0 0 0 7 4 1 0 0 0 7 8 1 1 0 0 9 2 1 0 0 0 10 2 2 0 0 0 11 2 2 0 0 0 12 6 2 0 0 0 13 6 1 0 0 0 14 9 1 0 0 0 15 9 2 0 0 0 16 24 1 0 0 0 17 19 2 0 0 0 18 14 2 0 0 0 19 15 1 0 0 0 20 13 1 0 0 0 21 8 1 0 0 0 22 8 1 0 0 0 23 17 1 0 0 0 24 22 1 0 0 0 25 21 1 0 0 0 26 23 1 0 0 0 27 26 1 0 0 0 28 27 1 0 0 0 7 5 1 0 0 0 17 18 1 0 0 0 16 25 1 0 0 0 M END > 9 > 6.30980391997149 $$$$ 11280714592D 1 1.00000 0.00000 0 23 23 0 0 0 999 V2000 5.7042 -7.3292 0.0000 S 0 0 3 0 0 0 0 0 0 5.1792 -7.0292 0.0000 N 0 0 3 0 0 0 0 0 0 6.2167 -7.6292 0.0000 C 0 0 3 0 0 0 0 0 0 7.2667 -5.2167 0.0000 N 0 3 0 0 0 0 0 0 0 4.6542 -7.3292 0.0000 C 0 0 0 0 0 0 0 0 0 4.1292 -7.0292 0.0000 C 0 0 0 0 0 0 0 0 0 5.4000 -7.8542 0.0000 O 0 0 0 0 0 0 0 0 0 6.0125 -6.8167 0.0000 O 0 0 0 0 0 0 0 0 0 6.7500 -5.5167 0.0000 C 0 0 0 0 0 0 0 0 0 7.7917 -5.5167 0.0000 O 0 5 0 0 0 0 0 0 0 5.1792 -6.4250 0.0000 C 0 0 0 0 0 0 0 0 0 7.2667 -4.6125 0.0000 O 0 0 0 0 0 0 0 0 0 3.6125 -7.3292 0.0000 O 0 0 0 0 0 0 0 0 0 6.2167 -8.2375 0.0000 F 0 0 0 0 0 0 0 0 0 6.7417 -7.3250 0.0000 F 0 0 0 0 0 0 0 0 0 6.7417 -7.9292 0.0000 F 0 0 0 0 0 0 0 0 0 4.1292 -6.4250 0.0000 N 0 0 0 0 0 0 0 0 0 6.2167 -5.2167 0.0000 C 0 0 0 0 0 0 0 0 0 6.7500 -6.1167 0.0000 C 0 0 0 0 0 0 0 0 0 5.7042 -6.1167 0.0000 C 0 0 0 0 0 0 0 0 0 5.7042 -5.5167 0.0000 C 0 0 0 0 0 0 0 0 0 6.2292 -6.4250 0.0000 C 0 0 0 0 0 0 0 0 0 3.6125 -6.1167 0.0000 O 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 9 1 0 0 0 5 2 1 0 0 0 6 5 1 0 0 0 7 1 2 0 0 0 8 1 2 0 0 0 9 19 2 0 0 0 10 4 1 0 0 0 11 2 1 0 0 0 12 4 2 0 0 0 13 6 2 0 0 0 14 3 1 0 0 0 15 3 1 0 0 0 16 3 1 0 0 0 17 6 1 0 0 0 18 21 2 0 0 0 19 22 1 0 0 0 20 11 1 0 0 0 21 20 1 0 0 0 22 20 2 0 0 0 23 17 1 0 0 0 9 18 1 0 0 0 M CHG 2 4 1 10 -1 M END > 7.13667713987954 > 7.67778070526608 $$$$ 11280714592D 1 1.00000 0.00000 0 38 40 0 0 0 999 V2000 7.6417 -8.2792 0.0000 S 0 0 3 0 0 0 0 0 0 5.0500 -5.5792 0.0000 S 0 0 3 0 0 0 0 0 0 7.6417 -7.6750 0.0000 N 0 0 0 0 0 0 0 0 0 4.5250 -5.2750 0.0000 N 0 0 3 0 0 0 0 0 0 6.6125 -3.4625 0.0000 N 0 3 0 0 0 0 0 0 0 7.1250 -7.3750 0.0000 C 0 0 0 0 0 0 0 0 0 4.0042 -5.5792 0.0000 C 0 0 0 0 0 0 0 0 0 7.6417 -8.8792 0.0000 C 0 0 0 0 0 0 0 0 0 5.5667 -5.8750 0.0000 C 0 0 0 0 0 0 0 0 0 8.2500 -8.2792 0.0000 O 0 0 0 0 0 0 0 0 0 7.0417 -8.2792 0.0000 O 0 0 0 0 0 0 0 0 0 3.4792 -5.2750 0.0000 C 0 0 0 0 0 0 0 0 0 4.7417 -6.0917 0.0000 O 0 0 0 0 0 0 0 0 0 5.3542 -5.0542 0.0000 O 0 0 0 0 0 0 0 0 0 6.0917 -3.7667 0.0000 C 0 0 0 0 0 0 0 0 0 7.1167 -6.7667 0.0000 N 0 0 0 0 0 0 0 0 0 7.1417 -3.7667 0.0000 O 0 5 0 0 0 0 0 0 0 4.5250 -4.6667 0.0000 C 0 0 0 0 0 0 0 0 0 6.6125 -2.8542 0.0000 O 0 0 0 0 0 0 0 0 0 6.6000 -7.6792 0.0000 O 0 0 0 0 0 0 0 0 0 8.1625 -9.1792 0.0000 C 0 0 0 0 0 0 0 0 0 2.9542 -5.5792 0.0000 O 0 0 0 0 0 0 0 0 0 6.0792 -5.5750 0.0000 C 0 0 0 0 0 0 0 0 0 5.5667 -6.4667 0.0000 C 0 0 0 0 0 0 0 0 0 6.0917 -4.3667 0.0000 C 0 0 0 0 0 0 0 0 0 5.5667 -3.4625 0.0000 C 0 0 0 0 0 0 0 0 0 6.5917 -6.4667 0.0000 C 0 0 0 0 0 0 0 0 0 5.0500 -4.3667 0.0000 C 0 0 0 0 0 0 0 0 0 3.4792 -4.6667 0.0000 O 0 0 0 0 0 0 0 0 0 6.0792 -6.7667 0.0000 C 0 0 0 0 0 0 0 0 0 6.5917 -5.8667 0.0000 C 0 0 0 0 0 0 0 0 0 5.0500 -3.7667 0.0000 C 0 0 0 0 0 0 0 0 0 5.5667 -4.6667 0.0000 C 0 0 0 0 0 0 0 0 0 7.1167 -9.1792 0.0000 C 0 0 0 0 0 0 0 0 0 8.6875 -8.8792 0.0000 C 0 0 0 0 0 0 0 0 0 8.1542 -9.7792 0.0000 C 0 0 0 0 0 0 0 0 0 7.1125 -9.7792 0.0000 C 0 0 0 0 0 0 0 0 0 7.6292 -10.0792 0.0000 C 0 0 0 0 0 0 0 0 0 2 9 1 0 0 0 3 1 1 0 0 0 4 2 1 0 0 0 5 15 1 0 0 0 6 3 1 0 0 0 7 4 1 0 0 0 8 1 1 0 0 0 9 23 1 0 0 0 10 1 2 0 0 0 11 1 2 0 0 0 12 7 1 0 0 0 13 2 2 0 0 0 14 2 2 0 0 0 15 25 2 0 0 0 16 6 1 0 0 0 17 5 1 0 0 0 18 4 1 0 0 0 19 5 2 0 0 0 20 6 2 0 0 0 21 8 1 0 0 0 22 12 2 0 0 0 23 31 2 0 0 0 24 30 1 0 0 0 25 33 1 0 0 0 26 32 2 0 0 0 27 16 1 0 0 0 28 18 1 0 0 0 29 12 1 0 0 0 30 27 2 0 0 0 31 27 1 0 0 0 32 28 1 0 0 0 33 28 2 0 0 0 34 8 2 0 0 0 35 21 1 0 0 0 36 21 2 0 0 0 37 34 1 0 0 0 38 37 2 0 0 0 36 38 1 0 0 0 9 24 2 0 0 0 15 26 1 0 0 0 M CHG 2 5 1 17 -1 M END > 7.44369749923271 > 7.44369749923271 $$$$ 05080814032D 1 1.00000 0.00000 0 34 38 0 1 0 999 V2000 14.5620 -6.7642 0.0000 C 0 0 2 0 0 0 0 0 0 15.3072 -7.1093 0.0000 N 0 0 0 0 0 0 0 0 0 15.8660 -6.4965 0.0000 C 0 0 0 0 0 0 0 0 0 15.4552 -5.7876 0.0000 N 0 0 0 0 0 0 0 0 0 14.6431 -5.9600 0.0000 C 0 0 0 0 0 0 0 0 0 13.8468 -6.3520 0.0000 C 0 0 0 0 0 0 0 0 0 13.1317 -6.7623 0.0000 C 0 0 0 0 0 0 0 0 0 13.1317 -7.5873 0.0000 C 0 0 0 0 0 0 0 0 0 13.8430 -7.9971 0.0000 C 0 0 0 0 0 0 0 0 0 14.5412 -7.5931 0.0000 C 0 0 1 0 0 0 0 0 0 15.2587 -8.0090 0.0000 C 0 0 0 0 0 0 0 0 0 16.6778 -6.5945 0.0000 O 0 0 0 0 0 0 0 0 0 14.0659 -5.3787 0.0000 O 0 0 0 0 0 0 0 0 0 15.2587 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9 1 0 0 0 9 10 1 0 0 0 10 1 1 0 0 0 10 11 1 6 0 0 3 12 2 0 0 0 5 13 2 0 0 0 11 14 1 0 0 0 11 15 2 0 0 0 16 17 2 0 0 0 17 18 1 0 0 0 18 19 2 0 0 0 19 20 1 0 0 0 20 21 2 0 0 0 21 16 1 0 0 0 19 22 1 0 0 0 22 23 1 0 0 0 23 24 1 0 0 0 24 29 2 0 0 0 28 25 2 0 0 0 25 26 1 0 0 0 26 27 2 0 0 0 27 24 1 0 0 0 28 29 1 0 0 0 29 30 1 0 0 0 30 31 2 0 0 0 31 32 1 0 0 0 32 33 2 0 0 0 33 28 1 0 0 0 26 34 1 0 0 0 14 16 1 0 0 0 M END > 6.40671393297954 > 6.00524305541237 $$$$ 11280715002D 1 1.00000 0.00000 0 38 40 0 0 0 999 V2000 7.8292 -7.2125 0.0000 S 0 0 3 0 0 0 0 0 0 4.2042 -7.2250 0.0000 S 0 0 3 0 0 0 0 0 0 7.2625 -7.0167 0.0000 N 0 0 0 0 0 0 0 0 0 3.7000 -6.9250 0.0000 N 0 0 3 0 0 0 0 0 0 5.7542 -5.1375 0.0000 N 0 3 0 0 0 0 0 0 0 6.8125 -7.4000 0.0000 C 0 0 0 0 0 0 0 0 0 4.7250 -7.5125 0.0000 C 0 0 0 0 0 0 0 0 0 3.1750 -7.2250 0.0000 C 0 0 0 0 0 0 0 0 0 8.3875 -7.4042 0.0000 C 0 0 0 0 0 0 0 0 0 7.6292 -7.7750 0.0000 O 0 0 0 0 0 0 0 0 0 8.0250 -6.6417 0.0000 O 0 0 0 0 0 0 0 0 0 3.9042 -7.7375 0.0000 O 0 0 0 0 0 0 0 0 0 4.5167 -6.7042 0.0000 O 0 0 0 0 0 0 0 0 0 2.6542 -6.9250 0.0000 C 0 0 0 0 0 0 0 0 0 5.2250 -7.2167 0.0000 C 0 0 0 0 0 0 0 0 0 5.2417 -5.4375 0.0000 C 0 0 0 0 0 0 0 0 0 6.2500 -7.2125 0.0000 N 0 0 0 0 0 0 0 0 0 6.2750 -5.4375 0.0000 O 0 5 0 0 0 0 0 0 0 3.7000 -6.3292 0.0000 C 0 0 0 0 0 0 0 0 0 5.7542 -4.5417 0.0000 O 0 0 0 0 0 0 0 0 0 5.7292 -7.5125 0.0000 C 0 0 0 0 0 0 0 0 0 6.8125 -7.9417 0.0000 O 0 0 0 0 0 0 0 0 0 8.8375 -7.0250 0.0000 C 0 0 0 0 0 0 0 0 0 2.1417 -7.2250 0.0000 O 0 0 0 0 0 0 0 0 0 4.7250 -5.1375 0.0000 C 0 0 0 0 0 0 0 0 0 5.2417 -6.0292 0.0000 C 0 0 0 0 0 0 0 0 0 4.2042 -6.0292 0.0000 C 0 0 0 0 0 0 0 0 0 2.6542 -6.3292 0.0000 O 0 0 0 0 0 0 0 0 0 4.2042 -5.4375 0.0000 C 0 0 0 0 0 0 0 0 0 4.7292 -6.3292 0.0000 C 0 0 0 0 0 0 0 0 0 4.7167 -8.1042 0.0000 C 0 0 0 0 0 0 0 0 0 8.4917 -7.9917 0.0000 C 0 0 0 0 0 0 0 0 0 5.2250 -8.3917 0.0000 C 0 0 0 0 0 0 0 0 0 5.7292 -8.1042 0.0000 C 0 0 0 0 0 0 0 0 0 8.7250 -6.4292 0.0000 C 0 0 0 0 0 0 0 0 0 9.3917 -7.2167 0.0000 C 0 0 0 0 0 0 0 0 0 9.0500 -8.1917 0.0000 C 0 0 0 0 0 0 0 0 0 9.5042 -7.8042 0.0000 C 0 0 0 0 0 0 0 0 0 2 7 1 0 0 0 3 1 1 0 0 0 4 2 1 0 0 0 5 16 1 0 0 0 6 3 1 0 0 0 7 15 1 0 0 0 8 4 1 0 0 0 9 1 1 0 0 0 10 1 2 0 0 0 11 1 2 0 0 0 12 2 2 0 0 0 13 2 2 0 0 0 14 8 1 0 0 0 15 21 2 0 0 0 16 26 2 0 0 0 17 6 1 0 0 0 18 5 1 0 0 0 19 4 1 0 0 0 20 5 2 0 0 0 21 17 1 0 0 0 22 6 2 0 0 0 23 9 1 0 0 0 24 14 2 0 0 0 25 29 2 0 0 0 26 30 1 0 0 0 27 19 1 0 0 0 28 14 1 0 0 0 29 27 1 0 0 0 30 27 2 0 0 0 31 33 1 0 0 0 32 9 2 0 0 0 33 34 2 0 0 0 34 21 1 0 0 0 35 23 1 0 0 0 36 23 2 0 0 0 37 32 1 0 0 0 38 37 2 0 0 0 36 38 1 0 0 0 7 31 2 0 0 0 25 16 1 0 0 0 M CHG 2 5 1 18 -1 M END > 7.4089353929735 > 7.4089353929735 $$$$ 11280715292D 1 1.00000 0.00000 0 27 28 0 1 0 999 V2000 5.3250 -7.9167 0.0000 S 0 0 3 0 0 0 0 0 0 5.3167 -8.7417 0.0000 N 0 0 3 0 0 0 0 0 0 4.5667 -9.0917 0.0000 C 0 0 1 0 0 0 0 0 0 3.9292 -8.5750 0.0000 C 0 0 0 0 0 0 0 0 0 4.3667 -9.9042 0.0000 C 0 0 3 0 0 0 0 0 0 5.3250 -7.0917 0.0000 C 0 0 0 0 0 0 0 0 0 4.5000 -7.9125 0.0000 O 0 0 0 0 0 0 0 0 0 6.1500 -7.9167 0.0000 O 0 0 0 0 0 0 0 0 0 4.9292 -10.5750 0.0000 S 0 0 0 0 0 0 0 0 0 3.9250 -7.7500 0.0000 O 0 0 0 0 0 0 0 0 0 3.1875 -8.9250 0.0000 N 0 0 0 0 0 0 0 0 0 6.0625 -9.1125 0.0000 C 0 0 0 0 0 0 0 0 0 6.0375 -6.6750 0.0000 C 0 0 0 0 0 0 0 0 0 4.6000 -6.6917 0.0000 C 0 0 0 0 0 0 0 0 0 5.3042 -5.4375 0.0000 C 0 0 0 0 0 0 0 0 0 4.5917 -5.8667 0.0000 C 0 0 0 0 0 0 0 0 0 6.0292 -5.8500 0.0000 C 0 0 0 0 0 0 0 0 0 2.5042 -8.4625 0.0000 O 0 0 0 0 0 0 0 0 0 6.2292 -9.9167 0.0000 C 0 0 0 0 0 0 0 0 0 5.7125 -10.5667 0.0000 C 0 0 0 0 0 0 0 0 0 5.3000 -4.6125 0.0000 O 0 0 0 0 0 0 0 0 0 3.5667 -9.6792 0.0000 C 0 0 0 0 0 0 0 0 0 3.7875 -10.4792 0.0000 C 0 0 0 0 0 0 0 0 0 6.7167 -2.9542 0.0000 O 0 0 0 0 0 0 0 0 0 6.0125 -4.1917 0.0000 C 0 0 0 0 0 0 0 0 0 6.0042 -3.3750 0.0000 C 0 0 0 0 0 0 0 0 0 6.7042 -2.1292 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 3 4 1 6 0 0 5 3 1 0 0 0 6 1 1 0 0 0 7 1 2 0 0 0 8 1 2 0 0 0 9 5 1 0 0 0 10 4 2 0 0 0 11 4 1 0 0 0 12 2 1 0 0 0 13 6 2 0 0 0 14 6 1 0 0 0 15 16 1 0 0 0 16 14 2 0 0 0 17 13 1 0 0 0 18 11 1 0 0 0 19 12 1 0 0 0 20 19 1 0 0 0 21 15 1 0 0 0 22 5 1 0 0 0 23 5 1 0 0 0 24 26 1 0 0 0 25 21 1 0 0 0 26 25 1 0 0 0 27 24 1 0 0 0 15 17 2 0 0 0 20 9 1 0 0 0 M END > 8.2518119729938 > 7.3767507096021 $$$$ SciTegic11161115462D 34 36 0 0 0 0 999 V2000 17.5155 -26.0461 0.0000 C 0 0 16.7993 -26.4576 0.0000 C 0 0 16.7975 -27.2790 0.0000 C 0 0 17.5102 -27.6952 0.0000 N 0 0 18.2264 -27.2837 0.0000 C 0 0 18.2299 -26.4561 0.0000 C 0 0 18.2298 -25.6335 0.0000 S 0 0 18.6422 -24.9189 0.0000 O 0 0 17.8172 -24.9191 0.0000 O 0 0 18.9444 -26.0458 0.0000 C 0 0 18.9432 -26.8732 0.0000 C 0 0 19.6581 -27.2860 0.0000 C 0 0 20.3745 -26.8727 0.0000 C 0 0 20.3716 -26.0422 0.0000 C 0 0 19.6563 -25.6330 0.0000 C 0 0 21.0896 -27.2841 0.0000 O 0 0 16.8009 -25.6338 0.0000 C 0 0 16.8007 -24.8088 0.0000 O 0 0 16.0865 -26.0465 0.0000 N 0 0 15.3719 -25.6341 0.0000 O 0 0 21.8034 -26.8704 0.0000 C 0 0 22.5152 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0 0 5.3292 -1.7750 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 2 1 0 0 0 6 9 1 0 0 0 3 7 1 6 0 0 8 1 1 0 0 0 10 9 1 1 0 0 10 5 1 0 0 0 11 1 2 0 0 0 12 1 2 0 0 0 13 4 2 0 0 0 14 6 2 0 0 0 15 4 1 0 0 0 16 6 1 0 0 0 17 8 2 0 0 0 18 8 1 0 0 0 19 20 1 0 0 0 20 18 2 0 0 0 21 17 1 0 0 0 22 15 1 0 0 0 16 23 1 6 0 0 24 19 1 0 0 0 25 16 1 0 0 0 26 24 1 0 0 0 27 26 1 0 0 0 28 27 1 0 0 0 29 28 1 0 0 0 19 21 2 0 0 0 10 7 1 0 0 0 M END > 9.04575749056067 > 5.92081875395237 $$$$ 11280715452D 1 1.00000 0.00000 0 29 31 0 1 0 999 V2000 3.7292 -2.4292 0.0000 S 0 0 3 0 0 0 0 0 0 3.7292 -1.6042 0.0000 N 0 0 3 0 0 0 0 0 0 4.4417 -1.2042 0.0000 C 0 0 1 0 0 0 0 0 0 5.1542 -1.6167 0.0000 C 0 0 0 0 0 0 0 0 0 3.7250 -3.2542 0.0000 C 0 0 0 0 0 0 0 0 0 4.4417 -0.3792 0.0000 C 0 0 2 0 0 0 0 0 0 4.5542 -2.4292 0.0000 O 0 0 0 0 0 0 0 0 0 2.9042 -2.4292 0.0000 O 0 0 0 0 0 0 0 0 0 5.2542 -4.9167 0.0000 N 0 0 0 0 0 0 0 0 0 5.5625 -2.3292 0.0000 O 0 0 0 0 0 0 0 0 0 5.1250 -5.7292 0.0000 C 0 0 0 0 0 0 0 0 0 5.8667 -1.1917 0.0000 N 0 0 0 0 0 0 0 0 0 6.5375 -5.9417 0.0000 N 0 0 0 0 0 0 0 0 0 3.0250 -1.2042 0.0000 C 0 0 0 0 0 0 0 0 0 4.4292 -3.6667 0.0000 C 0 0 0 0 0 0 0 0 0 3.0042 -3.6542 0.0000 C 0 0 0 0 0 0 0 0 0 3.7000 -5.7292 0.0000 O 0 0 0 0 0 0 0 0 0 3.7042 -4.9042 0.0000 C 0 0 0 0 0 0 0 0 0 4.4125 -6.1417 0.0000 C 0 0 0 0 0 0 0 0 0 4.4375 0.4458 0.0000 O 0 0 0 0 0 0 0 0 0 4.4250 -4.4917 0.0000 C 0 0 0 0 0 0 0 0 0 3.0000 -4.4792 0.0000 C 0 0 0 0 0 0 0 0 0 6.5792 -1.6042 0.0000 O 0 0 0 0 0 0 0 0 0 5.7667 -6.2417 0.0000 C 0 0 0 0 0 0 0 0 0 3.7292 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 3.0250 -0.3792 0.0000 C 0 0 0 0 0 0 0 0 0 5.2375 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 6.0250 -4.6167 0.0000 C 0 0 0 0 0 0 0 0 0 6.6625 -5.1292 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 3 4 1 6 0 0 5 1 1 0 0 0 6 3 1 0 0 0 7 1 2 0 0 0 8 1 2 0 0 0 9 11 1 0 0 0 10 4 2 0 0 0 11 19 1 0 0 0 12 4 1 0 0 0 13 24 1 0 0 0 14 2 1 0 0 0 15 5 1 0 0 0 16 5 2 0 0 0 17 18 1 0 0 0 18 22 2 0 0 0 19 17 1 0 0 0 6 20 1 1 0 0 21 15 2 0 0 0 22 16 1 0 0 0 23 12 1 0 0 0 24 11 2 0 0 0 25 26 1 0 0 0 26 14 1 0 0 0 6 27 1 6 0 0 28 9 2 0 0 0 29 13 2 0 0 0 21 18 1 0 0 0 25 6 1 0 0 0 29 28 1 0 0 0 M END > 8.13076828026902 > 5.79588001734407 $$$$ 11280715202D 1 1.00000 0.00000 0 27 29 0 1 0 999 V2000 8.4375 -2.9792 0.0000 S 0 0 3 0 0 0 0 0 0 8.8417 -3.6917 0.0000 C 0 0 0 0 0 0 0 0 0 3.9042 -0.8125 0.0000 N 0 0 0 0 0 0 0 0 0 5.1417 -1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 5.9667 -1.5375 0.0000 N 0 0 0 0 0 0 0 0 0 4.7292 -0.8167 0.0000 N 0 0 0 0 0 0 0 0 0 7.6125 -2.9750 0.0000 N 0 0 0 0 0 0 0 0 0 6.3792 -2.2542 0.0000 C 0 0 0 0 0 0 0 0 0 7.2042 -2.2542 0.0000 C 0 0 2 0 0 0 0 0 0 3.4917 -1.5167 0.0000 C 0 0 0 0 0 0 0 0 0 4.7250 -2.2417 0.0000 S 0 0 0 0 0 0 0 0 0 9.6667 -3.7875 0.0000 S 0 0 0 0 0 0 0 0 0 9.2625 -2.9750 0.0000 O 0 0 0 0 0 0 0 0 0 8.4292 -2.1500 0.0000 O 0 0 0 0 0 0 0 0 0 2.6667 -1.5167 0.0000 C 0 0 0 0 0 0 0 0 0 3.9042 -2.2417 0.0000 C 0 0 0 0 0 0 0 0 0 8.5042 -4.4417 0.0000 C 0 0 0 0 0 0 0 0 0 5.9625 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20 21 1 0 29 30 2 0 14 19 1 0 36 1 1 0 M END > 9.69897000433602 > 5.2518119729938 $$$$ 05140812122D 1 1.00000 0.00000 0 35 37 0 1 0 999 V2000 3.5042 -26.2125 0.0000 C 0 0 0 0 0 0 0 0 0 3.5042 -27.0375 0.0000 C 0 0 0 0 0 0 0 0 0 4.2162 -27.4458 0.0000 N 0 0 3 0 0 0 0 0 0 4.9282 -27.0375 0.0000 C 0 0 0 0 0 0 0 0 0 4.9282 -26.2125 0.0000 C 0 0 0 0 0 0 0 0 0 4.2162 -25.7958 0.0000 C 0 0 3 0 0 0 0 0 0 4.2162 -28.2708 0.0000 C 0 0 0 0 0 0 0 0 0 3.5017 -28.6833 0.0000 O 0 0 0 0 0 0 0 0 0 4.9307 -28.6833 0.0000 O 0 0 0 0 0 0 0 0 0 4.2162 -24.9708 0.0000 C 0 0 2 0 0 0 0 0 0 4.9307 -24.5583 0.0000 N 0 0 0 0 0 0 0 0 0 3.5017 -24.5583 0.0000 C 0 0 0 0 0 0 0 0 0 3.5012 -23.7336 0.0000 O 0 0 0 0 0 0 0 0 0 2.7867 -24.9711 0.0000 O 0 0 0 0 0 0 0 0 0 5.6451 -24.9708 0.0000 S 0 0 3 0 0 0 0 0 0 6.3542 -25.3792 0.0000 C 0 0 0 0 0 0 0 0 0 5.2330 -25.6855 0.0000 O 0 0 0 0 0 0 0 0 0 6.0631 -24.2596 0.0000 O 0 0 0 0 0 0 0 0 0 6.3523 -26.1984 0.0000 C 0 0 0 0 0 0 0 0 0 7.0605 -26.6067 0.0000 C 0 0 0 0 0 0 0 0 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0 0 0 3.5750 -5.5167 0.0000 O 0 0 0 0 0 0 0 0 0 8.3125 -5.6750 0.0000 O 0 0 0 0 0 0 0 0 0 9.0292 -2.3625 0.0000 O 0 0 0 0 0 0 0 0 0 8.9375 -6.2042 0.0000 C 0 0 0 0 0 0 0 0 0 9.6625 -2.8917 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 2 1 0 0 0 3 6 1 6 0 0 7 1 1 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 5 1 0 0 0 11 4 2 0 0 0 12 4 1 0 0 0 13 7 2 0 0 0 14 7 1 0 0 0 10 15 1 0 0 0 16 18 1 0 0 0 17 13 1 0 0 0 18 14 2 0 0 0 19 12 1 0 0 0 20 15 1 0 0 0 21 16 1 0 0 0 22 20 1 0 0 0 23 21 1 0 0 0 16 17 2 0 0 0 10 6 1 0 0 0 M END > 8.52287874528034 > 6.67366413907125 $$$$ CDK 9/16/09,9:58 35 37 0 0 0 0 0 0 0 0999 V2000 -3.8547 -8.2686 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8547 -9.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1401 -9.5106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4212 -9.0981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4212 -8.2686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1401 -7.8514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5702 -7.8577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5721 -7.0327 0.0000 O 0 0 0 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0 0 0 2.5570 -11.1630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5534 -11.9870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2664 -12.4006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9825 -11.9891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9812 -11.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2676 -10.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6969 -12.4018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 4 18 1 0 0 0 0 7 9 1 0 0 0 0 18 19 1 0 0 0 0 2 3 1 0 0 0 0 18 20 2 0 0 0 0 2 10 1 1 0 0 0 18 21 2 0 0 0 0 3 4 1 0 0 0 0 19 22 2 0 0 0 0 3 11 1 6 0 0 0 22 23 1 0 0 0 0 4 5 1 0 0 0 0 23 24 2 0 0 0 0 11 12 2 0 0 0 0 24 25 1 0 0 0 0 5 6 1 0 0 0 0 25 26 2 0 0 0 0 26 19 1 0 0 0 0 11 13 1 0 0 0 0 24 27 1 0 0 0 0 27 28 1 0 0 0 0 13 14 1 0 0 0 0 28 29 1 0 0 0 0 1 7 1 0 0 0 0 29 30 2 0 0 0 0 14 15 1 0 0 0 0 30 31 1 0 0 0 0 1 2 1 0 0 0 0 31 32 2 0 0 0 0 15 16 1 0 0 0 0 32 33 1 0 0 0 0 7 8 2 0 0 0 0 33 34 2 0 0 0 0 34 29 1 0 0 0 0 16 17 2 0 0 0 0 32 35 1 0 0 0 0 M END > 8.52287874528034 > 5.79588001734407 $$$$ 11280714572D 1 1.00000 0.00000 0 30 31 0 1 0 999 V2000 3.6917 -4.1542 0.0000 S 0 0 3 0 0 0 0 0 0 4.4042 -4.5667 0.0000 N 0 0 3 0 0 0 0 0 0 5.1167 -4.1542 0.0000 C 0 0 2 0 0 0 0 0 0 5.8375 -4.5667 0.0000 C 0 0 0 0 0 0 0 0 0 3.6917 -3.3292 0.0000 C 0 0 0 0 0 0 0 0 0 2.9750 -3.7417 0.0000 O 0 0 0 0 0 0 0 0 0 3.1000 -4.7417 0.0000 O 0 0 0 0 0 0 0 0 0 4.4042 -5.3917 0.0000 C 0 0 0 0 0 0 0 0 0 5.8375 -5.3917 0.0000 O 0 0 0 0 0 0 0 0 0 3.6917 -1.6792 0.0000 C 0 0 0 0 0 0 0 0 0 6.5500 -4.1542 0.0000 N 0 0 0 0 0 0 0 0 0 2.9792 -2.9167 0.0000 C 0 0 0 0 0 0 0 0 0 4.4042 -2.9167 0.0000 C 0 0 0 0 0 0 0 0 0 2.9792 -2.0917 0.0000 C 0 0 0 0 0 0 0 0 0 4.4042 -2.0917 0.0000 C 0 0 0 0 0 0 0 0 0 5.1167 -3.3292 0.0000 C 0 0 0 0 0 0 0 0 0 3.6875 -0.8542 0.0000 C 0 0 0 0 0 0 0 0 0 5.8375 -2.0917 0.0000 S 0 0 0 0 0 0 0 0 0 7.2667 -4.5667 0.0000 O 0 0 0 0 0 0 0 0 0 3.6917 -5.8042 0.0000 C 0 0 3 0 0 0 0 0 0 5.8375 -2.9167 0.0000 C 0 0 0 0 0 0 0 0 0 2.9750 -0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 4.4000 -0.4417 0.0000 C 0 0 0 0 0 0 0 0 0 6.5500 -1.6792 0.0000 C 0 0 0 0 0 0 0 0 0 2.9792 -5.3917 0.0000 C 0 0 0 0 0 0 0 0 0 3.6917 -6.6292 0.0000 C 0 0 0 0 0 0 0 0 0 2.9667 0.3708 0.0000 C 0 0 0 0 0 0 0 0 0 4.4000 0.3833 0.0000 C 0 0 0 0 0 0 0 0 0 3.6792 0.7958 0.0000 C 0 0 0 0 0 0 0 0 0 5.8292 -3.7417 0.0000 H 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 1 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 2 1 0 0 0 9 4 2 0 0 0 10 15 2 0 0 0 11 4 1 0 0 0 12 5 1 0 0 0 13 5 2 0 0 0 14 12 2 0 0 0 15 13 1 0 0 0 16 3 1 0 0 0 17 10 1 0 0 0 18 21 1 0 0 0 19 11 1 0 0 0 20 8 1 0 0 0 21 16 1 0 0 0 22 17 1 0 0 0 23 17 2 0 0 0 24 18 1 0 0 0 25 20 1 0 0 0 26 20 1 0 0 0 27 22 2 0 0 0 28 23 1 0 0 0 29 28 2 0 0 0 3 30 1 6 0 0 10 14 1 0 0 0 29 27 1 0 0 0 M END > 8.52287874528034 > 6.80687540164554 $$$$ 11280715482D 1 1.00000 0.00000 0 24 25 0 0 0 999 V2000 3.3667 -1.1125 0.0000 S 0 0 3 0 0 0 0 0 0 2.5417 -1.1542 0.0000 N 0 0 3 0 0 0 0 0 0 2.1000 -0.4542 0.0000 C 0 0 3 0 0 0 0 0 0 2.4792 0.2750 0.0000 C 0 0 0 0 0 0 0 0 0 4.1917 -1.0750 0.0000 C 0 0 0 0 0 0 0 0 0 3.3667 -0.2875 0.0000 O 0 0 0 0 0 0 0 0 0 3.3667 -1.9375 0.0000 O 0 0 0 0 0 0 0 0 0 6.7375 -2.3792 0.0000 C 0 0 0 0 0 0 0 0 0 6.3167 -3.0917 0.0000 C 0 0 0 0 0 0 0 0 0 3.2750 0.4958 0.0000 O 0 0 0 0 0 0 0 0 0 2.1667 -1.8792 0.0000 C 0 0 0 0 0 0 0 0 0 1.9625 0.9208 0.0000 N 0 0 0 0 0 0 0 0 0 0.9000 -1.2250 0.0000 O 0 0 0 0 0 0 0 0 0 4.5750 -0.3417 0.0000 C 0 0 0 0 0 0 0 0 0 4.6375 -1.7667 0.0000 C 0 0 0 0 0 0 0 0 0 1.2792 -0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 5.8417 -0.9917 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 5.4625 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 2.2542 1.6875 0.0000 O 0 0 0 0 0 0 0 0 0 7.1167 -1.6417 0.0000 C 0 0 0 0 0 0 0 0 0 6.6667 -0.9542 0.0000 O 0 0 0 0 0 0 0 0 0 1.3417 -1.9167 0.0000 C 0 0 0 0 0 0 0 0 0 5.9042 -3.8042 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 1 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 21 1 0 0 0 9 8 3 0 0 0 10 4 2 0 0 0 11 2 1 0 0 0 12 4 1 0 0 0 13 23 1 0 0 0 14 5 2 0 0 0 15 5 1 0 0 0 16 3 1 0 0 0 17 19 1 0 0 0 18 14 1 0 0 0 19 15 2 0 0 0 20 12 1 0 0 0 21 22 1 0 0 0 22 17 1 0 0 0 23 11 1 0 0 0 24 9 1 0 0 0 17 18 2 0 0 0 16 13 1 0 0 0 M END > 7.58502665202918 > 6.79048498545737 $$$$ 11280714482D 1 1.00000 0.00000 0 18 19 0 1 0 999 V2000 2.8917 -2.1167 0.0000 C 0 0 0 0 0 0 0 0 0 2.0792 -2.2917 0.0000 N 0 0 0 0 0 0 0 0 0 2.0042 -3.1167 0.0000 C 0 0 1 0 0 0 0 0 0 3.3042 -2.8417 0.0000 C 0 0 1 0 0 0 0 0 0 1.2792 -3.5292 0.0000 C 0 0 0 0 0 0 0 0 0 2.7542 -3.4542 0.0000 C 0 0 0 0 0 0 0 0 0 4.1250 -2.9292 0.0000 C 0 0 0 0 0 0 0 0 0 3.2292 -1.3667 0.0000 O 0 0 0 0 0 0 0 0 0 1.2792 -4.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0.5667 -3.1167 0.0000 N 0 0 0 0 0 0 0 0 0 4.6042 -2.2542 0.0000 C 0 0 0 0 0 0 0 0 0 4.4542 -3.6917 0.0000 C 0 0 0 0 0 0 0 0 0 5.7667 -3.1042 0.0000 C 0 0 0 0 0 0 0 0 0 5.2792 -3.7792 0.0000 C 0 0 0 0 0 0 0 0 0 5.4250 -2.3417 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1458 -3.5292 0.0000 O 0 0 0 0 0 0 0 0 0 6.5917 -3.1875 0.0000 O 0 0 0 0 0 0 0 0 0 6.9292 -3.9417 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 1 1 0 0 0 3 5 1 6 0 0 6 4 1 0 0 0 4 7 1 6 0 0 8 1 2 0 0 0 9 5 2 0 0 0 10 5 1 0 0 0 11 7 1 0 0 0 12 7 2 0 0 0 13 14 2 0 0 0 14 12 1 0 0 0 15 11 2 0 0 0 16 10 1 0 0 0 17 13 1 0 0 0 18 17 1 0 0 0 3 6 1 0 0 0 13 15 1 0 0 0 M END > 5.82973828460504 > 5.09474395125155 $$$$ 11280715132D 1 1.00000 0.00000 0 27 28 0 0 0 999 V2000 6.1917 -6.5667 0.0000 S 0 0 3 0 0 0 0 0 0 4.7542 -6.5750 0.0000 C 0 0 3 0 0 0 0 0 0 5.4667 -6.1542 0.0000 C 0 0 0 0 0 0 0 0 0 4.0375 -6.1667 0.0000 C 0 0 0 0 0 0 0 0 0 6.9875 -6.3417 0.0000 C 0 0 0 0 0 0 0 0 0 4.0375 -8.6250 0.0000 C 0 0 0 0 0 0 0 0 0 4.0292 -9.4500 0.0000 C 0 0 0 0 0 0 0 0 0 5.9792 -7.3625 0.0000 O 0 0 0 0 0 0 0 0 0 6.3875 -5.7625 0.0000 O 0 0 0 0 0 0 0 0 0 4.0292 -5.3417 0.0000 O 0 0 0 0 0 0 0 0 0 4.7667 -7.3917 0.0000 N 0 0 0 0 0 0 0 0 0 3.3292 -6.5917 0.0000 N 0 0 0 0 0 0 0 0 0 7.5792 -6.9167 0.0000 C 0 0 0 0 0 0 0 0 0 7.1917 -5.5375 0.0000 C 0 0 0 0 0 0 0 0 0 9.3667 -5.6542 0.0000 O 0 0 0 0 0 0 0 0 0 8.5750 -5.8875 0.0000 C 0 0 0 0 0 0 0 0 0 4.0417 -6.9917 0.0000 C 0 0 0 0 0 0 0 0 0 7.9792 -5.3125 0.0000 C 0 0 0 0 0 0 0 0 0 8.3750 -6.6917 0.0000 C 0 0 0 0 0 0 0 0 0 9.9625 -6.2292 0.0000 C 0 0 0 0 0 0 0 0 0 4.0500 -7.8042 0.0000 C 0 0 0 0 0 0 0 0 0 2.6042 -6.1875 0.0000 O 0 0 0 0 0 0 0 0 0 9.7625 -7.0292 0.0000 C 0 0 0 0 0 0 0 0 0 10.7500 -6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 11.3417 -6.5667 0.0000 C 0 0 0 0 0 0 0 0 0 10.3542 -7.6000 0.0000 C 0 0 0 0 0 0 0 0 0 11.1417 -7.3750 0.0000 C 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 3 1 1 0 0 0 4 2 1 0 0 0 5 1 1 0 0 0 6 21 1 0 0 0 7 6 3 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 4 2 0 0 0 11 2 1 0 0 0 12 4 1 0 0 0 13 5 1 0 0 0 14 5 2 0 0 0 15 16 1 0 0 0 16 18 2 0 0 0 17 2 1 0 0 0 18 14 1 0 0 0 19 13 2 0 0 0 20 15 1 0 0 0 21 11 1 0 0 0 22 12 1 0 0 0 23 20 2 0 0 0 24 20 1 0 0 0 25 24 2 0 0 0 26 23 1 0 0 0 27 25 1 0 0 0 19 16 1 0 0 0 26 27 2 0 0 0 M END > 9.22184874961636 > 6.15490195998574 $$$$ 11280715252D 1 1.00000 0.00000 0 33 37 0 1 0 999 V2000 -1.9750 -7.6500 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3833 -8.9500 0.0000 N 0 0 3 0 0 0 0 0 0 -1.3083 -8.1292 0.0000 C 0 0 0 0 0 0 0 0 0 -2.1333 -9.2917 0.0000 N 0 0 0 0 0 0 0 0 0 -2.7250 -7.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0.7375 -9.6667 0.0000 C 0 0 2 0 0 0 0 0 0 -2.8083 -8.8125 0.0000 N 0 0 0 0 0 0 0 0 0 1.4042 -9.1875 0.0000 C 0 0 1 0 0 0 0 0 0 0.0750 -9.1792 0.0000 C 0 0 2 0 0 0 0 0 0 -0.7125 -9.4292 0.0000 C 0 0 0 0 0 0 0 0 0 -2.0625 -6.8292 0.0000 S 0 0 0 0 0 0 0 0 0 0.7292 -10.4917 0.0000 C 0 0 0 0 0 0 0 0 0 2.1875 -9.4500 0.0000 S 0 0 0 0 0 0 0 0 0 -3.2750 -7.3750 0.0000 C 0 0 0 0 0 0 0 0 0 -2.8708 -6.6625 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5500 -7.7917 0.0000 O 0 0 0 0 0 0 0 0 0 1.1542 -8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0.3292 -8.3917 0.0000 C 0 0 0 0 0 0 0 0 0 4.6542 -7.2625 0.0000 C 0 0 0 0 0 0 0 0 0 4.0417 -7.8042 0.0000 C 0 0 0 0 0 0 0 0 0 1.4417 -10.9125 0.0000 O 0 0 0 0 0 0 0 0 0 2.8042 -8.9000 0.0000 C 0 0 0 0 0 0 0 0 0 5.4375 -7.5250 0.0000 C 0 0 0 0 0 0 0 0 0 4.4875 -6.4542 0.0000 C 0 0 0 0 0 0 0 0 0 3.2542 -7.5500 0.0000 C 0 0 0 0 0 0 0 0 0 4.2042 -8.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0.0125 -10.9042 0.0000 O 0 0 0 0 0 0 0 0 0 5.8875 -6.1667 0.0000 C 0 0 0 0 0 0 0 0 0 2.6375 -8.1000 0.0000 C 0 0 0 0 0 0 0 0 0 3.5875 -9.1667 0.0000 C 0 0 0 0 0 0 0 0 0 6.0542 -6.9750 0.0000 C 0 0 0 0 0 0 0 0 0 5.1000 -5.9042 0.0000 C 0 0 0 0 0 0 0 0 0 6.5042 -5.6167 0.0000 Cl 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 3 1 1 0 0 0 4 7 1 0 0 0 5 1 2 0 0 0 6 9 1 0 0 0 7 5 1 0 0 0 8 6 1 0 0 0 9 10 1 6 0 0 10 2 1 0 0 0 11 1 1 0 0 0 6 12 1 1 0 0 8 13 1 6 0 0 14 5 1 0 0 0 15 11 1 0 0 0 16 3 2 0 0 0 17 18 1 0 0 0 18 9 1 0 0 0 19 20 1 0 0 0 20 26 2 0 0 0 21 12 2 0 0 0 22 13 1 0 0 0 23 19 2 0 0 0 24 19 1 0 0 0 25 29 2 0 0 0 26 30 1 0 0 0 27 12 1 0 0 0 28 32 1 0 0 0 29 22 1 0 0 0 30 22 2 0 0 0 31 23 1 0 0 0 32 24 2 0 0 0 33 28 1 0 0 0 15 14 2 0 0 0 4 2 1 0 0 0 8 17 1 0 0 0 20 25 1 0 0 0 31 28 2 0 0 0 M END > 6.87614835903291 > 5.35654732351381 $$$$ SciTegic01161211212D 29 31 0 0 0 0 999 V2000 2.4505 -21.2540 0.0000 C 0 0 1.7336 -21.6624 0.0000 C 0 0 1.7290 -22.4828 0.0000 C 0 0 2.4394 -22.9010 0.0000 N 0 0 3.1626 -21.6660 0.0000 C 0 0 1.7360 -20.8443 0.0000 S 0 0 3.1652 -20.8402 0.0000 C 0 0 3.1672 -22.4906 0.0000 C 0 0 1.0227 -21.2590 0.0000 C 0 0 0.3088 -20.8446 0.0000 C 0 0 -0.4041 -21.2586 0.0000 C 0 0 -0.4021 -22.0847 0.0000 C 0 0 0.3188 -22.4950 0.0000 C 0 0 1.0287 -22.0786 0.0000 C 0 0 1.3169 -20.1246 0.0000 O 0 0 2.1421 -20.1246 0.0000 O 0 0 -1.1149 -22.5003 0.0000 O 0 0 -1.8313 -22.0908 0.0000 C 0 0 -1.8296 -21.2677 0.0000 C 0 0 -2.5452 -20.8583 0.0000 C 0 0 -3.2590 -21.2740 0.0000 C 0 0 -3.2528 -22.1034 0.0000 C 0 0 -2.5368 -22.5092 0.0000 C 0 0 -3.9760 -20.8654 0.0000 Cl 0 0 3.8803 -21.2519 0.0000 N 0 0 3.1643 -20.0151 0.0000 O 0 0 4.5945 -20.8384 0.0000 O 0 0 2.4318 -23.7262 0.0000 C 0 0 1.7134 -24.1322 0.0000 C 0 0 14 9 1 0 6 15 2 0 1 7 1 0 6 16 2 0 1 5 1 0 12 17 1 0 2 3 1 0 17 18 1 0 6 9 1 0 18 19 2 0 3 4 1 0 19 20 1 0 9 10 2 0 20 21 2 0 4 8 1 0 21 22 1 0 10 11 1 0 22 23 2 0 23 18 1 0 8 5 1 0 21 24 1 0 11 12 2 0 7 25 1 0 1 2 1 0 7 26 2 0 12 13 1 0 25 27 1 0 6 1 1 0 4 28 1 0 13 14 2 0 28 29 1 0 M END > 9 > 5.76447155309245 $$$$ 11280715512D 1 1.00000 0.00000 0 26 27 0 1 0 999 V2000 12.8002 2.2898 0.0000 C 0 0 0 0 0 0 0 0 0 12.7990 1.4630 0.0000 C 0 0 0 0 0 0 0 0 0 13.5132 1.0506 0.0000 C 0 0 0 0 0 0 0 0 0 14.2291 1.4635 0.0000 C 0 0 0 0 0 0 0 0 0 14.2262 2.2934 0.0000 C 0 0 0 0 0 0 0 0 0 13.5114 2.7022 0.0000 C 0 0 0 0 0 0 0 0 0 12.0807 1.0390 0.0000 S 0 0 3 0 0 0 0 0 0 11.3570 0.6162 0.0000 N 0 0 3 0 0 0 0 0 0 12.5057 0.3188 0.0000 O 0 0 0 0 0 0 0 0 0 11.6532 1.7602 0.0000 O 0 0 0 0 0 0 0 0 0 10.6331 1.0217 0.0000 C 0 0 2 0 0 0 0 0 0 9.9242 0.6023 0.0000 C 0 0 3 0 0 0 0 0 0 9.9328 -0.2284 0.0000 S 0 0 0 0 0 0 0 0 0 10.6649 -0.6298 0.0000 C 0 0 0 0 0 0 0 0 0 11.3718 -0.2129 0.0000 C 0 0 0 0 0 0 0 0 0 10.6180 1.8459 0.0000 C 0 0 0 0 0 0 0 0 0 11.3202 2.2703 0.0000 O 0 0 0 0 0 0 0 0 0 9.8926 2.2500 0.0000 N 0 0 0 0 0 0 0 0 0 9.8817 3.0742 0.0000 O 0 0 0 0 0 0 0 0 0 14.9433 2.7143 0.0000 O 0 0 0 0 0 0 0 0 0 15.6572 2.2968 0.0000 C 0 0 0 0 0 0 0 0 0 15.6471 1.4715 0.0000 C 0 0 0 0 0 0 0 0 0 9.7084 1.3988 0.0000 C 0 0 0 0 0 0 0 0 0 9.1005 0.6495 0.0000 C 0 0 0 0 0 0 0 0 0 16.3559 1.0507 0.0000 C 0 0 0 0 0 0 0 0 0 17.0646 0.6412 0.0000 C 0 0 0 0 0 0 0 0 0 2 7 1 0 0 0 8 15 1 0 0 0 11 12 1 6 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 3 4 2 0 0 0 11 16 1 0 0 0 7 8 1 0 0 0 16 17 2 0 0 0 16 18 1 0 0 0 7 9 2 0 0 0 18 19 1 0 0 0 4 5 1 0 0 0 5 20 1 0 0 0 7 10 2 0 0 0 20 21 1 0 0 0 8 11 1 0 0 0 21 22 1 0 0 0 2 3 1 0 0 0 12 23 1 0 0 0 5 6 2 0 0 0 12 24 1 0 0 0 6 1 1 0 0 0 22 25 1 0 0 0 1 2 2 0 0 0 25 26 3 0 0 0 M END > 9 > 8.69897000433602 $$$$ 11280715302D 1 1.00000 0.00000 0 22 23 0 0 0 999 V2000 2.7292 -1.6000 0.0000 S 0 0 3 0 0 0 0 0 0 2.7292 -2.1917 0.0000 N 0 0 3 0 0 0 0 0 0 2.2417 -2.5500 0.0000 C 0 0 3 0 0 0 0 0 0 1.6750 -2.3667 0.0000 C 0 0 0 0 0 0 0 0 0 2.7250 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 3.3292 -1.6000 0.0000 O 0 0 0 0 0 0 0 0 0 2.1292 -1.5917 0.0000 O 0 0 0 0 0 0 0 0 0 1.5500 -1.7792 0.0000 O 0 0 0 0 0 0 0 0 0 1.2292 -2.7667 0.0000 N 0 0 0 0 0 0 0 0 0 2.1917 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 3.2417 -0.6917 0.0000 C 0 0 0 0 0 0 0 0 0 3.3167 -2.3542 0.0000 C 0 0 0 0 0 0 0 0 0 2.7042 0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 2.2167 -3.1542 0.0000 C 0 0 0 0 0 0 0 0 0 3.2292 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 2.1917 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0.6542 -2.5792 0.0000 O 0 0 0 0 0 0 0 0 0 2.7000 0.8000 0.0000 O 0 0 0 0 0 0 0 0 0 3.2125 1.1083 0.0000 C 0 0 0 0 0 0 0 0 0 3.5625 -2.9042 0.0000 C 0 0 0 0 0 0 0 0 0 2.6792 -3.5542 0.0000 C 0 0 0 0 0 0 0 0 0 3.2750 -3.4375 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 1 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 4 2 0 0 0 9 4 1 0 0 0 10 5 1 0 0 0 11 5 2 0 0 0 12 2 1 0 0 0 13 15 2 0 0 0 14 3 1 0 0 0 15 11 1 0 0 0 16 10 2 0 0 0 17 9 1 0 0 0 18 13 1 0 0 0 19 18 1 0 0 0 20 12 1 0 0 0 21 14 1 0 0 0 22 20 1 0 0 0 16 13 1 0 0 0 22 21 1 0 0 0 M END > 8.74472749489669 > 7.30980391997149 $$$$ SciTegic01161211242D 25 26 0 0 0 0 999 V2000 2.2111 0.1709 0.0000 C 0 0 2.2099 -0.6565 0.0000 C 0 0 2.9247 -1.0694 0.0000 C 0 0 3.6412 -0.6560 0.0000 C 0 0 3.6383 0.1745 0.0000 C 0 0 2.9229 0.5836 0.0000 C 0 0 2.9205 1.4086 0.0000 S 0 0 3.3124 2.1364 0.0000 N 0 0 4.1371 2.1594 0.0000 C 0 0 4.5693 1.4567 0.0000 C 0 0 4.1769 0.7310 0.0000 O 0 0 5.3940 1.4797 0.0000 N 0 0 5.8263 0.7770 0.0000 O 0 0 2.8801 2.8391 0.0000 C 0 0 3.2725 3.5648 0.0000 C 0 0 2.8403 4.2742 0.0000 C 0 0 4.0972 3.5878 0.0000 C 0 0 2.2000 1.0042 0.0000 O 0 0 2.2000 1.8250 0.0000 O 0 0 2.9264 -1.8922 0.0000 C 0 0 2.2102 -2.3039 0.0000 C 0 0 2.2097 -3.1281 0.0000 C 0 0 2.9246 -3.5416 0.0000 C 0 0 3.6415 -3.1249 0.0000 C 0 0 3.6385 -2.3020 0.0000 C 0 0 6 1 1 0 12 13 1 0 1 2 2 0 8 14 1 0 6 7 1 0 14 15 1 0 3 4 2 0 15 16 1 0 7 8 1 0 15 17 1 0 7 18 2 0 8 9 1 0 7 19 2 0 4 5 1 0 9 10 1 0 20 21 2 0 2 3 1 0 21 22 1 0 10 11 2 0 22 23 2 0 5 6 2 0 23 24 1 0 10 12 1 0 24 25 2 0 25 20 1 0 3 20 1 0 M END > 8.0268721464003 > 5.38721614328026 $$$$ 11280715442D 1 1.00000 0.00000 0 31 33 0 1 0 999 V2000 -0.5583 -0.6167 0.0000 S 0 0 3 0 0 0 0 0 0 -0.5583 0.2083 0.0000 N 0 0 3 0 0 0 0 0 0 0.1542 0.6208 0.0000 C 0 0 1 0 0 0 0 0 0 0.8667 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5625 -1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0.1542 1.4458 0.0000 C 0 0 2 0 0 0 0 0 0 0.2667 -0.6167 0.0000 O 0 0 0 0 0 0 0 0 0 -1.3833 -0.6125 0.0000 O 0 0 0 0 0 0 0 0 0 1.2750 -0.5042 0.0000 O 0 0 0 0 0 0 0 0 0 1.5792 0.6208 0.0000 N 0 0 0 0 0 0 0 0 0 -1.2708 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0.1417 -1.8542 0.0000 C 0 0 0 0 0 0 0 0 0 -1.2833 -1.8417 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5875 -3.9125 0.0000 O 0 0 0 0 0 0 0 0 0 -0.5833 -3.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0.1500 2.2708 0.0000 O 0 0 0 0 0 0 0 0 0 2.2542 -3.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0.8375 -3.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0.1250 -4.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0.1375 -2.6792 0.0000 C 0 0 0 0 0 0 0 0 0 -1.2958 -2.6667 0.0000 C 0 0 0 0 0 0 0 0 0 2.9750 -2.6667 0.0000 F 0 0 0 0 0 0 0 0 0 2.2917 0.2083 0.0000 O 0 0 0 0 0 0 0 0 0 2.2542 -3.9125 0.0000 C 0 0 0 0 0 0 0 0 0 1.5417 -2.6750 0.0000 C 0 0 0 0 0 0 0 0 0 1.5417 -4.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0.8292 -3.0875 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5583 1.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0.9500 1.6583 0.0000 C 0 0 0 0 0 0 0 0 0 -1.2708 1.4458 0.0000 C 0 0 0 0 0 0 0 0 0 1.5292 2.2458 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 3 4 1 6 0 0 5 1 1 0 0 0 6 3 1 0 0 0 7 1 2 0 0 0 8 1 2 0 0 0 9 4 2 0 0 0 10 4 1 0 0 0 11 2 1 0 0 0 12 5 1 0 0 0 13 5 2 0 0 0 14 15 1 0 0 0 15 21 2 0 0 0 6 16 1 1 0 0 17 25 1 0 0 0 18 19 1 0 0 0 19 14 1 0 0 0 20 12 2 0 0 0 21 13 1 0 0 0 22 17 1 0 0 0 23 10 1 0 0 0 24 26 1 0 0 0 25 27 2 0 0 0 26 18 2 0 0 0 27 18 1 0 0 0 28 30 1 0 0 0 6 29 1 6 0 0 30 11 1 0 0 0 31 29 1 0 0 0 15 20 1 0 0 0 28 6 1 0 0 0 17 24 2 0 0 0 M END > 8.79588001734407 > 6.30102999566398 $$$$ 11280715092D 1 1.00000 0.00000 0 35 37 0 0 0 999 V2000 6.3167 -2.4500 0.0000 S 0 0 3 0 0 0 0 0 0 5.7375 -2.3000 0.0000 N 0 0 0 0 0 0 0 0 0 5.1917 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 5.2167 -2.6000 0.0000 C 0 0 3 0 0 0 0 0 0 5.2000 -4.4000 0.0000 N 0 0 3 0 0 0 0 0 0 4.6917 -2.3000 0.0000 C 0 0 0 0 0 0 0 0 0 6.8917 -2.2875 0.0000 C 0 0 0 0 0 0 0 0 0 5.7125 -5.3000 0.0000 O 0 0 0 0 0 0 0 0 0 6.4667 -3.0250 0.0000 O 0 0 0 0 0 0 0 0 0 6.5667 -1.9292 0.0000 O 0 0 0 0 0 0 0 0 0 5.2125 -3.2000 0.0000 C 0 0 3 0 0 0 0 0 0 4.6750 -5.2917 0.0000 O 0 0 0 0 0 0 0 0 0 5.7167 -4.1000 0.0000 C 0 0 0 0 0 0 0 0 0 4.6792 -4.0917 0.0000 C 0 0 0 0 0 0 0 0 0 7.9292 -1.6875 0.0000 C 0 0 0 0 0 0 0 0 0 8.4500 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 4.6917 -1.7000 0.0000 O 0 0 0 0 0 0 0 0 0 5.7125 -5.9000 0.0000 C 0 0 3 0 0 0 0 0 0 7.4125 -2.5875 0.0000 C 0 0 0 0 0 0 0 0 0 6.8917 -1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 5.7292 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 4.6875 -3.4917 0.0000 C 0 0 0 0 0 0 0 0 0 7.4042 -1.3875 0.0000 C 0 0 0 0 0 0 0 0 0 7.9292 -2.2875 0.0000 C 0 0 0 0 0 0 0 0 0 8.4375 -0.7792 0.0000 C 0 0 0 0 0 0 0 0 0 8.9750 -1.6750 0.0000 C 0 0 0 0 0 0 0 0 0 4.1667 -2.6042 0.0000 O 0 0 0 0 0 0 0 0 0 9.4792 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 9.4917 -1.3667 0.0000 C 0 0 0 0 0 0 0 0 0 8.9542 -0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 10.0042 -0.4625 0.0000 O 0 0 0 0 0 0 0 0 0 6.2292 -6.1917 0.0000 C 0 0 0 0 0 0 0 0 0 5.1917 -6.2000 0.0000 C 0 0 0 0 0 0 0 0 0 6.1292 -5.4750 0.0000 C 0 0 0 0 0 0 0 0 0 10.5792 -0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 5 1 0 0 0 4 2 1 0 0 0 5 14 1 0 0 0 6 4 1 0 0 0 7 1 1 0 0 0 8 3 1 0 0 0 9 1 2 0 0 0 10 1 2 0 0 0 11 4 1 0 0 0 12 3 2 0 0 0 13 21 1 0 0 0 14 22 1 0 0 0 15 23 1 0 0 0 16 15 1 0 0 0 17 6 2 0 0 0 18 8 1 0 0 0 19 7 2 0 0 0 20 7 1 0 0 0 21 11 1 0 0 0 22 11 1 0 0 0 23 20 2 0 0 0 24 19 1 0 0 0 25 16 1 0 0 0 26 16 2 0 0 0 27 6 1 0 0 0 28 29 2 0 0 0 29 26 1 0 0 0 30 25 2 0 0 0 31 28 1 0 0 0 32 18 1 0 0 0 33 18 1 0 0 0 34 18 1 0 0 0 35 31 1 0 0 0 15 24 2 0 0 0 5 13 1 0 0 0 28 30 1 0 0 0 M END > 9.15490195998574 > 5.84771165561694 $$$$ SciTegic01161211222D 25 26 0 0 0 0 999 V2000 -3.9223 -0.1791 0.0000 C 0 0 -3.9234 -1.0065 0.0000 C 0 0 -3.2086 -1.4194 0.0000 C 0 0 -2.4922 -1.0060 0.0000 C 0 0 -2.4950 -0.1755 0.0000 C 0 0 -3.2104 0.2336 0.0000 C 0 0 -3.2129 1.0586 0.0000 S 0 0 -2.7920 1.7698 0.0000 N 0 0 -1.9671 1.7595 0.0000 C 0 0 -1.5636 1.0399 0.0000 C 0 0 -1.9850 0.3307 0.0000 O 0 0 -0.7386 1.0296 0.0000 N 0 0 -0.3351 0.3100 0.0000 O 0 0 -3.1955 2.4894 0.0000 O 0 0 -2.7741 3.1987 0.0000 C 0 0 -3.1777 3.9182 0.0000 C 0 0 -1.9492 3.1883 0.0000 C 0 0 -3.9333 1.4750 0.0000 O 0 0 -3.8042 0.4792 0.0000 O 0 0 -3.2088 -2.2444 0.0000 C 0 0 -3.9231 -2.6539 0.0000 C 0 0 -3.9237 -3.4781 0.0000 C 0 0 -3.2088 -3.8916 0.0000 C 0 0 -2.4918 -3.4749 0.0000 C 0 0 -2.4948 -2.6520 0.0000 C 0 0 6 1 1 0 12 13 1 0 1 2 2 0 8 14 1 0 6 7 1 0 14 15 1 0 3 4 2 0 15 16 1 0 7 8 1 0 15 17 1 0 7 18 2 0 8 9 1 0 7 19 2 0 4 5 1 0 3 20 1 0 9 10 1 0 20 21 2 0 2 3 1 0 21 22 1 0 10 11 2 0 22 23 2 0 5 6 2 0 23 24 1 0 10 12 1 0 24 25 2 0 25 20 1 0 M END > 7.69897000433602 > 5.53760200210104 $$$$ SciTegic01161211212D 28 30 0 0 0 0 999 V2000 1.6972 -16.7347 0.0000 C 0 0 0.9800 -17.1435 0.0000 C 0 0 0.9753 -17.9644 0.0000 C 0 0 1.6862 -18.3829 0.0000 N 0 0 2.4098 -17.1471 0.0000 C 0 0 0.9823 -16.3248 0.0000 S 0 0 2.4125 -16.3207 0.0000 C 0 0 2.4144 -17.9721 0.0000 C 0 0 0.2685 -16.7397 0.0000 C 0 0 -0.4458 -16.3251 0.0000 C 0 0 -1.1592 -16.7393 0.0000 C 0 0 -1.1572 -17.5659 0.0000 C 0 0 -0.4359 -17.9765 0.0000 C 0 0 0.2745 -17.5598 0.0000 C 0 0 0.5630 -15.6047 0.0000 O 0 0 1.3887 -15.6047 0.0000 O 0 0 -1.8705 -17.9819 0.0000 O 0 0 -2.5873 -17.5720 0.0000 C 0 0 -2.5857 -16.7486 0.0000 C 0 0 -3.3017 -16.3388 0.0000 C 0 0 -4.0159 -16.7548 0.0000 C 0 0 -4.0097 -17.5847 0.0000 C 0 0 -3.2931 -17.9907 0.0000 C 0 0 -4.7332 -16.3459 0.0000 Cl 0 0 3.1280 -16.7326 0.0000 N 0 0 2.4115 -15.4950 0.0000 O 0 0 3.8426 -16.3190 0.0000 O 0 0 1.6785 -19.2085 0.0000 C 0 0 13 14 2 0 14 9 1 0 6 15 2 0 1 7 1 0 6 16 2 0 1 5 1 0 12 17 1 0 2 3 1 0 17 18 1 0 6 9 1 0 18 19 2 0 3 4 1 0 19 20 1 0 9 10 2 0 20 21 2 0 4 8 1 0 21 22 1 0 10 11 1 0 22 23 2 0 23 18 1 0 8 5 1 0 21 24 1 0 11 12 2 0 7 25 1 0 1 2 1 0 7 26 2 0 12 13 1 0 25 27 1 0 6 1 1 0 4 28 1 0 M END > 8.69897000433602 > 5.85078088734462 $$$$ 11280715072D 1 1.00000 0.00000 0 30 32 0 0 0 999 V2000 4.0250 -2.2500 0.0000 S 0 0 3 0 0 0 0 0 0 3.2375 -2.2542 0.0000 N 0 0 3 0 0 0 0 0 0 2.9375 -2.7750 0.0000 C 0 0 0 0 0 0 0 0 0 2.3375 -2.7750 0.0000 C 0 0 0 0 0 0 0 0 0 2.0292 -2.2542 0.0000 C 0 0 0 0 0 0 0 0 0 4.6250 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 3.9917 -1.5917 0.0000 O 0 0 0 0 0 0 0 0 0 4.0250 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 2.9292 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 2.0417 -3.2917 0.0000 C 0 0 0 0 0 0 0 0 0 2.3667 -1.5917 0.0000 O 0 0 0 0 0 0 0 0 0 1.4292 -2.2542 0.0000 N 0 0 0 0 0 0 0 0 0 4.9167 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 4.9167 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 3.2375 -3.2917 0.0000 C 0 0 0 0 0 0 0 0 0 5.8167 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 3.2292 -1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 5.5167 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 5.5167 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 1.0875 -1.5625 0.0000 O 0 0 0 0 0 0 0 0 0 6.4167 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 2.9375 -3.8042 0.0000 C 0 0 0 0 0 0 0 0 0 2.3375 -3.8042 0.0000 C 0 0 0 0 0 0 0 0 0 1.4417 -3.2917 0.0000 C 0 0 0 0 0 0 0 0 0 3.8292 -1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 2.9292 -0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 6.7167 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 4.1292 -0.6917 0.0000 C 0 0 0 0 0 0 0 0 0 3.2292 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 3.8292 -0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 6 1 1 0 0 0 7 1 2 0 0 0 8 1 2 0 0 0 9 2 1 0 0 0 10 4 2 0 0 0 11 5 2 0 0 0 12 5 1 0 0 0 13 6 2 0 0 0 14 6 1 0 0 0 15 3 2 0 0 0 16 18 1 0 0 0 17 9 1 0 0 0 18 14 2 0 0 0 19 13 1 0 0 0 20 12 1 0 0 0 21 16 1 0 0 0 22 15 1 0 0 0 23 22 2 0 0 0 24 10 1 0 0 0 25 17 2 0 0 0 26 17 1 0 0 0 27 21 1 0 0 0 28 25 1 0 0 0 29 26 2 0 0 0 30 29 1 0 0 0 16 19 2 0 0 0 23 10 1 0 0 0 30 28 2 0 0 0 M END > 6.1444808443322 > 5.80327127737671 $$$$ 11280715512D 1 1.00000 0.00000 0 28 29 0 1 0 999 V2000 14.6096 -3.6787 0.0000 C 0 0 0 0 0 0 0 0 0 14.6085 -4.5052 0.0000 C 0 0 0 0 0 0 0 0 0 15.3225 -4.9174 0.0000 C 0 0 0 0 0 0 0 0 0 16.0379 -4.5047 0.0000 C 0 0 0 0 0 0 0 0 0 16.0351 -3.6751 0.0000 C 0 0 0 0 0 0 0 0 0 15.3207 -3.2665 0.0000 C 0 0 0 0 0 0 0 0 0 13.8904 -4.9290 0.0000 S 0 0 3 0 0 0 0 0 0 13.1670 -5.3517 0.0000 N 0 0 3 0 0 0 0 0 0 14.3153 -5.6489 0.0000 O 0 0 0 0 0 0 0 0 0 13.4630 -4.2081 0.0000 O 0 0 0 0 0 0 0 0 0 12.4435 -4.9462 0.0000 C 0 0 2 0 0 0 0 0 0 11.7346 -5.3656 0.0000 C 0 0 3 0 0 0 0 0 0 11.7432 -6.1959 0.0000 S 0 0 0 0 0 0 0 0 0 12.4753 -6.5971 0.0000 C 0 0 2 0 0 0 0 0 0 13.1819 -6.1804 0.0000 C 0 0 0 0 0 0 0 0 0 12.4284 -4.1224 0.0000 C 0 0 0 0 0 0 0 0 0 13.1302 -3.6982 0.0000 O 0 0 0 0 0 0 0 0 0 11.7031 -3.7185 0.0000 N 0 0 0 0 0 0 0 0 0 11.6922 -2.8946 0.0000 O 0 0 0 0 0 0 0 0 0 16.7520 -3.2544 0.0000 O 0 0 0 0 0 0 0 0 0 17.4655 -3.6717 0.0000 C 0 0 0 0 0 0 0 0 0 17.4555 -4.4967 0.0000 C 0 0 0 0 0 0 0 0 0 17.4512 -5.3268 0.0000 C 0 0 0 0 0 0 0 0 0 17.4420 -6.1582 0.0000 C 0 0 0 0 0 0 0 0 0 11.5191 -4.5694 0.0000 C 0 0 0 0 0 0 0 0 0 10.9115 -5.3184 0.0000 C 0 0 0 0 0 0 0 0 0 12.4896 -7.4228 0.0000 C 0 0 0 0 0 0 0 0 0 11.7825 -7.8458 0.0000 N 0 0 0 0 0 0 0 0 0 11 12 1 6 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 3 4 2 0 0 0 11 16 1 0 0 0 7 8 1 0 0 0 16 17 2 0 0 0 16 18 1 0 0 0 7 9 2 0 0 0 18 19 1 0 0 0 4 5 1 0 0 0 5 20 1 0 0 0 7 10 2 0 0 0 20 21 1 0 0 0 8 11 1 0 0 0 21 22 1 0 0 0 2 3 1 0 0 0 22 23 3 0 0 0 5 6 2 0 0 0 23 24 1 0 0 0 6 1 1 0 0 0 12 25 1 0 0 0 1 2 2 0 0 0 12 26 1 0 0 0 2 7 1 0 0 0 8 15 1 0 0 0 27 28 1 0 0 0 14 27 1 6 0 0 M END > 7.61978875828839 > 7.67778070526608 $$$$ CDK 9/16/09,10:8 34 36 0 0 0 0 0 0 0 0999 V2000 3.9425 -0.9560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9511 -1.7799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6665 -2.1864 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3776 -1.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3690 -0.9455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6536 -0.5304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6709 -3.0103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9602 -3.4297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3900 -3.4191 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6492 0.2935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9300 0.7023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9256 1.5303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0769 0.3051 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.4880 1.0229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6659 -0.4128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7948 -0.1059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3071 1.1140 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.4763 1.9237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7583 2.3348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1458 1.7790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2053 2.3039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8993 1.8578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9701 3.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2417 3.1237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6689 3.0597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6331 2.2364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3995 3.4405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0946 2.9982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1007 -3.0022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0951 -2.1783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3956 -4.2430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1120 -4.6501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3597 0.7128 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2153 0.2870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13 16 2 0 0 0 0 14 17 1 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 14 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 21 22 2 0 0 0 0 22 26 1 0 0 0 0 5 6 1 0 0 0 0 25 23 1 0 0 0 0 3 7 1 0 0 0 0 23 24 2 0 0 0 0 24 21 1 0 0 0 0 18 21 1 0 0 0 0 25 26 2 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 6 1 6 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 10 11 1 0 0 0 0 9 29 1 0 0 0 0 11 12 2 0 0 0 0 29 30 1 0 0 0 0 9 31 1 0 0 0 0 31 32 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 10 33 1 0 0 0 0 33 13 1 0 0 0 0 11 34 1 0 0 0 0 M END > 8.55284196865778 > 5.63827216398241 $$$$ 11280714482D 1 1.00000 0.00000 0 29 30 0 0 0 999 V2000 3.6917 -2.0750 0.0000 S 0 0 3 0 0 0 0 0 0 2.2667 -3.7250 0.0000 C 0 0 0 0 0 0 0 0 0 2.9792 -2.4875 0.0000 N 0 0 3 0 0 0 0 0 0 2.9792 -3.3125 0.0000 C 0 0 0 0 0 0 0 0 0 3.7000 -3.7250 0.0000 C 0 0 0 0 0 0 0 0 0 1.5500 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 4.4167 -1.6542 0.0000 C 0 0 0 0 0 0 0 0 0 3.2792 -1.3542 0.0000 O 0 0 0 0 0 0 0 0 0 4.1125 -2.7917 0.0000 O 0 0 0 0 0 0 0 0 0 2.2667 -4.5542 0.0000 C 0 0 0 0 0 0 0 0 0 8.7167 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 8.0000 -0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 3.7000 -4.5542 0.0000 C 0 0 0 0 0 0 0 0 0 2.9792 -4.9667 0.0000 C 0 0 0 0 0 0 0 0 0 1.5542 -2.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0.8375 -3.7125 0.0000 N 0 0 0 0 0 0 0 0 0 5.1292 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0 4.4167 -0.8292 0.0000 C 0 0 0 0 0 0 0 0 0 2.2667 -2.0750 0.0000 C 0 0 0 0 0 0 0 0 0 2.9792 -5.7917 0.0000 Br 0 0 0 0 0 0 0 0 0 5.8417 -0.8292 0.0000 C 0 0 0 0 0 0 0 0 0 5.8417 -1.6542 0.0000 C 0 0 0 0 0 0 0 0 0 5.1292 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0.1167 -3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 4.4167 -3.3042 0.0000 C 0 0 0 0 0 0 0 0 0 9.4292 0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 7.2875 -0.8167 0.0000 C 0 0 0 0 0 0 0 0 0 6.5667 -0.4042 0.0000 O 0 0 0 0 0 0 0 0 0 10.1542 0.0333 0.0000 O 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 3 1 1 0 0 0 4 3 1 0 0 0 5 4 2 0 0 0 6 2 1 0 0 0 7 1 1 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 2 2 0 0 0 11 12 3 0 0 0 12 27 1 0 0 0 13 5 1 0 0 0 14 13 2 0 0 0 15 6 2 0 0 0 16 6 1 0 0 0 17 7 2 0 0 0 18 7 1 0 0 0 19 3 1 0 0 0 20 14 1 0 0 0 21 23 1 0 0 0 22 17 1 0 0 0 23 18 2 0 0 0 24 16 1 0 0 0 25 5 1 0 0 0 26 11 1 0 0 0 27 28 1 0 0 0 28 21 1 0 0 0 29 26 1 0 0 0 22 21 2 0 0 0 10 14 1 0 0 0 M END > 7.08092190762393 > 5.49444306133618 $$$$ 11280715442D 1 1.00000 0.00000 0 30 32 0 1 0 999 V2000 -0.1208 -0.1875 0.0000 S 0 0 3 0 0 0 0 0 0 -0.1208 0.6375 0.0000 N 0 0 3 0 0 0 0 0 0 0.5917 1.0458 0.0000 C 0 0 1 0 0 0 0 0 0 1.3042 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1250 -1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0.5917 1.8708 0.0000 C 0 0 2 0 0 0 0 0 0 0.7042 -0.1875 0.0000 O 0 0 0 0 0 0 0 0 0 -0.9458 -0.1792 0.0000 O 0 0 0 0 0 0 0 0 0 1.2750 -3.4792 0.0000 C 0 0 0 0 0 0 0 0 0 1.7125 -0.0792 0.0000 O 0 0 0 0 0 0 0 0 0 2.0167 1.0500 0.0000 N 0 0 0 0 0 0 0 0 0 1.9792 -3.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0.5625 -3.8917 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8333 1.0458 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8458 -1.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0.5792 -1.4250 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1500 -3.4792 0.0000 O 0 0 0 0 0 0 0 0 0 -0.1458 -2.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0.5875 2.6958 0.0000 O 0 0 0 0 0 0 0 0 0 1.9792 -4.7167 0.0000 Cl 0 0 0 0 0 0 0 0 0 -0.8583 -2.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0.5750 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 2.7292 0.6375 0.0000 O 0 0 0 0 0 0 0 0 0 -0.1208 2.2875 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8333 1.8708 0.0000 C 0 0 0 0 0 0 0 0 0 1.3875 2.0875 0.0000 C 0 0 0 0 0 0 0 0 0 1.2667 -2.6542 0.0000 C 0 0 0 0 0 0 0 0 0 2.7000 -3.4792 0.0000 C 0 0 0 0 0 0 0 0 0 1.9792 -2.2417 0.0000 C 0 0 0 0 0 0 0 0 0 2.7000 -2.6542 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 3 4 1 6 0 0 5 1 1 0 0 0 6 3 1 0 0 0 7 1 2 0 0 0 8 1 2 0 0 0 9 13 1 0 0 0 10 4 2 0 0 0 11 4 1 0 0 0 12 9 2 0 0 0 13 17 1 0 0 0 14 2 1 0 0 0 15 5 2 0 0 0 16 5 1 0 0 0 17 18 1 0 0 0 18 22 1 0 0 0 6 19 1 1 0 0 20 12 1 0 0 0 21 15 1 0 0 0 22 16 2 0 0 0 23 11 1 0 0 0 24 25 1 0 0 0 25 14 1 0 0 0 6 26 1 6 0 0 27 9 1 0 0 0 28 12 1 0 0 0 29 27 2 0 0 0 30 29 1 0 0 0 18 21 2 0 0 0 24 6 1 0 0 0 30 28 2 0 0 0 M END > 9 > 6.56863623584101 $$$$ 11280715162D 1 1.00000 0.00000 0 37 40 0 0 0 999 V2000 4.9000 -4.1125 0.0000 S 0 0 3 0 0 0 0 0 0 4.1792 -3.7042 0.0000 N 0 0 3 0 0 0 0 0 0 3.4625 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 2.7375 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 7.0292 -1.1917 0.0000 N 0 0 3 0 0 0 0 0 0 2.7375 -2.8792 0.0000 C 0 0 0 0 0 0 0 0 0 5.6125 -4.5292 0.0000 C 0 0 0 0 0 0 0 0 0 5.6125 -3.7000 0.0000 O 0 0 0 0 0 0 0 0 0 4.9000 -4.9417 0.0000 O 0 0 0 0 0 0 0 0 0 8.4500 -0.3542 0.0000 N 0 0 3 0 0 0 0 0 0 4.1667 -2.8792 0.0000 C 0 0 0 0 0 0 0 0 0 6.3125 -1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 3.4625 -4.9542 0.0000 C 0 0 0 0 0 0 0 0 0 7.0167 -0.3667 0.0000 C 0 0 0 0 0 0 0 0 0 7.7500 -1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 3.4542 -2.4667 0.0000 O 0 0 0 0 0 0 0 0 0 2.0167 -2.4667 0.0000 N 0 0 0 0 0 0 0 0 0 5.6042 -5.3542 0.0000 C 0 0 0 0 0 0 0 0 0 6.3167 -4.1125 0.0000 C 0 0 0 0 0 0 0 0 0 6.3167 -2.4417 0.0000 C 0 0 0 0 0 0 0 0 0 5.5875 -1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 8.4667 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 7.7292 0.0583 0.0000 C 0 0 0 0 0 0 0 0 0 4.8875 -2.4542 0.0000 C 0 0 0 0 0 0 0 0 0 2.0167 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 7.0417 -5.3542 0.0000 C 0 0 0 0 0 0 0 0 0 4.8750 -1.6292 0.0000 C 0 0 0 0 0 0 0 0 0 5.6042 -2.8667 0.0000 C 0 0 0 0 0 0 0 0 0 7.0292 -4.5250 0.0000 C 0 0 0 0 0 0 0 0 0 6.3250 -5.7667 0.0000 C 0 0 0 0 0 0 0 0 0 2.0167 -1.6375 0.0000 O 0 0 0 0 0 0 0 0 0 7.7500 -5.7542 0.0000 O 0 0 0 0 0 0 0 0 0 9.1667 0.0583 0.0000 C 0 0 0 0 0 0 0 0 0 2.0167 -4.9542 0.0000 C 0 0 0 0 0 0 0 0 0 2.7375 -5.3667 0.0000 C 0 0 0 0 0 0 0 0 0 4.1792 -5.3667 0.0000 C 0 0 0 0 0 0 0 0 0 8.4667 -5.3417 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 2 0 0 0 5 12 1 0 0 0 6 4 1 0 0 0 7 1 1 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 22 1 0 0 0 11 2 1 0 0 0 12 20 2 0 0 0 13 3 1 0 0 0 14 5 1 0 0 0 15 5 1 0 0 0 16 6 2 0 0 0 17 6 1 0 0 0 18 7 2 0 0 0 19 7 1 0 0 0 20 28 1 0 0 0 21 27 2 0 0 0 22 15 1 0 0 0 23 14 1 0 0 0 24 11 1 0 0 0 25 4 1 0 0 0 26 29 1 0 0 0 27 24 1 0 0 0 28 24 2 0 0 0 29 19 2 0 0 0 30 18 1 0 0 0 31 17 1 0 0 0 32 26 1 0 0 0 33 10 1 0 0 0 34 35 1 0 0 0 35 13 2 0 0 0 36 13 1 0 0 0 37 32 1 0 0 0 26 30 2 0 0 0 12 21 1 0 0 0 34 25 2 0 0 0 10 23 1 0 0 0 M END > 7.69897000433602 > 6.84771165561694 $$$$ 11280715312D 1 1.00000 0.00000 0 30 33 0 1 0 999 V2000 0.4250 -3.3875 0.0000 N 0 0 3 0 0 0 0 0 0 0.4250 -2.7875 0.0000 S 0 0 3 0 0 0 0 0 0 -0.0583 -3.7375 0.0000 C 0 0 2 0 0 0 0 0 0 0.9125 -3.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0.1250 -4.3125 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6333 -3.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0.7250 -4.3125 0.0000 C 0 0 2 0 0 0 0 0 0 1.0792 -4.7917 0.0000 N 0 0 3 0 0 0 0 0 0 0.9417 -2.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0.4167 -2.1875 0.0000 O 0 0 0 0 0 0 0 0 0 -0.1583 -2.6292 0.0000 O 0 0 0 0 0 0 0 0 0 -0.7583 -2.9667 0.0000 O 0 0 0 0 0 0 0 0 0 -1.0750 -3.9542 0.0000 N 0 0 0 0 0 0 0 0 0 0.9417 -1.8875 0.0000 C 0 0 0 0 0 0 0 0 0 1.4667 -2.7875 0.0000 C 0 0 0 0 0 0 0 0 0 2.5042 -1.5875 0.0000 O 0 0 0 0 0 0 0 0 0 1.9875 -1.8875 0.0000 C 0 0 0 0 0 0 0 0 0 1.4625 -1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 1.9875 -2.4875 0.0000 C 0 0 0 0 0 0 0 0 0 3.0250 -1.8792 0.0000 C 0 0 0 0 0 0 0 0 0 -1.6458 -3.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0.8917 -5.3667 0.0000 C 0 0 0 0 0 0 0 0 0 1.6792 -4.7917 0.0000 C 0 0 0 0 0 0 0 0 0 3.0250 -2.4792 0.0000 C 0 0 0 0 0 0 0 0 0 3.5375 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 1.8667 -5.3667 0.0000 C 0 0 0 0 0 0 0 0 0 1.3792 -5.7167 0.0000 C 0 0 0 0 0 0 0 0 0 4.0542 -1.8750 0.0000 C 0 0 0 0 0 0 0 0 0 3.5417 -2.7792 0.0000 C 0 0 0 0 0 0 0 0 0 4.0625 -2.4792 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 1 1 0 0 0 3 5 1 6 0 0 6 3 1 0 0 0 7 4 1 0 0 0 7 8 1 1 0 0 9 2 1 0 0 0 10 2 2 0 0 0 11 2 2 0 0 0 12 6 2 0 0 0 13 6 1 0 0 0 14 9 1 0 0 0 15 9 2 0 0 0 16 17 1 0 0 0 17 19 2 0 0 0 18 14 2 0 0 0 19 15 1 0 0 0 20 16 1 0 0 0 21 13 1 0 0 0 22 8 1 0 0 0 23 8 1 0 0 0 24 20 2 0 0 0 25 20 1 0 0 0 26 23 1 0 0 0 27 22 1 0 0 0 28 25 2 0 0 0 29 24 1 0 0 0 30 28 1 0 0 0 7 5 1 0 0 0 17 18 1 0 0 0 26 27 1 0 0 0 30 29 2 0 0 0 M END > 9.39794000867204 > 7.72124639904717 $$$$ 11280715192D 1 1.00000 0.00000 0 32 34 0 1 0 999 V2000 1.7542 -1.2625 0.0000 S 0 0 3 0 0 0 0 0 0 1.7542 -0.4375 0.0000 N 0 0 3 0 0 0 0 0 0 2.4667 -0.0167 0.0000 C 0 0 2 0 0 0 0 0 0 1.7417 1.2208 0.0000 N 0 0 3 0 0 0 0 0 0 2.4625 0.8083 0.0000 C 0 0 1 0 0 0 0 0 0 3.1792 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 1.0292 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 1.7375 2.0458 0.0000 C 0 0 0 0 0 0 0 0 0 1.0250 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 1.7625 -2.0875 0.0000 C 0 0 0 0 0 0 0 0 0 2.4750 -0.8500 0.0000 O 0 0 0 0 0 0 0 0 0 1.0417 -0.8542 0.0000 O 0 0 0 0 0 0 0 0 0 3.1917 -1.2417 0.0000 O 0 0 0 0 0 0 0 0 0 2.4417 2.4625 0.0000 O 0 0 0 0 0 0 0 0 0 3.9000 -0.0042 0.0000 N 0 0 0 0 0 0 0 0 0 3.1917 -4.5625 0.0000 C 0 0 0 0 0 0 0 0 0 2.4750 -4.9750 0.0000 C 0 0 0 0 0 0 0 0 0 2.4792 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 1.0500 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 3.9000 -4.9792 0.0000 C 0 0 0 0 0 0 0 0 0 1.7625 -4.5625 0.0000 O 0 0 0 0 0 0 0 0 0 1.7625 -3.7417 0.0000 C 0 0 0 0 0 0 0 0 0 3.1750 1.2250 0.0000 C 0 0 0 0 0 0 0 0 0 2.4792 -3.3292 0.0000 C 0 0 0 0 0 0 0 0 0 1.0500 -3.3292 0.0000 C 0 0 0 0 0 0 0 0 0 4.6167 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 1.0167 2.4583 0.0000 C 0 0 0 0 0 0 0 0 0 3.1875 -3.7417 0.0000 C 0 0 0 0 0 0 0 0 0 3.9000 -5.8042 0.0000 C 0 0 0 0 0 0 0 0 0 4.6167 -4.5667 0.0000 C 0 0 0 0 0 0 0 0 0 3.8917 -3.3292 0.0000 C 0 0 0 0 0 0 0 0 0 4.6167 -3.7417 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 9 1 0 0 0 5 3 1 0 0 0 3 6 1 6 0 0 7 2 1 0 0 0 8 4 1 0 0 0 9 7 1 0 0 0 10 1 1 0 0 0 11 1 2 0 0 0 12 1 2 0 0 0 13 6 2 0 0 0 14 8 2 0 0 0 15 6 1 0 0 0 16 17 1 0 0 0 17 21 1 0 0 0 18 10 2 0 0 0 19 10 1 0 0 0 20 16 2 0 0 0 21 22 1 0 0 0 22 25 1 0 0 0 5 23 1 1 0 0 24 18 1 0 0 0 25 19 2 0 0 0 26 15 1 0 0 0 27 8 1 0 0 0 28 16 1 0 0 0 29 20 1 0 0 0 30 20 1 0 0 0 31 28 2 0 0 0 32 31 1 0 0 0 22 24 2 0 0 0 5 4 1 0 0 0 30 32 2 0 0 0 M END > 8.52287874528034 > 5.79588001734407 $$$$ Mrv0541 04051115152D 28 29 0 0 0 0 999 V2000 -4.5022 1.2806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6921 1.4365 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1520 0.8128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4220 0.0333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3419 0.9687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8018 0.3451 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9916 0.5010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7216 1.2806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4515 -0.1226 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3586 0.0333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6286 0.8128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4388 0.9687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0885 1.4365 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3586 2.2160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8987 -0.5904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7088 -0.4345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0589 0.3126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8775 0.2105 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0334 -0.5996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7398 -1.0258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7239 -1.8507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0016 -2.2493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2952 -1.8231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3111 -0.9982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0718 -0.4345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5317 -1.0581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7216 -0.9022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8018 -1.8377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 3 4 2 0 0 0 0 5 3 1 0 0 0 0 6 5 1 0 0 0 0 6 7 1 0 0 0 0 6 25 1 6 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 9 1 6 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 14 13 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 24 1 0 0 0 0 17 18 1 0 0 0 0 19 18 1 0 0 0 0 19 20 2 0 0 0 0 24 19 1 0 0 0 0 20 21 1 0 0 0 0 22 21 2 0 0 0 0 23 22 1 0 0 0 0 24 23 2 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 M END > 8.2839966563652 > 9.69897000433602 $$$$ 11280715312D 1 1.00000 0.00000 0 31 33 0 1 0 999 V2000 2.0417 -1.3250 0.0000 N 0 0 3 0 0 0 0 0 0 2.0417 -0.7250 0.0000 S 0 0 3 0 0 0 0 0 0 2.7000 -2.7292 0.0000 N 0 0 3 0 0 0 0 0 0 3.3042 -2.7292 0.0000 C 0 0 0 0 0 0 0 0 0 1.5625 -1.6750 0.0000 C 0 0 2 0 0 0 0 0 0 2.5167 -3.3042 0.0000 C 0 0 0 0 0 0 0 0 0 2.3417 -2.2500 0.0000 C 0 0 2 0 0 0 0 0 0 3.4875 -3.3042 0.0000 N 0 0 3 0 0 0 0 0 0 2.5292 -1.6750 0.0000 C 0 0 0 0 0 0 0 0 0 1.7417 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0.9917 -1.4917 0.0000 C 0 0 0 0 0 0 0 0 0 3.0042 -3.6542 0.0000 C 0 0 0 0 0 0 0 0 0 2.5667 -0.4250 0.0000 C 0 0 0 0 0 0 0 0 0 2.0375 -0.1250 0.0000 O 0 0 0 0 0 0 0 0 0 1.4625 -0.5667 0.0000 O 0 0 0 0 0 0 0 0 0 3.6542 -2.2417 0.0000 O 0 0 0 0 0 0 0 0 0 2.0542 -3.4917 0.0000 O 0 0 0 0 0 0 0 0 0 0.8667 -0.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0.5417 -1.8917 0.0000 N 0 0 0 0 0 0 0 0 0 2.5667 0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 3.0875 -0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 4.1250 0.4750 0.0000 O 0 0 0 0 0 0 0 0 0 3.6042 0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 4.0542 -3.4875 0.0000 C 0 0 0 0 0 0 0 0 0 3.6042 -0.4250 0.0000 C 0 0 0 0 0 0 0 0 0 3.0792 0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 4.6417 0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0250 -1.7042 0.0000 O 0 0 0 0 0 0 0 0 0 5.1625 0.4833 0.0000 C 0 0 3 0 0 0 0 0 0 5.6792 0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 5.1625 1.0833 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 7 3 1 1 0 0 4 3 1 0 0 0 5 1 1 0 0 0 6 3 1 0 0 0 7 9 1 0 0 0 8 4 1 0 0 0 9 1 1 0 0 0 5 10 1 6 0 0 11 5 1 0 0 0 12 6 1 0 0 0 13 2 1 0 0 0 14 2 2 0 0 0 15 2 2 0 0 0 16 4 2 0 0 0 17 6 2 0 0 0 18 11 2 0 0 0 19 11 1 0 0 0 20 13 1 0 0 0 21 13 2 0 0 0 22 23 1 0 0 0 23 25 2 0 0 0 24 8 1 0 0 0 25 21 1 0 0 0 26 20 2 0 0 0 27 22 1 0 0 0 28 19 1 0 0 0 29 27 1 0 0 0 30 29 1 0 0 0 31 29 1 0 0 0 7 10 1 0 0 0 23 26 1 0 0 0 8 12 1 0 0 0 M END > 8.55284196865778 > 6.52287874528034 $$$$ 11280714592D 1 1.00000 0.00000 0 32 32 0 0 0 999 V2000 6.2167 -6.8792 0.0000 C 0 0 3 0 0 0 0 0 0 5.7042 -6.5750 0.0000 S 0 0 3 0 0 0 0 0 0 6.2167 -7.4792 0.0000 C 0 0 3 0 0 0 0 0 0 6.7417 -7.7792 0.0000 C 0 0 3 0 0 0 0 0 0 5.1792 -6.2750 0.0000 N 0 0 3 0 0 0 0 0 0 6.7417 -8.3792 0.0000 C 0 0 3 0 0 0 0 0 0 7.2667 -4.4625 0.0000 N 0 3 0 0 0 0 0 0 0 4.6542 -6.5750 0.0000 C 0 0 0 0 0 0 0 0 0 4.1292 -6.2750 0.0000 C 0 0 0 0 0 0 0 0 0 6.0125 -6.0542 0.0000 O 0 0 0 0 0 0 0 0 0 5.4000 -7.1000 0.0000 O 0 0 0 0 0 0 0 0 0 6.7500 -4.7625 0.0000 C 0 0 0 0 0 0 0 0 0 6.7417 -6.5667 0.0000 F 0 0 0 0 0 0 0 0 0 5.7917 -7.3000 0.0000 F 0 0 0 0 0 0 0 0 0 7.7917 -4.7625 0.0000 O 0 5 0 0 0 0 0 0 0 5.1792 -5.6667 0.0000 C 0 0 0 0 0 0 0 0 0 7.2667 -3.8542 0.0000 O 0 0 0 0 0 0 0 0 0 5.7000 -7.7792 0.0000 F 0 0 0 0 0 0 0 0 0 6.6417 -7.0542 0.0000 F 0 0 0 0 0 0 0 0 0 7.2625 -7.4792 0.0000 F 0 0 0 0 0 0 0 0 0 6.3167 -8.2042 0.0000 F 0 0 0 0 0 0 0 0 0 3.6125 -6.5750 0.0000 O 0 0 0 0 0 0 0 0 0 4.1292 -5.6667 0.0000 N 0 0 0 0 0 0 0 0 0 7.2625 -8.6875 0.0000 F 0 0 0 0 0 0 0 0 0 6.2167 -8.6917 0.0000 F 0 0 0 0 0 0 0 0 0 6.7292 -8.9875 0.0000 F 0 0 0 0 0 0 0 0 0 6.7500 -5.3667 0.0000 C 0 0 0 0 0 0 0 0 0 6.2167 -4.4625 0.0000 C 0 0 0 0 0 0 0 0 0 5.7042 -5.3667 0.0000 C 0 0 0 0 0 0 0 0 0 6.2292 -5.6667 0.0000 C 0 0 0 0 0 0 0 0 0 5.7042 -4.7625 0.0000 C 0 0 0 0 0 0 0 0 0 3.6125 -5.3667 0.0000 O 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 3 1 0 0 0 5 2 1 0 0 0 6 4 1 0 0 0 7 12 1 0 0 0 8 5 1 0 0 0 9 8 1 0 0 0 10 2 2 0 0 0 11 2 2 0 0 0 12 28 1 0 0 0 13 1 1 0 0 0 14 1 1 0 0 0 15 7 1 0 0 0 16 5 1 0 0 0 17 7 2 0 0 0 18 3 1 0 0 0 19 3 1 0 0 0 20 4 1 0 0 0 21 4 1 0 0 0 22 9 2 0 0 0 23 9 1 0 0 0 24 6 1 0 0 0 25 6 1 0 0 0 26 6 1 0 0 0 27 30 1 0 0 0 28 31 2 0 0 0 29 16 1 0 0 0 30 29 2 0 0 0 31 29 1 0 0 0 32 23 1 0 0 0 27 12 2 0 0 0 M CHG 2 7 1 15 -1 M END > 7.92081875395237 > 7.92081875395237 $$$$ 11280715162D 1 1.00000 0.00000 0 26 28 0 1 0 999 V2000 3.2292 0.8333 0.0000 S 0 0 3 0 0 0 0 0 0 2.5167 0.4250 0.0000 N 0 0 3 0 0 0 0 0 0 1.8125 0.8333 0.0000 C 0 0 1 0 0 0 0 0 0 1.0917 0.4208 0.0000 C 0 0 0 0 0 0 0 0 0 4.0250 1.0500 0.0000 O 0 0 0 0 0 0 0 0 0 3.4417 0.0375 0.0000 O 0 0 0 0 0 0 0 0 0 2.5167 -0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 1.0917 -0.4042 0.0000 O 0 0 0 0 0 0 0 0 0 4.6625 -1.6417 0.0000 C 0 0 0 0 0 0 0 0 0 5.3750 -2.0500 0.0000 C 0 0 0 0 0 0 0 0 0 3.2292 1.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0.3792 0.8333 0.0000 N 0 0 0 0 0 0 0 0 0 6.0875 -1.6375 0.0000 C 0 0 0 0 0 0 0 0 0 4.6542 -0.8125 0.0000 C 0 0 0 0 0 0 0 0 0 3.9417 -2.0542 0.0000 C 0 0 0 0 0 0 0 0 0 5.3750 -2.8792 0.0000 C 0 0 0 0 0 0 0 0 0 3.2375 -0.8125 0.0000 C 0 0 0 0 0 0 0 0 0 1.8125 1.6583 0.0000 C 0 0 0 0 0 0 0 0 0 6.8042 -2.8750 0.0000 C 0 0 0 0 0 0 0 0 0 3.9417 -0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 3.2292 -1.6417 0.0000 C 0 0 0 0 0 0 0 0 0 6.0875 -3.2917 0.0000 C 0 0 0 0 0 0 0 0 0 6.8000 -2.0417 0.0000 C 0 0 0 0 0 0 0 0 0 7.5167 -3.2875 0.0000 Cl 0 0 0 0 0 0 0 0 0 0.3792 1.6583 0.0000 O 0 0 0 0 0 0 0 0 0 2.5167 2.0833 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 3 4 1 1 0 0 5 1 2 0 0 0 6 1 2 0 0 0 7 2 1 0 0 0 8 4 2 0 0 0 9 15 2 0 0 0 10 9 1 0 0 0 11 1 1 0 0 0 12 4 1 0 0 0 13 10 1 0 0 0 14 20 2 0 0 0 15 21 1 0 0 0 16 10 2 0 0 0 17 7 1 0 0 0 18 26 1 0 0 0 19 22 2 0 0 0 20 17 1 0 0 0 21 17 2 0 0 0 22 16 1 0 0 0 23 13 2 0 0 0 24 19 1 0 0 0 25 12 1 0 0 0 26 11 1 0 0 0 3 18 1 0 0 0 14 9 1 0 0 0 19 23 1 0 0 0 M END > 8.30102999566398 > 6.49757288001557 $$$$ CDK 9/16/09,10:9 28 29 0 0 0 0 0 0 0 0999 V2000 1.2925 -8.5803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5761 -8.1781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5821 -8.9974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5821 -9.8269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2966 -10.2394 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0157 -9.8269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0157 -8.9974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5662 -7.3532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1333 -8.5992 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8527 -8.1954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2954 -11.0645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5804 -11.4760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0093 -11.4780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0029 -8.1631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9970 -7.3382 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.9892 -6.5131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8219 -7.3313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1720 -7.3451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7022 -6.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6949 -5.2715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9759 -4.8648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2629 -5.2885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2738 -6.1113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9671 -4.0399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6770 -3.6197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3959 -4.0245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1022 -4.4368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8126 -4.8493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 7 1 1 0 0 0 0 14 15 1 0 0 0 0 3 4 1 0 0 0 0 15 16 1 0 0 0 0 2 8 2 0 0 0 0 15 17 2 0 0 0 0 15 18 2 0 0 0 0 2 9 1 0 0 0 0 16 19 2 0 0 0 0 1 2 1 0 0 0 0 19 20 1 0 0 0 0 9 10 1 0 0 0 0 20 21 2 0 0 0 0 3 1 1 0 0 0 0 21 22 1 0 0 0 0 5 11 1 0 0 0 0 22 23 2 0 0 0 0 23 16 1 0 0 0 0 4 5 1 0 0 0 0 21 24 1 0 0 0 0 11 12 2 0 0 0 0 24 25 1 0 0 0 0 5 6 1 0 0 0 0 25 26 1 0 0 0 0 11 13 1 0 0 0 0 26 27 3 0 0 0 0 6 7 1 0 0 0 0 27 28 1 0 0 0 0 M END > 6.80966830182971 > 5.33068311943389 $$$$ 02060813472D 1 1.00000 0.00000 0 35 38 0 0 0 999 V2000 2.6217 -5.7981 0.0000 C 0 0 0 0 0 0 0 0 0 2.6217 -6.6278 0.0000 C 0 0 0 0 0 0 0 0 0 3.3363 -7.0403 0.0000 N 0 0 3 0 0 0 0 0 0 4.0553 -6.6278 0.0000 C 0 0 0 0 0 0 0 0 0 4.0553 -5.7981 0.0000 C 0 0 0 0 0 0 0 0 0 3.3363 -5.3811 0.0000 C 0 0 3 0 0 0 0 0 0 2.6172 -4.9686 0.0000 C 0 0 0 0 0 0 0 0 0 1.9039 -5.3831 0.0000 N 0 0 0 0 0 0 0 0 0 2.6149 -4.1436 0.0000 O 0 0 0 0 0 0 0 0 0 1.1882 -4.9726 0.0000 O 0 0 0 0 0 0 0 0 0 4.0427 -4.9640 0.0000 C 0 0 0 0 0 0 0 0 0 4.7612 -5.3695 0.0000 S 0 0 3 0 0 0 0 0 0 5.4681 -5.7799 0.0000 C 0 0 0 0 0 0 0 0 0 5.1710 -4.6534 0.0000 O 0 0 0 0 0 0 0 0 0 4.3581 -6.0893 0.0000 O 0 0 0 0 0 0 0 0 0 5.4635 -6.5983 0.0000 C 0 0 0 0 0 0 0 0 0 6.1696 -7.0086 0.0000 C 0 0 0 0 0 0 0 0 0 6.8795 -6.6015 0.0000 C 0 0 0 0 0 0 0 0 0 6.8788 -5.7798 0.0000 C 0 0 0 0 0 0 0 0 0 6.1721 -5.3732 0.0000 C 0 0 0 0 0 0 0 0 0 7.5936 -7.0147 0.0000 O 0 0 0 0 0 0 0 0 0 8.3086 -6.6029 0.0000 C 0 0 0 0 0 0 0 0 0 9.0207 -7.0168 0.0000 C 0 0 0 0 0 0 0 0 0 9.7352 -6.6056 0.0000 C 0 0 0 0 0 0 0 0 0 9.7364 -5.7797 0.0000 C 0 0 0 0 0 0 0 0 0 9.0173 -5.3666 0.0000 C 0 0 0 0 0 0 0 0 0 8.3058 -5.7801 0.0000 C 0 0 0 0 0 0 0 0 0 3.3351 -7.8654 0.0000 C 0 0 0 0 0 0 0 0 0 4.0491 -8.2789 0.0000 C 0 0 0 0 0 0 0 0 0 4.0480 -9.1039 0.0000 C 0 0 0 0 0 0 0 0 0 3.3311 -9.5126 0.0000 C 0 0 0 0 0 0 0 0 0 3.3295 -10.3368 0.0000 C 0 0 0 0 0 0 0 0 0 4.0440 -10.7512 0.0000 C 0 0 0 0 0 0 0 0 0 4.7615 -10.3352 0.0000 C 0 0 0 0 0 0 0 0 0 4.7594 -9.5124 0.0000 C 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 17 18 2 0 0 0 7 9 2 0 0 0 18 19 1 0 0 0 2 3 1 0 0 0 19 20 2 0 0 0 20 13 1 0 0 0 8 10 1 0 0 0 18 21 1 0 0 0 3 4 1 0 0 0 21 22 1 0 0 0 6 11 1 0 0 0 22 23 2 0 0 0 4 5 1 0 0 0 23 24 1 0 0 0 11 12 1 0 0 0 24 25 2 0 0 0 5 6 1 0 0 0 25 26 1 0 0 0 12 13 1 0 0 0 26 27 2 0 0 0 27 22 1 0 0 0 3 28 1 0 0 0 12 14 2 0 0 0 28 29 1 0 0 0 6 7 1 0 0 0 29 30 1 0 0 0 12 15 2 0 0 0 30 31 2 0 0 0 1 2 1 0 0 0 31 32 1 0 0 0 13 16 2 0 0 0 32 33 2 0 0 0 7 8 1 0 0 0 33 34 1 0 0 0 16 17 1 0 0 0 34 35 2 0 0 0 35 30 1 0 0 0 M END > 8.95860731484177 > 6.15490195998574 $$$$ 11280715312D 1 1.00000 0.00000 0 31 34 0 1 0 999 V2000 0.4250 -3.3875 0.0000 N 0 0 3 0 0 0 0 0 0 0.4250 -2.7875 0.0000 S 0 0 3 0 0 0 0 0 0 -0.0583 -3.7375 0.0000 C 0 0 2 0 0 0 0 0 0 0.9125 -3.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0.1250 -4.3125 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6333 -3.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0.7250 -4.3125 0.0000 C 0 0 2 0 0 0 0 0 0 1.0792 -4.7917 0.0000 N 0 0 3 0 0 0 0 0 0 0.9417 -2.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0.4167 -2.1875 0.0000 O 0 0 0 0 0 0 0 0 0 -0.1583 -2.6292 0.0000 O 0 0 0 0 0 0 0 0 0 -0.7583 -2.9667 0.0000 O 0 0 0 0 0 0 0 0 0 -1.0750 -3.9542 0.0000 N 0 0 0 0 0 0 0 0 0 0.9417 -1.8875 0.0000 C 0 0 0 0 0 0 0 0 0 1.4667 -2.7875 0.0000 C 0 0 0 0 0 0 0 0 0 1.7792 -5.7667 0.0000 O 0 0 0 0 0 0 0 0 0 2.5042 -1.5875 0.0000 O 0 0 0 0 0 0 0 0 0 1.9875 -1.8875 0.0000 C 0 0 0 0 0 0 0 0 0 1.9875 -2.4875 0.0000 C 0 0 0 0 0 0 0 0 0 1.4625 -1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 3.0250 -1.8792 0.0000 C 0 0 0 0 0 0 0 0 0 -1.6458 -3.7667 0.0000 O 0 0 0 0 0 0 0 0 0 1.6750 -4.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0.8292 -5.3417 0.0000 C 0 0 0 0 0 0 0 0 0 1.1792 -5.8250 0.0000 C 0 0 0 0 0 0 0 0 0 2.0250 -5.2167 0.0000 C 0 0 0 0 0 0 0 0 0 3.5375 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 3.0167 -2.4792 0.0000 C 0 0 0 0 0 0 0 0 0 3.5417 -2.7792 0.0000 C 0 0 0 0 0 0 0 0 0 4.0542 -1.8750 0.0000 C 0 0 0 0 0 0 0 0 0 4.0625 -2.4792 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 1 1 0 0 0 3 5 1 6 0 0 6 3 1 0 0 0 7 4 1 0 0 0 7 8 1 1 0 0 9 2 1 0 0 0 10 2 2 0 0 0 11 2 2 0 0 0 12 6 2 0 0 0 13 6 1 0 0 0 14 9 1 0 0 0 15 9 2 0 0 0 16 25 1 0 0 0 17 18 1 0 0 0 18 19 2 0 0 0 19 15 1 0 0 0 20 14 2 0 0 0 21 17 1 0 0 0 22 13 1 0 0 0 23 8 1 0 0 0 24 8 1 0 0 0 25 24 1 0 0 0 26 23 1 0 0 0 27 21 1 0 0 0 28 21 2 0 0 0 29 28 1 0 0 0 30 27 2 0 0 0 31 29 2 0 0 0 7 5 1 0 0 0 18 20 1 0 0 0 16 26 1 0 0 0 30 31 1 0 0 0 M END > 9.39794000867204 > 7.72124639904717 $$$$ SciTegic11161115462D 31 33 0 0 0 0 999 V2000 -3.8929 -11.1753 0.0000 C 0 0 -4.6091 -11.5867 0.0000 C 0 0 -4.6108 -12.4081 0.0000 C 0 0 -3.8981 -12.8243 0.0000 O 0 0 -3.1819 -12.4129 0.0000 C 0 0 -3.1785 -11.5853 0.0000 C 0 0 -3.1785 -10.7626 0.0000 S 0 0 -2.7662 -10.0481 0.0000 O 0 0 -3.5912 -10.0483 0.0000 O 0 0 -2.4639 -11.1750 0.0000 C 0 0 -2.4651 -12.0023 0.0000 C 0 0 -1.7503 -12.4152 0.0000 C 0 0 -1.0338 -12.0019 0.0000 C 0 0 -1.0367 -11.1713 0.0000 C 0 0 -1.7521 -10.7622 0.0000 C 0 0 -0.3187 -12.4132 0.0000 O 0 0 -4.6074 -10.7630 0.0000 C 0 0 -4.6076 -9.9380 0.0000 O 0 0 -5.3218 -11.1756 0.0000 N 0 0 -6.0386 -10.7633 0.0000 O 0 0 0.3951 -11.9996 0.0000 C 0 0 1.1069 -12.4114 0.0000 C 0 0 1.8202 -11.9985 0.0000 C 0 0 1.8194 -11.1726 0.0000 C 0 0 1.0992 -10.7614 0.0000 C 0 0 0.3888 -11.1767 0.0000 C 0 0 2.5326 -10.7580 0.0000 O 0 0 3.2483 -11.1685 0.0000 C 0 0 3.9616 -10.7539 0.0000 F 0 0 3.2507 -11.9935 0.0000 F 0 0 3.9583 -11.5792 0.0000 F 0 0 13 16 1 0 10 7 1 0 7 1 1 0 1 2 1 0 1 17 1 0 1 6 1 0 17 18 2 0 2 3 1 0 17 19 1 0 3 4 1 0 19 20 1 0 10 11 2 0 16 21 1 0 4 5 1 0 21 22 2 0 11 12 1 0 22 23 1 0 5 6 1 0 23 24 2 0 12 13 2 0 24 25 1 0 8 7 2 0 25 26 2 0 26 21 1 0 13 14 1 0 24 27 1 0 7 9 2 0 27 28 1 0 14 15 2 0 28 29 1 0 15 10 1 0 28 30 1 0 28 31 1 0 M END > 10 > 5.94309514866353 $$$$ 11290715552D 1 1.00000 0.00000 0 25 26 0 1 0 999 V2000 12.5971 -12.8440 0.0000 N 0 0 0 0 0 0 0 0 0 13.3081 -12.4255 0.0000 C 0 0 1 0 0 0 0 0 0 13.3011 -11.6006 0.0000 C 0 0 3 0 0 0 0 0 0 14.0121 -11.1821 0.0000 C 0 0 0 0 0 0 0 0 0 12.5832 -11.1941 0.0000 C 0 0 0 0 0 0 0 0 0 14.0260 -12.8320 0.0000 P 0 0 3 0 0 0 0 0 0 14.6083 -13.4125 0.0000 O 0 0 0 0 0 0 0 0 0 14.5249 -12.1750 0.0000 O 0 0 0 0 0 0 0 0 0 13.5300 -13.4913 0.0000 O 0 0 0 0 0 0 0 0 0 11.8792 -12.4375 0.0000 S 0 0 3 0 0 0 0 0 0 11.1625 -12.0250 0.0000 C 0 0 0 0 0 0 0 0 0 11.4701 -13.1540 0.0000 O 0 0 0 0 0 0 0 0 0 12.2899 -11.7220 0.0000 O 0 0 0 0 0 0 0 0 0 11.1642 -11.1928 0.0000 C 0 0 0 0 0 0 0 0 0 10.4484 -10.7804 0.0000 C 0 0 0 0 0 0 0 0 0 9.7318 -11.1949 0.0000 C 0 0 0 0 0 0 0 0 0 9.7356 -12.0261 0.0000 C 0 0 0 0 0 0 0 0 0 10.4520 -12.4347 0.0000 C 0 0 0 0 0 0 0 0 0 9.0162 -10.7843 0.0000 C 0 0 0 0 0 0 0 0 0 9.0164 -9.9550 0.0000 C 0 0 0 0 0 0 0 0 0 8.3017 -9.5445 0.0000 C 0 0 0 0 0 0 0 0 0 7.5873 -9.9589 0.0000 C 0 0 0 0 0 0 0 0 0 7.5922 -10.7882 0.0000 C 0 0 0 0 0 0 0 0 0 8.3075 -11.1950 0.0000 C 0 0 0 0 0 0 0 0 0 6.8712 -9.5493 0.0000 Cl 0 0 0 0 0 0 0 0 0 10 13 2 0 0 0 6 7 2 0 0 0 11 14 2 0 0 0 3 4 1 0 0 0 14 15 1 0 0 0 6 8 1 0 0 0 15 16 2 0 0 0 16 17 1 0 0 0 6 9 1 0 0 0 17 18 2 0 0 0 18 11 1 0 0 0 3 5 1 0 0 0 16 19 1 0 0 0 1 10 1 0 0 0 19 20 2 0 0 0 2 3 1 1 0 0 20 21 1 0 0 0 10 11 1 0 0 0 21 22 2 0 0 0 2 6 1 0 0 0 22 23 1 0 0 0 10 12 2 0 0 0 23 24 2 0 0 0 24 19 1 0 0 0 1 2 1 0 0 0 22 25 1 0 0 0 M END > 8.27572413039921 > 7.11350927482752 $$$$ 11280715052D 1 1.00000 0.00000 0 30 32 0 0 0 999 V2000 2.8292 -5.2625 0.0000 S 0 0 3 0 0 0 0 0 0 0.7375 -5.8917 0.0000 C 0 0 0 0 0 0 0 0 0 2.0042 -5.2292 0.0000 N 0 0 3 0 0 0 0 0 0 1.5667 -5.9292 0.0000 C 0 0 0 0 0 0 0 0 0 1.9500 -6.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0.3500 -5.1667 0.0000 C 0 0 0 0 0 0 0 0 0 3.6542 -5.2625 0.0000 C 0 0 0 0 0 0 0 0 0 3.2667 -4.5625 0.0000 O 0 0 0 0 0 0 0 0 0 3.2125 -5.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0.3000 -6.5917 0.0000 C 0 0 0 0 0 0 0 0 0 1.5042 -7.3542 0.0000 C 0 0 0 0 0 0 0 0 0 6.1167 -5.2542 0.0000 S 0 0 0 0 0 0 0 0 0 0.7917 -4.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0.6792 -7.3250 0.0000 C 0 0 0 0 0 0 0 0 0 -0.4750 -5.1375 0.0000 N 0 0 0 0 0 0 0 0 0 4.0542 -4.5500 0.0000 C 0 0 0 0 0 0 0 0 0 4.0625 -5.9750 0.0000 C 0 0 0 0 0 0 0 0 0 5.2917 -5.2542 0.0000 C 0 0 0 0 0 0 0 0 0 1.6167 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 6.5292 -5.9667 0.0000 C 0 0 0 0 0 0 0 0 0 4.8792 -4.5417 0.0000 C 0 0 0 0 0 0 0 0 0 4.8792 -5.9667 0.0000 C 0 0 0 0 0 0 0 0 0 -0.9125 -5.8375 0.0000 O 0 0 0 0 0 0 0 0 0 2.7750 -6.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0.2417 -8.0167 0.0000 C 0 0 0 0 0 0 0 0 0 7.3625 -5.9667 0.0000 C 0 0 0 0 0 0 0 0 0 6.1292 -6.6875 0.0000 C 0 0 0 0 0 0 0 0 0 7.7792 -6.6792 0.0000 C 0 0 0 0 0 0 0 0 0 6.5417 -7.4042 0.0000 C 0 0 0 0 0 0 0 0 0 7.3667 -7.3917 0.0000 C 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 3 1 1 0 0 0 4 3 1 0 0 0 5 4 2 0 0 0 6 2 1 0 0 0 7 1 1 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 2 2 0 0 0 11 5 1 0 0 0 12 18 1 0 0 0 13 6 2 0 0 0 14 11 2 0 0 0 15 6 1 0 0 0 16 7 1 0 0 0 17 7 2 0 0 0 18 22 2 0 0 0 19 3 1 0 0 0 20 12 1 0 0 0 21 16 2 0 0 0 22 17 1 0 0 0 23 15 1 0 0 0 24 5 1 0 0 0 25 14 1 0 0 0 26 20 1 0 0 0 27 20 2 0 0 0 28 26 2 0 0 0 29 27 1 0 0 0 30 29 2 0 0 0 21 18 1 0 0 0 10 14 1 0 0 0 30 28 1 0 0 0 M END > 8.52287874528034 > 5.88140463477624 $$$$ 11280715442D 1 1.00000 0.00000 0 35 37 0 0 0 999 V2000 -0.3625 0.3500 0.0000 S 0 0 3 0 0 0 0 0 0 -0.3875 -0.4750 0.0000 N 0 0 3 0 0 0 0 0 0 -1.0625 -0.9167 0.0000 C 0 0 3 0 0 0 0 0 0 -0.5250 -2.2917 0.0000 N 0 0 3 0 0 0 0 0 0 0.6875 -1.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0.2792 -2.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0.4000 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1333 -1.7375 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7625 -0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7750 -3.0750 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3458 1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 1.5000 -1.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0.4542 0.3250 0.0000 O 0 0 0 0 0 0 0 0 0 -1.1833 0.3833 0.0000 O 0 0 0 0 0 0 0 0 0 1.9042 -2.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0.4917 4.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0.5167 5.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0.6792 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 2.7167 -2.1792 0.0000 N 0 0 3 0 0 0 0 0 0 -1.7625 0.3083 0.0000 O 0 0 0 0 0 0 0 0 0 1.5000 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2250 -3.6792 0.0000 O 0 0 0 0 0 0 0 0 0 -2.4750 -0.9125 0.0000 N 0 0 0 0 0 0 0 0 0 0.3917 1.5583 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0208 1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2833 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0.4167 2.3833 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0083 2.4125 0.0000 C 0 0 0 0 0 0 0 0 0 -3.1708 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0.4625 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2500 3.6208 0.0000 O 0 0 0 0 0 0 0 0 0 -1.5625 -3.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0.5375 6.4417 0.0000 C 0 0 0 0 0 0 0 0 0 3.1292 -1.4792 0.0000 C 0 0 0 0 0 0 0 0 0 3.1292 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 8 1 0 0 0 5 7 1 0 0 0 6 5 2 0 0 0 7 2 1 0 0 0 8 3 1 0 0 0 9 3 1 0 0 0 10 4 1 0 0 0 11 1 1 0 0 0 12 5 1 0 0 0 13 1 2 0 0 0 14 1 2 0 0 0 15 12 2 0 0 0 16 30 1 0 0 0 17 16 3 0 0 0 18 6 1 0 0 0 19 15 1 0 0 0 20 9 2 0 0 0 21 15 1 0 0 0 22 10 2 0 0 0 23 9 1 0 0 0 24 11 2 0 0 0 25 11 1 0 0 0 26 28 1 0 0 0 27 24 1 0 0 0 28 25 2 0 0 0 29 23 1 0 0 0 30 31 1 0 0 0 31 26 1 0 0 0 32 10 1 0 0 0 33 17 1 0 0 0 34 19 1 0 0 0 35 19 1 0 0 0 27 26 2 0 0 0 4 6 1 0 0 0 18 21 2 0 0 0 M END > 7.76955107862173 > 6.16621562534352 $$$$ 11280715212D 1 1.00000 0.00000 0 19 19 0 0 0 999 V2000 1.6500 1.2375 0.0000 S 0 0 3 0 0 0 0 0 0 0.2167 1.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0.9292 1.6625 0.0000 N 0 0 0 0 0 0 0 0 0 -0.5000 1.6625 0.0000 C 0 0 0 0 0 0 0 0 0 2.3667 0.8125 0.0000 C 0 0 0 0 0 0 0 0 0 1.2250 0.5208 0.0000 O 0 0 0 0 0 0 0 0 0 2.0667 1.9583 0.0000 O 0 0 0 0 0 0 0 0 0 -0.5000 2.4958 0.0000 O 0 0 0 0 0 0 0 0 0 -1.2125 1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 2.3667 -0.0167 0.0000 C 0 0 0 0 0 0 0 0 0 3.0792 1.2250 0.0000 C 0 0 0 0 0 0 0 0 0 3.8000 -0.0167 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5000 0.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0.9292 0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 3.8000 0.8125 0.0000 C 0 0 0 0 0 0 0 0 0 3.0792 -0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 -1.2125 0.4208 0.0000 O 0 0 0 0 0 0 0 0 0 4.5167 -0.4375 0.0000 O 0 0 0 0 0 0 0 0 0 4.5167 -1.2667 0.0000 C 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 3 1 1 0 0 0 4 2 1 0 0 0 5 1 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 4 2 0 0 0 9 4 1 0 0 0 10 5 2 0 0 0 11 5 1 0 0 0 12 15 1 0 0 0 13 2 1 0 0 0 14 2 1 0 0 0 15 11 2 0 0 0 16 10 1 0 0 0 17 9 1 0 0 0 18 12 1 0 0 0 19 18 1 0 0 0 12 16 2 0 0 0 M END > 7.76955107862173 > 7 $$$$ 11280715052D 1 1.00000 0.00000 0 38 41 0 0 0 999 V2000 2.1792 -6.2042 0.0000 S 0 0 3 0 0 0 0 0 0 1.3542 -6.1667 0.0000 N 0 0 3 0 0 0 0 0 0 0.0917 -6.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0.9167 -6.8667 0.0000 C 0 0 0 0 0 0 0 0 0 1.3042 -7.6042 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2958 -6.1042 0.0000 C 0 0 0 0 0 0 0 0 0 3.0042 -6.2042 0.0000 C 0 0 0 0 0 0 0 0 0 2.6167 -5.5042 0.0000 O 0 0 0 0 0 0 0 0 0 2.5667 -6.9292 0.0000 O 0 0 0 0 0 0 0 0 0 -0.3458 -7.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0.9750 -5.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0.8625 -8.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0.1500 -5.4042 0.0000 O 0 0 0 0 0 0 0 0 0 0.0375 -8.2667 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1208 -6.0792 0.0000 N 0 0 0 0 0 0 0 0 0 3.4167 -6.9167 0.0000 C 0 0 0 0 0 0 0 0 0 3.4125 -5.4917 0.0000 C 0 0 0 0 0 0 0 0 0 4.6500 -6.2000 0.0000 C 0 0 0 0 0 0 0 0 0 1.4167 -4.7417 0.0000 C 0 0 0 0 0 0 0 0 0 4.2375 -6.9125 0.0000 C 0 0 0 0 0 0 0 0 0 4.2292 -5.4875 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5583 -6.7792 0.0000 O 0 0 0 0 0 0 0 0 0 2.1292 -7.6375 0.0000 C 0 0 0 0 0 0 0 0 0 5.4750 -6.1917 0.0000 O 0 0 0 0 0 0 0 0 0 5.8875 -6.9125 0.0000 C 0 0 0 0 0 0 0 0 0 5.8917 -8.3417 0.0000 C 0 0 0 0 0 0 0 0 0 -0.4083 -8.9625 0.0000 C 0 0 0 0 0 0 0 0 0 5.4792 -7.6250 0.0000 C 0 0 0 0 0 0 0 0 0 2.2417 -4.7792 0.0000 C 0 0 0 0 0 0 0 0 0 1.0292 -4.0167 0.0000 C 0 0 0 0 0 0 0 0 0 5.4792 -9.0542 0.0000 C 0 0 0 0 0 0 0 0 0 6.7125 -8.3292 0.0000 C 0 0 0 0 0 0 0 0 0 1.4667 -3.3167 0.0000 C 0 0 0 0 0 0 0 0 0 5.8917 -9.7667 0.0000 C 0 0 0 0 0 0 0 0 0 7.1292 -9.0417 0.0000 C 0 0 0 0 0 0 0 0 0 2.6792 -4.0792 0.0000 C 0 0 0 0 0 0 0 0 0 2.2917 -3.3500 0.0000 C 0 0 0 0 0 0 0 0 0 6.7167 -9.7667 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 4 1 0 0 0 4 2 1 0 0 0 5 4 2 0 0 0 6 3 1 0 0 0 7 1 1 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 3 2 0 0 0 11 2 1 0 0 0 12 5 1 0 0 0 13 6 2 0 0 0 14 12 2 0 0 0 15 6 1 0 0 0 16 7 2 0 0 0 17 7 1 0 0 0 18 21 1 0 0 0 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0.0000 O 0 0 0 0 0 0 0 0 0 1.7542 0.1208 0.0000 O 0 0 0 0 0 0 0 0 0 -0.0833 0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 2.4042 -2.6792 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7833 0.4083 0.0000 O 0 0 0 0 0 0 0 0 0 0.6167 2.8958 0.0000 N 0 0 0 0 0 0 0 0 0 -1.5000 -0.8292 0.0000 N 0 0 0 0 0 0 0 0 0 -0.0875 1.6458 0.0000 C 0 0 0 0 0 0 0 0 0 2.7667 0.8125 0.0000 C 0 0 0 0 0 0 0 0 0 2.0667 2.0583 0.0000 C 0 0 0 0 0 0 0 0 0 3.5000 2.0458 0.0000 C 0 0 0 0 0 0 0 0 0 2.3792 0.2250 0.0000 C 0 0 0 0 0 0 0 0 0 3.4917 1.2208 0.0000 C 0 0 0 0 0 0 0 0 0 2.7875 2.4625 0.0000 C 0 0 0 0 0 0 0 0 0 -2.2125 -0.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0.6292 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 4.2125 2.4583 0.0000 O 0 0 0 0 0 0 0 0 0 -0.0958 3.2958 0.0000 C 0 0 0 0 0 0 0 0 0 3.2125 -2.8417 0.0000 C 0 0 0 0 0 0 0 0 0 1.8542 -3.2917 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8000 2.0500 0.0000 C 0 0 0 0 0 0 0 0 0 4.9292 2.0583 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8083 2.8708 0.0000 C 0 0 0 0 0 0 0 0 0 2.1167 -4.0792 0.0000 C 0 0 0 0 0 0 0 0 0 3.4750 -3.6250 0.0000 C 0 0 0 0 0 0 0 0 0 2.9250 -4.2417 0.0000 C 0 0 0 0 0 0 0 0 0 2 6 2 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 8 2 0 0 0 6 7 1 0 0 0 7 1 1 0 0 0 8 2 1 0 0 0 9 6 1 0 0 0 10 12 1 0 0 0 11 9 1 0 0 0 12 9 2 0 0 0 13 1 1 0 0 0 14 1 2 0 0 0 15 1 2 0 0 0 16 7 1 0 0 0 17 4 1 0 0 0 18 11 2 0 0 0 19 29 1 0 0 0 20 11 1 0 0 0 21 16 1 0 0 0 22 13 2 0 0 0 23 13 1 0 0 0 24 27 1 0 0 0 25 8 1 0 0 0 26 22 1 0 0 0 27 23 2 0 0 0 28 20 1 0 0 0 29 21 2 0 0 0 30 24 1 0 0 0 31 36 1 0 0 0 32 17 1 0 0 0 33 17 2 0 0 0 34 21 1 0 0 0 35 30 1 0 0 0 36 34 2 0 0 0 37 33 1 0 0 0 38 32 2 0 0 0 39 37 2 0 0 0 24 26 2 0 0 0 10 3 2 0 0 0 5 4 1 0 0 0 31 19 2 0 0 0 39 38 1 0 0 0 M END > 8.52287874528034 > 6.93930215964639 $$$$ 11280715442D 1 1.00000 0.00000 0 37 40 0 0 0 999 V2000 0.2042 0.6083 0.0000 S 0 0 3 0 0 0 0 0 0 0.1792 -0.1667 0.0000 N 0 0 3 0 0 0 0 0 0 0.0542 -1.9042 0.0000 N 0 0 3 0 0 0 0 0 0 -0.4500 -0.6000 0.0000 C 0 0 3 0 0 0 0 0 0 -0.1833 -2.6417 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5208 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0.9292 -0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0.8167 -1.7917 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1208 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 1.2042 -1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 -0.9333 -2.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0.2292 1.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0.9792 0.5833 0.0000 O 0 0 0 0 0 0 0 0 0 -0.5625 0.6458 0.0000 O 0 0 0 0 0 0 0 0 0 1.0167 4.8417 0.0000 C 0 0 0 0 0 0 0 0 0 1.0417 5.6167 0.0000 C 0 0 0 0 0 0 0 0 0 -1.4583 -2.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0.3375 -3.2167 0.0000 O 0 0 0 0 0 0 0 0 0 -1.1208 0.5708 0.0000 O 0 0 0 0 0 0 0 0 0 -1.7958 -0.5917 0.0000 N 0 0 0 0 0 0 0 0 0 -1.9125 -3.7167 0.0000 N 0 0 0 0 0 0 0 0 0 0.9250 1.7583 0.0000 C 0 0 0 0 0 0 0 0 0 -0.4208 1.7958 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1625 -3.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0.2917 2.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0.9417 2.5333 0.0000 C 0 0 0 0 0 0 0 0 0 -0.4000 2.5708 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4583 -0.1917 0.0000 O 0 0 0 0 0 0 0 0 0 1.9792 -1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0.9917 4.0667 0.0000 C 0 0 0 0 0 0 0 0 0 1.2000 -2.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0.3167 3.7083 0.0000 O 0 0 0 0 0 0 0 0 0 1.0625 6.4000 0.0000 C 0 0 0 0 0 0 0 0 0 -2.2125 -2.4042 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4458 -3.1417 0.0000 C 0 0 0 0 0 0 0 0 0 2.3625 -1.7917 0.0000 C 0 0 0 0 0 0 0 0 0 1.9750 -2.4667 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 6 1 0 0 0 4 2 1 0 0 0 5 3 1 0 0 0 6 4 1 0 0 0 7 2 1 0 0 0 8 10 2 0 0 0 9 4 1 0 0 0 10 7 1 0 0 0 11 5 1 0 0 0 12 1 1 0 0 0 13 1 2 0 0 0 14 1 2 0 0 0 15 30 1 0 0 0 16 15 3 0 0 0 17 11 2 0 0 0 18 5 2 0 0 0 19 9 2 0 0 0 20 9 1 0 0 0 21 24 2 0 0 0 22 12 2 0 0 0 23 12 1 0 0 0 24 11 1 0 0 0 25 27 1 0 0 0 26 22 1 0 0 0 27 23 2 0 0 0 28 20 1 0 0 0 29 10 1 0 0 0 30 32 1 0 0 0 31 8 1 0 0 0 32 25 1 0 0 0 33 16 1 0 0 0 34 17 1 0 0 0 35 21 1 0 0 0 36 29 2 0 0 0 37 36 1 0 0 0 26 25 2 0 0 0 3 8 1 0 0 0 31 37 2 0 0 0 34 35 2 0 0 0 M END > 7.69897000433602 > 6.44855000202713 $$$$ SciTegic08041117222D 35 38 0 0 0 0 999 V2000 0.4459 -9.1000 0.0000 C 0 0 0.4459 -9.9250 0.0000 C 0 0 1.1579 -10.3333 0.0000 O 0 0 1.8699 -9.9250 0.0000 C 0 0 1.8699 -9.1000 0.0000 C 0 0 1.1579 -8.6833 0.0000 C 0 0 0.4185 -8.2973 0.0000 C 0 0 -0.2774 -8.7405 0.0000 N 0 0 0.3826 -7.4731 0.0000 O 0 0 -1.0091 -8.3595 0.0000 O 0 0 1.8667 -8.2667 0.0000 S 0 0 2.5844 -8.6736 0.0000 C 0 0 2.2750 -7.5500 0.0000 O 0 0 1.2792 -7.6792 0.0000 O 0 0 2.5870 -9.4969 0.0000 C 0 0 3.3039 -9.9037 0.0000 C 0 0 4.0161 -9.4856 0.0000 C 0 0 4.0069 -8.6564 0.0000 C 0 0 3.2895 -8.2533 0.0000 C 0 0 4.7343 -9.8915 0.0000 O 0 0 5.4450 -9.4725 0.0000 C 0 0 6.1632 -9.8785 0.0000 C 0 0 6.8734 -9.4601 0.0000 C 0 0 7.5933 -9.8631 0.0000 N 0 0 7.6927 -10.6817 0.0000 N 0 0 8.5017 -10.8432 0.0000 C 0 0 8.9054 -10.1236 0.0000 N 0 0 8.3458 -9.5175 0.0000 N 0 0 8.7870 -11.6174 0.0000 C 0 0 8.2575 -12.2507 0.0000 C 0 0 8.5424 -13.0242 0.0000 C 0 0 9.3562 -13.1646 0.0000 C 0 0 9.8845 -12.5254 0.0000 C 0 0 9.5968 -11.7545 0.0000 N 0 0 9.6427 -13.9382 0.0000 C 0 0 1 6 1 0 17 18 1 0 7 9 2 0 18 19 2 0 19 12 1 0 2 3 1 0 17 20 1 0 8 10 1 0 20 21 1 0 3 4 1 0 21 22 1 0 6 11 1 0 22 23 1 0 4 5 1 0 23 24 1 0 24 25 1 0 11 12 1 0 5 6 1 0 11 13 2 0 25 26 2 0 26 27 1 0 27 28 2 0 28 24 1 0 11 14 2 0 26 29 1 0 6 7 1 0 29 30 2 0 12 15 2 0 30 31 1 0 1 2 1 0 31 32 2 0 15 16 1 0 32 33 1 0 7 8 1 0 33 34 2 0 34 29 1 0 16 17 2 0 32 35 1 0 M END > 9.18045606445813 > 5.43179827593301 $$$$ 11280715202D 1 1.00000 0.00000 0 34 36 0 1 0 999 V2000 0.9000 -0.5167 0.0000 S 0 0 3 0 0 0 0 0 0 0.8917 0.3083 0.0000 N 0 0 3 0 0 0 0 0 0 1.6042 0.7333 0.0000 C 0 0 2 0 0 0 0 0 0 0.8792 1.9708 0.0000 N 0 0 3 0 0 0 0 0 0 1.6042 1.5583 0.0000 C 0 0 1 0 0 0 0 0 0 0.8792 2.7958 0.0000 C 0 0 0 0 0 0 0 0 0 2.3167 0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0.1667 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0.1667 1.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0.9042 -1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 1.6167 -0.1042 0.0000 O 0 0 0 0 0 0 0 0 0 0.1875 -0.1042 0.0000 O 0 0 0 0 0 0 0 0 0 1.5875 3.2083 0.0000 O 0 0 0 0 0 0 0 0 0 2.3375 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 3.0417 0.7458 0.0000 N 0 0 0 0 0 0 0 0 0 1.6167 -5.0542 0.0000 C 0 0 0 0 0 0 0 0 0 1.6167 -4.2292 0.0000 C 0 0 0 0 0 0 0 0 0 1.6167 -1.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0.1917 -1.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0.9042 -5.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0.9042 -3.8167 0.0000 O 0 0 0 0 0 0 0 0 0 0.1542 3.1958 0.0000 O 0 0 0 0 0 0 0 0 0 0.9042 -2.9917 0.0000 C 0 0 0 0 0 0 0 0 0 2.3167 1.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0.1917 -2.5792 0.0000 C 0 0 0 0 0 0 0 0 0 1.6167 -2.5792 0.0000 C 0 0 0 0 0 0 0 0 0 3.7625 0.3333 0.0000 O 0 0 0 0 0 0 0 0 0 2.3292 -5.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0.1917 -5.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0.9042 -6.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0.1542 4.0167 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5625 4.4292 0.0000 C 0 0 0 0 0 0 0 0 0 1.6167 -6.7042 0.0000 C 0 0 0 0 0 0 0 0 0 2.3292 -6.2792 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 9 1 0 0 0 5 3 1 0 0 0 6 4 1 0 0 0 3 7 1 6 0 0 8 2 1 0 0 0 9 8 1 0 0 0 10 1 1 0 0 0 11 1 2 0 0 0 12 1 2 0 0 0 13 6 2 0 0 0 14 7 2 0 0 0 15 7 1 0 0 0 16 17 1 0 0 0 17 21 1 0 0 0 18 10 2 0 0 0 19 10 1 0 0 0 20 16 2 0 0 0 21 23 1 0 0 0 22 6 1 0 0 0 23 25 1 0 0 0 5 24 1 1 0 0 25 19 2 0 0 0 26 18 1 0 0 0 27 15 1 0 0 0 28 16 1 0 0 0 29 20 1 0 0 0 30 20 1 0 0 0 31 22 1 0 0 0 32 31 1 0 0 0 33 34 1 0 0 0 34 28 2 0 0 0 23 26 2 0 0 0 5 4 1 0 0 0 30 33 2 0 0 0 M END > 8.22184874961636 > 5.82390874094432 $$$$ 11280715512D 1 1.00000 0.00000 0 30 31 0 1 0 999 V2000 4.9781 -2.2834 0.0000 C 0 0 0 0 0 0 0 0 0 4.9769 -3.1098 0.0000 C 0 0 0 0 0 0 0 0 0 5.6908 -3.5221 0.0000 C 0 0 0 0 0 0 0 0 0 6.4064 -3.1093 0.0000 C 0 0 0 0 0 0 0 0 0 6.4035 -2.2798 0.0000 C 0 0 0 0 0 0 0 0 0 5.6890 -1.8711 0.0000 C 0 0 0 0 0 0 0 0 0 4.2588 -3.5337 0.0000 S 0 0 3 0 0 0 0 0 0 3.5354 -3.9563 0.0000 N 0 0 3 0 0 0 0 0 0 4.6837 -4.2535 0.0000 O 0 0 0 0 0 0 0 0 0 3.8315 -2.8127 0.0000 O 0 0 0 0 0 0 0 0 0 2.8119 -3.5509 0.0000 C 0 0 2 0 0 0 0 0 0 2.1031 -3.9702 0.0000 C 0 0 3 0 0 0 0 0 0 2.1117 -4.8006 0.0000 S 0 0 0 0 0 0 0 0 0 2.8437 -5.2017 0.0000 C 0 0 2 0 0 0 0 0 0 3.5502 -4.7851 0.0000 C 0 0 0 0 0 0 0 0 0 2.7968 -2.7270 0.0000 C 0 0 0 0 0 0 0 0 0 3.4986 -2.3028 0.0000 O 0 0 0 0 0 0 0 0 0 2.0716 -2.3231 0.0000 N 0 0 0 0 0 0 0 0 0 2.0607 -1.4992 0.0000 O 0 0 0 0 0 0 0 0 0 7.1204 -1.8590 0.0000 O 0 0 0 0 0 0 0 0 0 7.8339 -2.2764 0.0000 C 0 0 0 0 0 0 0 0 0 7.8238 -3.1013 0.0000 C 0 0 0 0 0 0 0 0 0 7.8196 -3.9314 0.0000 C 0 0 0 0 0 0 0 0 0 7.8105 -4.7629 0.0000 C 0 0 0 0 0 0 0 0 0 1.8875 -3.1740 0.0000 C 0 0 0 0 0 0 0 0 0 1.2799 -3.9230 0.0000 C 0 0 0 0 0 0 0 0 0 2.8579 -6.0274 0.0000 C 0 0 0 0 0 0 0 0 0 2.1506 -6.4521 0.0000 C 0 0 0 0 0 0 0 0 0 1.4275 -6.0550 0.0000 O 0 0 0 0 0 0 0 0 0 2.1632 -7.2800 0.0000 O 0 0 0 0 0 0 0 0 0 14 15 1 0 0 0 3 4 2 0 0 0 11 16 1 0 0 0 7 8 1 0 0 0 16 17 2 0 0 0 16 18 1 0 0 0 7 9 2 0 0 0 18 19 1 0 0 0 4 5 1 0 0 0 5 20 1 0 0 0 7 10 2 0 0 0 20 21 1 0 0 0 8 11 1 0 0 0 21 22 1 0 0 0 2 3 1 0 0 0 22 23 3 0 0 0 5 6 2 0 0 0 23 24 1 0 0 0 6 1 1 0 0 0 12 25 1 0 0 0 1 2 2 0 0 0 12 26 1 0 0 0 2 7 1 0 0 0 8 15 1 0 0 0 11 12 1 6 0 0 14 27 1 6 0 0 27 28 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 28 29 1 0 0 0 28 30 2 0 0 0 M END > 8.15490195998574 > 7.76955107862173 $$$$ 11280715332D 1 1.00000 0.00000 0 26 27 0 1 0 999 V2000 5.8167 -3.1250 0.0000 S 0 0 3 0 0 0 0 0 0 6.1042 -3.9042 0.0000 N 0 0 3 0 0 0 0 0 0 5.5792 -4.5375 0.0000 C 0 0 1 0 0 0 0 0 0 4.7542 -4.4917 0.0000 C 0 0 0 0 0 0 0 0 0 6.8667 -4.2125 0.0000 C 0 0 0 0 0 0 0 0 0 6.8125 -5.0375 0.0000 C 0 0 0 0 0 0 0 0 0 6.0167 -5.2292 0.0000 C 0 0 0 0 0 0 0 0 0 6.6000 -2.8375 0.0000 C 0 0 0 0 0 0 0 0 0 5.5292 -2.3417 0.0000 O 0 0 0 0 0 0 0 0 0 5.0417 -3.4125 0.0000 O 0 0 0 0 0 0 0 0 0 7.4375 -5.5750 0.0000 N 0 0 0 0 0 0 0 0 0 4.3792 -3.7542 0.0000 O 0 0 0 0 0 0 0 0 0 4.3000 -5.1875 0.0000 N 0 0 0 0 0 0 0 0 0 7.2292 -3.3625 0.0000 C 0 0 0 0 0 0 0 0 0 6.7417 -2.0250 0.0000 C 0 0 0 0 0 0 0 0 0 8.1417 -2.2667 0.0000 C 0 0 0 0 0 0 0 0 0 7.5125 -1.7417 0.0000 C 0 0 0 0 0 0 0 0 0 8.0000 -3.0792 0.0000 C 0 0 0 0 0 0 0 0 0 8.2125 -5.3042 0.0000 O 0 0 0 0 0 0 0 0 0 3.4750 -5.1417 0.0000 O 0 0 0 0 0 0 0 0 0 8.9292 -1.9875 0.0000 O 0 0 0 0 0 0 0 0 0 9.5625 -2.5167 0.0000 C 0 0 0 0 0 0 0 0 0 8.8417 -5.8417 0.0000 C 0 0 0 0 0 0 0 0 0 10.3292 -2.2417 0.0000 C 0 0 0 0 0 0 0 0 0 10.9667 -2.7750 0.0000 C 0 0 0 0 0 0 0 0 0 11.7375 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 2 1 0 0 0 6 5 1 0 0 0 3 7 1 6 0 0 8 1 1 0 0 0 9 1 2 0 0 0 10 1 2 0 0 0 11 6 2 0 0 0 12 4 2 0 0 0 13 4 1 0 0 0 14 8 2 0 0 0 15 8 1 0 0 0 16 17 1 0 0 0 17 15 2 0 0 0 18 14 1 0 0 0 19 11 1 0 0 0 20 13 1 0 0 0 21 16 1 0 0 0 22 21 1 0 0 0 23 19 1 0 0 0 24 22 1 0 0 0 25 24 1 0 0 0 26 25 1 0 0 0 16 18 2 0 0 0 6 7 1 0 0 0 M END > 9.52287874528034 > 7.58502665202918 $$$$ 11280715002D 1 1.00000 0.00000 0 26 27 0 0 0 999 V2000 5.7042 -7.1792 0.0000 S 0 0 3 0 0 0 0 0 0 5.1792 -6.8792 0.0000 N 0 0 3 0 0 0 0 0 0 7.2667 -5.0667 0.0000 N 0 3 0 0 0 0 0 0 0 4.6542 -7.1792 0.0000 C 0 0 0 0 0 0 0 0 0 4.1292 -6.8792 0.0000 C 0 0 0 0 0 0 0 0 0 6.2292 -7.4792 0.0000 C 0 0 0 0 0 0 0 0 0 6.0125 -6.6625 0.0000 O 0 0 0 0 0 0 0 0 0 5.4000 -7.7042 0.0000 O 0 0 0 0 0 0 0 0 0 6.7500 -5.3667 0.0000 C 0 0 0 0 0 0 0 0 0 7.7917 -5.3667 0.0000 O 0 5 0 0 0 0 0 0 0 5.1792 -6.2750 0.0000 C 0 0 0 0 0 0 0 0 0 7.2667 -4.4625 0.0000 O 0 0 0 0 0 0 0 0 0 3.6125 -7.1792 0.0000 O 0 0 0 0 0 0 0 0 0 4.1292 -6.2750 0.0000 N 0 0 0 0 0 0 0 0 0 6.2167 -8.0875 0.0000 C 0 0 0 0 0 0 0 0 0 6.7417 -7.1792 0.0000 C 0 0 0 0 0 0 0 0 0 6.7500 -5.9667 0.0000 C 0 0 0 0 0 0 0 0 0 6.2167 -5.0667 0.0000 C 0 0 0 0 0 0 0 0 0 5.7042 -5.9667 0.0000 C 0 0 0 0 0 0 0 0 0 7.2667 -8.0875 0.0000 C 0 0 0 0 0 0 0 0 0 5.7042 -5.3667 0.0000 C 0 0 0 0 0 0 0 0 0 6.2292 -6.2750 0.0000 C 0 0 0 0 0 0 0 0 0 7.2625 -7.4792 0.0000 C 0 0 0 0 0 0 0 0 0 6.7500 -8.3875 0.0000 C 0 0 0 0 0 0 0 0 0 7.7917 -8.3875 0.0000 Br 0 0 0 0 0 0 0 0 0 3.6125 -5.9667 0.0000 O 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 9 1 0 0 0 4 2 1 0 0 0 5 4 1 0 0 0 6 1 1 0 0 0 7 1 2 0 0 0 8 1 2 0 0 0 9 17 2 0 0 0 10 3 1 0 0 0 11 2 1 0 0 0 12 3 2 0 0 0 13 5 2 0 0 0 14 5 1 0 0 0 15 6 2 0 0 0 16 6 1 0 0 0 17 22 1 0 0 0 18 21 2 0 0 0 19 11 1 0 0 0 20 23 1 0 0 0 21 19 1 0 0 0 22 19 2 0 0 0 23 16 2 0 0 0 24 15 1 0 0 0 25 20 1 0 0 0 26 14 1 0 0 0 24 20 2 0 0 0 9 18 1 0 0 0 M CHG 2 3 1 10 -1 M END > 7.44369749923271 > 7.60205999132796 $$$$ 11280715162D 1 1.00000 0.00000 0 35 38 0 0 0 999 V2000 10.2667 -4.4042 0.0000 N 0 0 0 0 0 0 0 0 0 9.4625 -4.1875 0.0000 N 0 0 3 0 0 0 0 0 0 8.8792 -4.7667 0.0000 C 0 0 0 0 0 0 0 0 0 10.4792 -5.1917 0.0000 N 0 0 0 0 0 0 0 0 0 9.1000 -5.5667 0.0000 C 0 0 0 0 0 0 0 0 0 10.1917 -1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 9.8917 -5.7792 0.0000 C 0 0 0 0 0 0 0 0 0 9.6125 -2.0167 0.0000 C 0 0 3 0 0 0 0 0 0 9.2417 -3.3875 0.0000 C 0 0 0 0 0 0 0 0 0 8.0792 -4.5542 0.0000 O 0 0 0 0 0 0 0 0 0 4.4792 -2.1417 0.0000 C 0 0 0 0 0 0 0 0 0 3.6792 -1.9375 0.0000 C 0 0 0 0 0 0 0 0 0 9.8250 -2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 10.9792 -1.6375 0.0000 O 0 0 0 0 0 0 0 0 0 9.9792 -0.6292 0.0000 N 0 0 0 0 0 0 0 0 0 5.0542 -1.5667 0.0000 C 0 0 0 0 0 0 0 0 0 3.4667 -1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 3.1042 -2.5250 0.0000 C 0 0 0 0 0 0 0 0 0 4.6917 -2.9417 0.0000 C 0 0 0 0 0 0 0 0 0 2.0875 -1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 8.5167 -6.1542 0.0000 C 0 0 0 0 0 0 0 0 0 2.3125 -2.3167 0.0000 C 0 0 0 0 0 0 0 0 0 2.6667 -0.9417 0.0000 C 0 0 0 0 0 0 0 0 0 5.8542 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 5.4792 -3.1500 0.0000 C 0 0 0 0 0 0 0 0 0 6.0667 -2.5625 0.0000 C 0 0 0 0 0 0 0 0 0 1.2792 -1.3167 0.0000 Cl 0 0 0 0 0 0 0 0 0 9.1917 -0.4250 0.0000 O 0 0 0 0 0 0 0 0 0 8.8250 -1.8042 0.0000 C 0 0 0 0 0 0 0 0 0 8.2417 -2.3917 0.0000 O 0 0 0 0 0 0 0 0 0 10.1125 -6.5750 0.0000 C 0 0 0 0 0 0 0 0 0 6.8625 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 7.4417 -2.1792 0.0000 C 0 0 0 0 0 0 0 0 0 8.7292 -6.9375 0.0000 C 0 0 0 0 0 0 0 0 0 9.5292 -7.1542 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 1 2 0 0 0 5 7 2 0 0 0 6 8 1 0 0 0 7 4 1 0 0 0 8 13 1 0 0 0 9 2 1 0 0 0 10 3 2 0 0 0 11 19 1 0 0 0 12 11 1 0 0 0 13 9 1 0 0 0 14 6 2 0 0 0 15 6 1 0 0 0 16 24 1 0 0 0 17 12 2 0 0 0 18 12 1 0 0 0 19 25 2 0 0 0 20 22 1 0 0 0 21 5 1 0 0 0 22 18 2 0 0 0 23 17 1 0 0 0 24 26 2 0 0 0 25 26 1 0 0 0 26 32 1 0 0 0 27 20 1 0 0 0 28 15 1 0 0 0 29 8 1 0 0 0 30 29 1 0 0 0 31 7 1 0 0 0 32 33 1 0 0 0 33 30 1 0 0 0 34 35 1 0 0 0 35 31 2 0 0 0 3 5 1 0 0 0 21 34 2 0 0 0 16 11 2 0 0 0 23 20 2 0 0 0 M END > 7.17392519729917 > 5.02227639471115 $$$$ 11280714592D 1 1.00000 0.00000 0 39 41 0 0 0 999 V2000 7.8292 -7.2375 0.0000 S 0 0 3 0 0 0 0 0 0 4.2167 -7.2167 0.0000 S 0 0 3 0 0 0 0 0 0 3.7000 -6.9167 0.0000 N 0 0 3 0 0 0 0 0 0 7.2750 -7.0292 0.0000 N 0 0 0 0 0 0 0 0 0 5.7542 -5.1375 0.0000 N 0 3 0 0 0 0 0 0 0 6.8125 -7.4167 0.0000 C 0 0 0 0 0 0 0 0 0 4.7250 -7.5167 0.0000 C 0 0 0 0 0 0 0 0 0 3.1792 -7.2167 0.0000 C 0 0 0 0 0 0 0 0 0 8.3875 -7.4417 0.0000 C 0 0 0 0 0 0 0 0 0 2.6667 -6.9167 0.0000 C 0 0 0 0 0 0 0 0 0 8.0375 -6.6792 0.0000 O 0 0 0 0 0 0 0 0 0 7.6292 -7.7917 0.0000 O 0 0 0 0 0 0 0 0 0 3.9167 -7.7292 0.0000 O 0 0 0 0 0 0 0 0 0 4.5167 -6.7125 0.0000 O 0 0 0 0 0 0 0 0 0 5.2292 -7.2167 0.0000 C 0 0 0 0 0 0 0 0 0 5.2500 -5.4375 0.0000 C 0 0 0 0 0 0 0 0 0 6.2542 -7.2125 0.0000 N 0 0 0 0 0 0 0 0 0 6.2792 -5.4375 0.0000 O 0 5 0 0 0 0 0 0 0 3.7000 -6.3250 0.0000 C 0 0 0 0 0 0 0 0 0 5.7542 -4.5417 0.0000 O 0 0 0 0 0 0 0 0 0 5.7417 -7.5042 0.0000 C 0 0 0 0 0 0 0 0 0 6.8125 -8.0042 0.0000 O 0 0 0 0 0 0 0 0 0 2.1542 -7.2167 0.0000 O 0 0 0 0 0 0 0 0 0 8.8375 -7.0667 0.0000 C 0 0 0 0 0 0 0 0 0 2.6667 -6.3250 0.0000 N 0 0 0 0 0 0 0 0 0 5.2500 -6.0292 0.0000 C 0 0 0 0 0 0 0 0 0 4.7292 -5.1375 0.0000 C 0 0 0 0 0 0 0 0 0 4.2167 -6.0292 0.0000 C 0 0 0 0 0 0 0 0 0 4.7292 -6.3292 0.0000 C 0 0 0 0 0 0 0 0 0 4.2167 -5.4375 0.0000 C 0 0 0 0 0 0 0 0 0 2.1542 -6.0292 0.0000 O 0 0 0 0 0 0 0 0 0 4.7250 -8.1042 0.0000 C 0 0 0 0 0 0 0 0 0 8.4792 -8.0292 0.0000 C 0 0 0 0 0 0 0 0 0 5.2292 -8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 5.7417 -8.1042 0.0000 C 0 0 0 0 0 0 0 0 0 8.7375 -6.4792 0.0000 C 0 0 0 0 0 0 0 0 0 9.3917 -7.2750 0.0000 C 0 0 0 0 0 0 0 0 0 9.0375 -8.2417 0.0000 C 0 0 0 0 0 0 0 0 0 9.4917 -7.8667 0.0000 C 0 0 0 0 0 0 0 0 0 2 7 1 0 0 0 3 2 1 0 0 0 4 1 1 0 0 0 5 16 1 0 0 0 6 4 1 0 0 0 7 15 1 0 0 0 8 3 1 0 0 0 9 1 1 0 0 0 10 8 1 0 0 0 11 1 2 0 0 0 12 1 2 0 0 0 13 2 2 0 0 0 14 2 2 0 0 0 15 21 2 0 0 0 16 27 1 0 0 0 17 6 1 0 0 0 18 5 1 0 0 0 19 3 1 0 0 0 20 5 2 0 0 0 21 17 1 0 0 0 22 6 2 0 0 0 23 10 2 0 0 0 24 9 1 0 0 0 25 10 1 0 0 0 26 29 1 0 0 0 27 30 2 0 0 0 28 19 1 0 0 0 29 28 2 0 0 0 30 28 1 0 0 0 31 25 1 0 0 0 32 34 1 0 0 0 33 9 2 0 0 0 34 35 2 0 0 0 35 21 1 0 0 0 36 24 1 0 0 0 37 24 2 0 0 0 38 33 1 0 0 0 39 38 2 0 0 0 39 37 1 0 0 0 7 32 2 0 0 0 26 16 2 0 0 0 M CHG 2 5 1 18 -1 M END > 7.63827216398241 > 7.63827216398241 $$$$ 11280715162D 1 1.00000 0.00000 0 40 43 0 0 0 999 V2000 2.9792 -1.1667 0.0000 S 0 0 3 0 0 0 0 0 0 2.2542 -0.7625 0.0000 N 0 0 3 0 0 0 0 0 0 0.8292 -0.7667 0.0000 C 0 0 0 0 0 0 0 0 0 1.5500 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 1.5500 -2.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0.8292 0.0583 0.0000 C 0 0 0 0 0 0 0 0 0 3.6917 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 2.9792 -1.9917 0.0000 O 0 0 0 0 0 0 0 0 0 3.6917 -0.7542 0.0000 O 0 0 0 0 0 0 0 0 0 0.1167 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 2.2542 0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 7.2417 1.3458 0.0000 N 0 0 3 0 0 0 0 0 0 0.8292 -2.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0.1167 -2.0042 0.0000 C 0 0 0 0 0 0 0 0 0 1.5417 0.4708 0.0000 O 0 0 0 0 0 0 0 0 0 0.1167 0.4708 0.0000 N 0 0 0 0 0 0 0 0 0 3.6875 -2.4042 0.0000 C 0 0 0 0 0 0 0 0 0 4.3917 -1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 2.9667 0.4833 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5958 -2.4167 0.0000 Br 0 0 0 0 0 0 0 0 0 5.1125 -2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 4.3875 1.3208 0.0000 C 0 0 0 0 0 0 0 0 0 4.4000 -2.8125 0.0000 C 0 0 0 0 0 0 0 0 0 5.1042 -1.5750 0.0000 C 0 0 0 0 0 0 0 0 0 3.6875 0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 2.9542 1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0.1125 1.2958 0.0000 O 0 0 0 0 0 0 0 0 0 3.6667 1.7208 0.0000 C 0 0 0 0 0 0 0 0 0 4.3917 0.4958 0.0000 C 0 0 0 0 0 0 0 0 0 2.2667 -2.4167 0.0000 C 0 0 0 0 0 0 0 0 0 5.1000 1.7375 0.0000 O 0 0 0 0 0 0 0 0 0 6.5292 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 5.8167 1.3333 0.0000 C 0 0 0 0 0 0 0 0 0 5.8167 -2.8042 0.0000 O 0 0 0 0 0 0 0 0 0 7.9500 1.7708 0.0000 C 0 0 0 0 0 0 0 0 0 7.2500 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 6.5292 -2.3917 0.0000 C 0 0 0 0 0 0 0 0 0 7.9667 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 8.6667 1.3708 0.0000 C 0 0 0 0 0 0 0 0 0 8.6792 0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 4 2 0 0 0 4 2 1 0 0 0 5 4 1 0 0 0 6 3 1 0 0 0 7 1 1 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 3 1 0 0 0 11 2 1 0 0 0 12 32 1 0 0 0 13 5 2 0 0 0 14 13 1 0 0 0 15 6 2 0 0 0 16 6 1 0 0 0 17 7 2 0 0 0 18 7 1 0 0 0 19 11 1 0 0 0 20 14 1 0 0 0 21 24 1 0 0 0 22 28 1 0 0 0 23 17 1 0 0 0 24 18 2 0 0 0 25 19 2 0 0 0 26 19 1 0 0 0 27 16 1 0 0 0 28 26 2 0 0 0 29 25 1 0 0 0 30 5 1 0 0 0 31 22 1 0 0 0 32 33 1 0 0 0 33 31 1 0 0 0 34 21 1 0 0 0 35 12 1 0 0 0 36 12 1 0 0 0 37 34 1 0 0 0 38 36 1 0 0 0 39 35 1 0 0 0 40 38 1 0 0 0 21 23 2 0 0 0 22 29 2 0 0 0 14 10 2 0 0 0 40 39 1 0 0 0 M END > 8.52287874528034 > 7.45593195564972 $$$$ 11280715242D 1 1.00000 0.00000 0 24 25 0 0 0 999 V2000 4.8750 -1.8167 0.0000 S 0 0 3 0 0 0 0 0 0 4.8750 -2.4167 0.0000 N 0 0 3 0 0 0 0 0 0 4.3625 -2.7167 0.0000 C 0 0 3 0 0 0 0 0 0 4.8750 -3.6167 0.0000 N 0 0 3 0 0 0 0 0 0 3.8417 -2.4167 0.0000 C 0 0 0 0 0 0 0 0 0 4.3625 -3.3167 0.0000 C 0 0 0 0 0 0 0 0 0 4.8750 -4.2167 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -2.7167 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -1.5125 0.0000 C 0 0 0 0 0 0 0 0 0 4.3250 -1.4292 0.0000 O 0 0 0 0 0 0 0 0 0 5.5875 -2.2292 0.0000 O 0 0 0 0 0 0 0 0 0 5.3917 -3.3167 0.0000 C 0 0 0 0 0 0 0 0 0 4.3542 -4.5042 0.0000 O 0 0 0 0 0 0 0 0 0 3.8375 -1.8167 0.0000 O 0 0 0 0 0 0 0 0 0 3.3167 -2.7167 0.0000 N 0 0 0 0 0 0 0 0 0 5.3917 -4.5167 0.0000 N 0 0 0 0 0 0 0 0 0 5.9125 -1.8125 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -0.9167 0.0000 C 0 0 0 0 0 0 0 0 0 6.4292 -0.9125 0.0000 C 0 0 0 0 0 0 0 0 0 5.9042 -0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 6.4292 -1.5125 0.0000 C 0 0 0 0 0 0 0 0 0 2.8000 -2.4167 0.0000 O 0 0 0 0 0 0 0 0 0 6.9500 -0.6125 0.0000 O 0 0 0 0 0 0 0 0 0 7.4667 -0.9042 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 12 1 0 0 0 5 3 1 0 0 0 6 3 1 0 0 0 7 4 1 0 0 0 8 2 1 0 0 0 9 1 1 0 0 0 10 1 2 0 0 0 11 1 2 0 0 0 12 8 1 0 0 0 13 7 2 0 0 0 14 5 2 0 0 0 15 5 1 0 0 0 16 7 1 0 0 0 17 9 2 0 0 0 18 9 1 0 0 0 19 20 1 0 0 0 20 18 2 0 0 0 21 17 1 0 0 0 22 15 1 0 0 0 23 19 1 0 0 0 24 23 1 0 0 0 19 21 2 0 0 0 4 6 1 0 0 0 M END > 8.44369749923271 > 6.93930215964639 $$$$ 11280715242D 1 1.00000 0.00000 0 31 32 0 0 0 999 V2000 5.1167 -3.0667 0.0000 S 0 0 3 0 0 0 0 0 0 5.8292 -3.4542 0.0000 C 0 0 0 0 0 0 0 0 0 4.4167 -2.6625 0.0000 N 0 0 3 0 0 0 0 0 0 5.8417 -4.2750 0.0000 C 0 0 0 0 0 0 0 0 0 6.5250 -3.0375 0.0000 C 0 0 0 0 0 0 0 0 0 3.7125 -3.0667 0.0000 C 0 0 3 0 0 0 0 0 0 7.2375 -3.4167 0.0000 C 0 0 0 0 0 0 0 0 0 6.5542 -4.6542 0.0000 C 0 0 0 0 0 0 0 0 0 7.2542 -4.2417 0.0000 C 0 0 0 0 0 0 0 0 0 3.0000 -2.6625 0.0000 C 0 0 0 0 0 0 0 0 0 5.8125 -2.3417 0.0000 O 0 0 0 0 0 0 0 0 0 4.3667 -3.7792 0.0000 O 0 0 0 0 0 0 0 0 0 4.4167 -1.8500 0.0000 C 0 0 0 0 0 0 0 0 0 3.7125 -3.8792 0.0000 C 0 0 0 0 0 0 0 0 0 2.3000 -3.0667 0.0000 O 0 0 0 0 0 0 0 0 0 6.5042 -2.2167 0.0000 F 0 0 0 0 0 0 0 0 0 5.1500 -4.6875 0.0000 F 0 0 0 0 0 0 0 0 0 3.0000 -1.8500 0.0000 N 0 0 0 0 0 0 0 0 0 6.5750 -5.4792 0.0000 F 0 0 0 0 0 0 0 0 0 7.9292 -2.9917 0.0000 F 0 0 0 0 0 0 0 0 0 7.9667 -4.6292 0.0000 F 0 0 0 0 0 0 0 0 0 5.1167 -1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 2.3000 -1.4417 0.0000 O 0 0 0 0 0 0 0 0 0 3.0000 -4.2917 0.0000 C 0 0 3 0 0 0 0 0 0 5.1167 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 5.8250 -1.8500 0.0000 C 0 0 0 0 0 0 0 0 0 3.0000 -5.1042 0.0000 C 0 0 0 0 0 0 0 0 0 2.3042 -3.8792 0.0000 C 0 0 0 0 0 0 0 0 0 6.5250 -1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 5.8125 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 6.5250 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 2 2 0 0 0 5 2 1 0 0 0 6 3 1 0 0 0 7 5 2 0 0 0 8 4 1 0 0 0 9 7 1 0 0 0 10 6 1 0 0 0 11 1 2 0 0 0 12 1 2 0 0 0 13 3 1 0 0 0 14 6 1 0 0 0 15 10 2 0 0 0 16 5 1 0 0 0 17 4 1 0 0 0 18 10 1 0 0 0 19 8 1 0 0 0 20 7 1 0 0 0 21 9 1 0 0 0 22 13 1 0 0 0 23 18 1 0 0 0 24 14 1 0 0 0 25 22 1 0 0 0 26 22 2 0 0 0 27 24 1 0 0 0 28 24 1 0 0 0 29 26 1 0 0 0 30 25 2 0 0 0 31 29 2 0 0 0 8 9 2 0 0 0 30 31 1 0 0 0 M END > 8.30102999566398 > 8.30102999566398 $$$$ CDK 9/16/09,9:41 25 26 0 0 0 0 0 0 0 0999 V2000 6.3049 -5.0928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8882 -5.8033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2949 -6.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1184 -6.5221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5333 -5.8070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1242 -5.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3558 -5.8055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7664 -6.5224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5907 -6.5242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0053 -5.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5897 -5.0923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7667 -5.0940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8304 -5.8103 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.6551 -5.8088 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8310 -6.6353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8302 -4.9852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0664 -5.0935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8914 -5.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6525 -4.3798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0637 -3.6645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8275 -4.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3053 -5.8058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0631 -5.7981 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 13.3026 -4.3768 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1276 -4.3753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5 7 1 0 0 0 0 6 1 1 0 0 0 0 10 13 1 0 0 0 0 1 2 2 0 0 0 0 13 14 1 0 0 0 0 3 4 2 0 0 0 0 13 15 2 0 0 0 0 7 8 2 0 0 0 0 13 16 2 0 0 0 0 14 17 1 0 0 0 0 8 9 1 0 0 0 0 17 18 1 0 0 0 0 4 5 1 0 0 0 0 17 19 1 6 0 0 0 9 10 2 0 0 0 0 19 20 1 0 0 0 0 2 3 1 0 0 0 0 19 21 1 0 0 0 0 10 11 1 0 0 0 0 18 22 2 0 0 0 0 5 6 2 0 0 0 0 2 23 1 0 0 0 0 11 12 2 0 0 0 0 18 24 1 0 0 0 0 12 7 1 0 0 0 0 24 25 1 0 0 0 0 M END > 8.69897000433602 > 6.95860731484177 $$$$ 11280715482D 1 1.00000 0.00000 0 24 25 0 0 0 999 V2000 3.3667 -1.1125 0.0000 S 0 0 3 0 0 0 0 0 0 2.5417 -1.1542 0.0000 N 0 0 3 0 0 0 0 0 0 2.1000 -0.4542 0.0000 C 0 0 3 0 0 0 0 0 0 2.4792 0.2750 0.0000 C 0 0 0 0 0 0 0 0 0 4.1917 -1.0750 0.0000 C 0 0 0 0 0 0 0 0 0 3.3667 -0.2875 0.0000 O 0 0 0 0 0 0 0 0 0 3.3667 -1.9375 0.0000 O 0 0 0 0 0 0 0 0 0 6.7375 -2.3792 0.0000 C 0 0 0 0 0 0 0 0 0 6.3167 -3.0917 0.0000 C 0 0 0 0 0 0 0 0 0 3.2750 0.4958 0.0000 O 0 0 0 0 0 0 0 0 0 0.9000 -1.2250 0.0000 N 0 0 0 0 0 0 0 0 0 2.1667 -1.8792 0.0000 C 0 0 0 0 0 0 0 0 0 1.9625 0.9208 0.0000 N 0 0 0 0 0 0 0 0 0 4.5750 -0.3417 0.0000 C 0 0 0 0 0 0 0 0 0 4.6375 -1.7667 0.0000 C 0 0 0 0 0 0 0 0 0 1.2792 -0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 5.8417 -0.9917 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 5.4625 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 2.2542 1.6875 0.0000 O 0 0 0 0 0 0 0 0 0 7.1167 -1.6417 0.0000 C 0 0 0 0 0 0 0 0 0 1.3417 -1.9167 0.0000 C 0 0 0 0 0 0 0 0 0 6.6667 -0.9542 0.0000 O 0 0 0 0 0 0 0 0 0 5.9042 -3.8042 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 1 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 21 1 0 0 0 9 8 3 0 0 0 10 4 2 0 0 0 11 22 1 0 0 0 12 2 1 0 0 0 13 4 1 0 0 0 14 5 2 0 0 0 15 5 1 0 0 0 16 3 1 0 0 0 17 19 1 0 0 0 18 14 1 0 0 0 19 15 2 0 0 0 20 13 1 0 0 0 21 23 1 0 0 0 22 12 1 0 0 0 23 17 1 0 0 0 24 9 1 0 0 0 17 18 2 0 0 0 16 11 1 0 0 0 M END > 8.09691001300806 > 6.17005330405836 $$$$ 11280715462D 1 1.00000 0.00000 0 31 33 0 1 0 999 V2000 3.2417 -1.9167 0.0000 S 0 0 3 0 0 0 0 0 0 3.2417 -2.7417 0.0000 N 0 0 3 0 0 0 0 0 0 2.5250 -3.1542 0.0000 C 0 0 2 0 0 0 0 0 0 2.5167 -3.9792 0.0000 C 0 0 3 0 0 0 0 0 0 1.8042 -2.7417 0.0000 C 0 0 0 0 0 0 0 0 0 3.9625 -3.1542 0.0000 C 0 0 0 0 0 0 0 0 0 3.2417 -1.0917 0.0000 C 0 0 0 0 0 0 0 0 0 4.0667 -1.9125 0.0000 O 0 0 0 0 0 0 0 0 0 2.4167 -1.9125 0.0000 O 0 0 0 0 0 0 0 0 0 3.2375 -4.4000 0.0000 C 0 0 0 0 0 0 0 0 0 1.8125 -1.9167 0.0000 O 0 0 0 0 0 0 0 0 0 3.9542 -3.9875 0.0000 C 0 0 1 0 0 0 0 0 0 1.0917 -3.1542 0.0000 N 0 0 0 0 0 0 0 0 0 4.6917 1.3750 0.0000 C 0 0 0 0 0 0 0 0 0 3.9875 1.7958 0.0000 C 0 0 0 0 0 0 0 0 0 2.5375 -0.6750 0.0000 C 0 0 0 0 0 0 0 0 0 3.9625 -0.6792 0.0000 C 0 0 0 0 0 0 0 0 0 5.4125 1.7833 0.0000 C 0 0 0 0 0 0 0 0 0 3.2667 1.3875 0.0000 O 0 0 0 0 0 0 0 0 0 3.2625 0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 2.5167 -4.8042 0.0000 C 0 0 0 0 0 0 0 0 0 1.6917 -3.9792 0.0000 C 0 0 0 0 0 0 0 0 0 3.9667 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 2.5417 0.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0.3792 -2.7417 0.0000 O 0 0 0 0 0 0 0 0 0 4.6667 -4.4042 0.0000 O 0 0 0 0 0 0 0 0 0 4.6875 0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 5.4167 2.6083 0.0000 C 0 0 0 0 0 0 0 0 0 6.1167 1.3708 0.0000 C 0 0 0 0 0 0 0 0 0 6.1167 0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 0.1333 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 3 5 1 6 0 0 6 2 1 0 0 0 7 1 1 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 12 1 0 0 0 11 5 2 0 0 0 12 6 1 0 0 0 13 5 1 0 0 0 14 15 1 0 0 0 15 19 1 0 0 0 16 7 2 0 0 0 17 7 1 0 0 0 18 14 1 0 0 0 19 20 1 0 0 0 20 23 1 0 0 0 21 4 1 0 0 0 22 4 1 0 0 0 23 17 2 0 0 0 24 16 1 0 0 0 25 13 1 0 0 0 12 26 1 6 0 0 27 14 2 0 0 0 28 18 1 0 0 0 29 18 2 0 0 0 30 31 2 0 0 0 31 27 1 0 0 0 24 20 2 0 0 0 10 4 1 0 0 0 30 29 1 0 0 0 M END > 7.85387196432176 > 6.16115090926275 $$$$ 11280715502D 1 1.00000 0.00000 0 30 31 0 1 0 999 V2000 9.8875 1.3824 0.0000 C 0 0 0 0 0 0 0 0 0 9.8864 0.5556 0.0000 C 0 0 0 0 0 0 0 0 0 10.6008 0.1430 0.0000 C 0 0 0 0 0 0 0 0 0 11.3167 0.5561 0.0000 C 0 0 0 0 0 0 0 0 0 11.3138 1.3860 0.0000 C 0 0 0 0 0 0 0 0 0 10.5990 1.7949 0.0000 C 0 0 0 0 0 0 0 0 0 9.1679 0.1315 0.0000 S 0 0 3 0 0 0 0 0 0 8.4441 -0.2915 0.0000 N 0 0 3 0 0 0 0 0 0 9.5931 -0.5888 0.0000 O 0 0 0 0 0 0 0 0 0 8.7403 0.8527 0.0000 O 0 0 0 0 0 0 0 0 0 7.7202 0.1141 0.0000 C 0 0 2 0 0 0 0 0 0 7.0110 -0.3053 0.0000 C 0 0 3 0 0 0 0 0 0 7.0196 -1.1361 0.0000 S 0 0 0 0 0 0 0 0 0 7.7519 -1.5375 0.0000 C 0 0 0 0 0 0 0 0 0 8.4590 -1.1207 0.0000 C 0 0 0 0 0 0 0 0 0 7.7051 0.9385 0.0000 C 0 0 0 0 0 0 0 0 0 8.4074 1.3630 0.0000 O 0 0 0 0 0 0 0 0 0 6.9795 1.3427 0.0000 N 0 0 0 0 0 0 0 0 0 6.9686 2.1670 0.0000 O 0 0 0 0 0 0 0 0 0 12.0310 1.8070 0.0000 O 0 0 0 0 0 0 0 0 0 12.7450 1.3894 0.0000 C 0 0 0 0 0 0 0 0 0 12.7349 0.5640 0.0000 C 0 0 0 0 0 0 0 0 0 12.7306 -0.2665 0.0000 C 0 0 0 0 0 0 0 0 0 12.7215 -1.0984 0.0000 C 0 0 0 0 0 0 0 0 0 6.7953 0.4914 0.0000 C 0 0 0 0 0 0 0 0 0 6.1874 -0.2581 0.0000 C 0 0 0 0 0 0 0 0 0 13.4309 -1.5184 0.0000 C 0 0 0 0 0 0 0 0 0 14.1494 -1.1141 0.0000 C 0 0 0 0 0 0 0 0 0 14.8588 -1.5341 0.0000 C 0 0 0 0 0 0 0 0 0 15.5772 -1.1298 0.0000 N 0 0 0 0 0 0 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 3 4 2 0 0 0 11 16 1 0 0 0 7 8 1 0 0 0 16 17 2 0 0 0 16 18 1 0 0 0 7 9 2 0 0 0 18 19 1 0 0 0 4 5 1 0 0 0 5 20 1 0 0 0 7 10 2 0 0 0 20 21 1 0 0 0 8 11 1 0 0 0 21 22 1 0 0 0 2 3 1 0 0 0 22 23 3 0 0 0 5 6 2 0 0 0 23 24 1 0 0 0 6 1 1 0 0 0 12 25 1 0 0 0 1 2 2 0 0 0 12 26 1 0 0 0 2 7 1 0 0 0 24 27 1 0 0 0 8 15 1 0 0 0 27 28 1 0 0 0 11 12 1 6 0 0 28 29 1 0 0 0 12 13 1 0 0 0 29 30 1 0 0 0 M END > 8.15490195998574 > 7.03621217265444 $$$$ 11280715312D 1 1.00000 0.00000 0 29 31 0 1 0 999 V2000 2.0417 -1.3250 0.0000 N 0 0 3 0 0 0 0 0 0 2.0417 -0.7250 0.0000 S 0 0 3 0 0 0 0 0 0 2.7000 -2.7292 0.0000 N 0 0 3 0 0 0 0 0 0 3.3042 -2.7292 0.0000 C 0 0 0 0 0 0 0 0 0 1.5625 -1.6750 0.0000 C 0 0 2 0 0 0 0 0 0 2.5167 -3.3042 0.0000 C 0 0 0 0 0 0 0 0 0 2.3417 -2.2500 0.0000 C 0 0 2 0 0 0 0 0 0 3.4875 -3.3042 0.0000 N 0 0 3 0 0 0 0 0 0 2.5292 -1.6750 0.0000 C 0 0 0 0 0 0 0 0 0 1.7417 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0.9917 -1.4917 0.0000 C 0 0 0 0 0 0 0 0 0 3.0042 -3.6542 0.0000 C 0 0 0 0 0 0 0 0 0 2.5667 -0.4250 0.0000 C 0 0 0 0 0 0 0 0 0 2.0375 -0.1250 0.0000 O 0 0 0 0 0 0 0 0 0 1.4625 -0.5667 0.0000 O 0 0 0 0 0 0 0 0 0 3.6542 -2.2417 0.0000 O 0 0 0 0 0 0 0 0 0 2.0542 -3.4917 0.0000 O 0 0 0 0 0 0 0 0 0 0.8667 -0.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0.5417 -1.8917 0.0000 N 0 0 0 0 0 0 0 0 0 2.5667 0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 3.0875 -0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 4.0542 -3.4875 0.0000 C 0 0 0 0 0 0 0 0 0 3.6042 0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 3.0792 0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 3.6042 -0.4250 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0250 -1.7042 0.0000 O 0 0 0 0 0 0 0 0 0 4.1250 0.4750 0.0000 O 0 0 0 0 0 0 0 0 0 4.6417 0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 5.1625 0.4833 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 7 3 1 1 0 0 4 3 1 0 0 0 5 1 1 0 0 0 6 3 1 0 0 0 7 9 1 0 0 0 8 4 1 0 0 0 9 1 1 0 0 0 5 10 1 6 0 0 11 5 1 0 0 0 12 6 1 0 0 0 13 2 1 0 0 0 14 2 2 0 0 0 15 2 2 0 0 0 16 4 2 0 0 0 17 6 2 0 0 0 18 11 2 0 0 0 19 11 1 0 0 0 20 13 1 0 0 0 21 13 2 0 0 0 22 8 1 0 0 0 23 25 2 0 0 0 24 20 2 0 0 0 25 21 1 0 0 0 26 19 1 0 0 0 27 23 1 0 0 0 28 27 1 0 0 0 29 28 1 0 0 0 7 10 1 0 0 0 23 24 1 0 0 0 8 12 1 0 0 0 M END > 8.39794000867204 > 6.23657200643706 $$$$ 11280715482D 1 1.00000 0.00000 0 28 29 0 0 0 999 V2000 3.3667 -1.1125 0.0000 S 0 0 3 0 0 0 0 0 0 2.5417 -1.1542 0.0000 N 0 0 3 0 0 0 0 0 0 2.1000 -0.4542 0.0000 C 0 0 3 0 0 0 0 0 0 0.0750 -1.2625 0.0000 S 0 0 3 0 0 0 0 0 0 0.9000 -1.2250 0.0000 N 0 0 3 0 0 0 0 0 0 1.2792 -0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 2.4792 0.2750 0.0000 C 0 0 0 0 0 0 0 0 0 2.1667 -1.8792 0.0000 C 0 0 0 0 0 0 0 0 0 4.1917 -1.0750 0.0000 C 0 0 0 0 0 0 0 0 0 1.3417 -1.9167 0.0000 C 0 0 0 0 0 0 0 0 0 3.3667 -1.9375 0.0000 O 0 0 0 0 0 0 0 0 0 3.3667 -0.2875 0.0000 O 0 0 0 0 0 0 0 0 0 6.7375 -2.3792 0.0000 C 0 0 0 0 0 0 0 0 0 6.3167 -3.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0.0667 -2.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0.0667 -0.4375 0.0000 O 0 0 0 0 0 0 0 0 0 3.2750 0.4958 0.0000 O 0 0 0 0 0 0 0 0 0 1.9625 0.9208 0.0000 N 0 0 0 0 0 0 0 0 0 4.6375 -1.7667 0.0000 C 0 0 0 0 0 0 0 0 0 4.5750 -0.3417 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7500 -1.2625 0.0000 C 0 0 0 0 0 0 0 0 0 5.8417 -0.9917 0.0000 C 0 0 0 0 0 0 0 0 0 5.4625 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 2.2542 1.6875 0.0000 O 0 0 0 0 0 0 0 0 0 7.1167 -1.6417 0.0000 C 0 0 0 0 0 0 0 0 0 6.6667 -0.9542 0.0000 O 0 0 0 0 0 0 0 0 0 5.9042 -3.8042 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 5 1 0 0 0 5 10 1 0 0 0 6 3 1 0 0 0 7 3 1 0 0 0 8 2 1 0 0 0 9 1 1 0 0 0 10 8 1 0 0 0 11 1 2 0 0 0 12 1 2 0 0 0 13 26 1 0 0 0 14 13 3 0 0 0 15 4 2 0 0 0 16 4 2 0 0 0 17 7 2 0 0 0 18 7 1 0 0 0 19 9 1 0 0 0 20 9 2 0 0 0 21 4 1 0 0 0 22 24 2 0 0 0 23 19 2 0 0 0 24 20 1 0 0 0 25 18 1 0 0 0 26 27 1 0 0 0 27 22 1 0 0 0 28 14 1 0 0 0 23 22 1 0 0 0 6 5 1 0 0 0 M END > 8.22184874961636 > 7.01772876696043 $$$$ 11280715082D 1 1.00000 0.00000 0 24 25 0 0 0 999 V2000 2.6750 -11.6500 0.0000 C 0 0 3 0 0 0 0 0 0 1.9625 -12.0667 0.0000 S 0 0 3 0 0 0 0 0 0 3.3917 -12.0500 0.0000 C 0 0 0 0 0 0 0 0 0 1.9667 -11.2417 0.0000 C 0 0 0 0 0 0 0 0 0 3.3875 -11.2417 0.0000 C 0 0 0 0 0 0 0 0 0 2.6750 -10.0000 0.0000 N 0 0 3 0 0 0 0 0 0 1.2417 -11.6542 0.0000 C 0 0 0 0 0 0 0 0 0 2.5417 -12.6417 0.0000 O 0 0 0 0 0 0 0 0 0 1.3750 -12.6417 0.0000 O 0 0 0 0 0 0 0 0 0 1.9667 -10.4167 0.0000 C 0 0 0 0 0 0 0 0 0 3.3875 -10.4167 0.0000 C 0 0 0 0 0 0 0 0 0 3.4042 -12.8750 0.0000 O 0 0 0 0 0 0 0 0 0 4.1042 -11.6292 0.0000 N 0 0 0 0 0 0 0 0 0 0.5292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 1.2417 -10.8250 0.0000 C 0 0 0 0 0 0 0 0 0 2.6750 -9.1750 0.0000 C 0 0 3 0 0 0 0 0 0 -0.1833 -10.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0.5292 -10.4125 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1833 -11.6542 0.0000 C 0 0 0 0 0 0 0 0 0 4.8250 -12.0292 0.0000 O 0 0 0 0 0 0 0 0 0 -0.9000 -10.4125 0.0000 O 0 0 0 0 0 0 0 0 0 3.3917 -8.7625 0.0000 C 0 0 0 0 0 0 0 0 0 1.9625 -8.7625 0.0000 C 0 0 0 0 0 0 0 0 0 -1.6125 -10.8250 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 1 1 0 0 0 5 1 1 0 0 0 6 11 1 0 0 0 7 2 1 0 0 0 8 2 2 0 0 0 9 2 2 0 0 0 10 4 1 0 0 0 11 5 1 0 0 0 12 3 2 0 0 0 13 3 1 0 0 0 14 7 2 0 0 0 15 7 1 0 0 0 16 6 1 0 0 0 17 18 1 0 0 0 18 15 2 0 0 0 19 14 1 0 0 0 20 13 1 0 0 0 21 17 1 0 0 0 22 16 1 0 0 0 23 16 1 0 0 0 24 21 1 0 0 0 10 6 1 0 0 0 17 19 2 0 0 0 M END > 7.46852108295774 > 5.35261702988538 $$$$ 11280715312D 1 1.00000 0.00000 0 32 33 0 1 0 999 V2000 3.2167 -1.0167 0.0000 S 0 0 3 0 0 0 0 0 0 3.2167 -1.6167 0.0000 N 0 0 3 0 0 0 0 0 0 2.7375 -1.9667 0.0000 C 0 0 1 0 0 0 0 0 0 2.1667 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 4.4667 -2.9625 0.0000 C 0 0 0 0 0 0 0 0 0 3.7042 -1.9667 0.0000 C 0 0 0 0 0 0 0 0 0 2.9167 -2.5417 0.0000 C 0 0 0 0 0 0 0 0 0 3.7417 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 3.8750 -3.0250 0.0000 N 0 0 0 0 0 0 0 0 0 3.5167 -2.5417 0.0000 C 0 0 2 0 0 0 0 0 0 2.6375 -0.8542 0.0000 O 0 0 0 0 0 0 0 0 0 3.2125 -0.4167 0.0000 O 0 0 0 0 0 0 0 0 0 4.8250 -3.4500 0.0000 C 0 0 2 0 0 0 0 0 0 2.0417 -1.1917 0.0000 O 0 0 0 0 0 0 0 0 0 4.7292 -2.4167 0.0000 O 0 0 0 0 0 0 0 0 0 1.7167 -2.1792 0.0000 N 0 0 0 0 0 0 0 0 0 5.4167 -3.3875 0.0000 C 0 0 0 0 0 0 0 0 0 3.7417 -0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 4.2625 -1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 4.7792 -0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 4.7792 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 4.2542 0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 4.5792 -3.9917 0.0000 O 0 0 0 0 0 0 0 0 0 1.1500 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 5.3000 0.1833 0.0000 O 0 0 0 0 0 0 0 0 0 5.7750 -3.8667 0.0000 C 0 0 3 0 0 0 0 0 0 5.8167 -0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 6.3417 0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 6.8542 -0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 5.5292 -4.4167 0.0000 C 0 0 0 0 0 0 0 0 0 6.3667 -3.8042 0.0000 C 0 0 0 0 0 0 0 0 0 7.3792 0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 9 1 0 0 0 6 2 1 0 0 0 3 7 1 6 0 0 8 1 1 0 0 0 10 9 1 1 0 0 10 6 1 0 0 0 11 1 2 0 0 0 12 1 2 0 0 0 13 5 1 0 0 0 14 4 2 0 0 0 15 5 2 0 0 0 16 4 1 0 0 0 17 13 1 0 0 0 18 8 1 0 0 0 19 8 2 0 0 0 20 21 2 0 0 0 21 19 1 0 0 0 22 18 2 0 0 0 13 23 1 6 0 0 24 16 1 0 0 0 25 20 1 0 0 0 26 17 1 0 0 0 27 25 1 0 0 0 28 27 1 0 0 0 29 28 1 0 0 0 30 26 1 0 0 0 31 26 1 0 0 0 32 29 1 0 0 0 20 22 1 0 0 0 10 7 1 0 0 0 M END > 9.04575749056067 > 6.35654732351381 $$$$ 11280715422D 1 1.00000 0.00000 0 30 31 0 0 0 999 V2000 -0.8875 1.3500 0.0000 S 0 0 3 0 0 0 0 0 0 -0.9000 0.5208 0.0000 N 0 0 3 0 0 0 0 0 0 -1.6500 0.1625 0.0000 C 0 0 3 0 0 0 0 0 0 -2.2875 0.6958 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5000 -1.3000 0.0000 N 0 0 3 0 0 0 0 0 0 -0.1500 0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 -1.8458 -0.6375 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0625 1.3500 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1500 -2.0417 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7208 1.3500 0.0000 O 0 0 0 0 0 0 0 0 0 -0.8958 2.1750 0.0000 O 0 0 0 0 0 0 0 0 0 2.4167 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 2.8375 -0.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0.0167 -0.6625 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3250 -1.2875 0.0000 C 0 0 0 0 0 0 0 0 0 -2.2875 1.5208 0.0000 O 0 0 0 0 0 0 0 0 0 -0.6208 -2.7250 0.0000 O 0 0 0 0 0 0 0 0 0 -3.0458 0.3375 0.0000 N 0 0 0 0 0 0 0 0 0 0.3500 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0.3500 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 1.5917 1.3458 0.0000 C 0 0 0 0 0 0 0 0 0 1.1750 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 1.1750 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 -3.7208 0.8000 0.0000 O 0 0 0 0 0 0 0 0 0 0.6750 -2.1167 0.0000 C 0 0 0 0 0 0 0 0 0 2.8375 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 2.4167 1.3458 0.0000 O 0 0 0 0 0 0 0 0 0 3.2500 -1.5375 0.0000 C 0 0 0 0 0 0 0 0 0 1.0167 -2.8625 0.0000 O 0 0 0 0 0 0 0 0 0 1.8500 -2.9375 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 14 1 0 0 0 6 2 1 0 0 0 7 3 1 0 0 0 8 1 1 0 0 0 9 5 1 0 0 0 10 1 2 0 0 0 11 1 2 0 0 0 12 26 1 0 0 0 13 12 3 0 0 0 14 6 1 0 0 0 15 7 1 0 0 0 16 4 2 0 0 0 17 9 2 0 0 0 18 4 1 0 0 0 19 8 1 0 0 0 20 8 2 0 0 0 21 23 2 0 0 0 22 19 2 0 0 0 23 20 1 0 0 0 24 18 1 0 0 0 25 9 1 0 0 0 26 27 1 0 0 0 27 21 1 0 0 0 28 13 1 0 0 0 29 25 1 0 0 0 30 29 1 0 0 0 21 22 1 0 0 0 5 15 1 0 0 0 M END > 7.50863830616573 > 6.55752023093555 $$$$ 11280715002D 1 1.00000 0.00000 0 29 30 0 0 0 999 V2000 5.5667 -7.2250 0.0000 S 0 0 3 0 0 0 0 0 0 5.0417 -6.9250 0.0000 N 0 0 3 0 0 0 0 0 0 7.1292 -5.1125 0.0000 N 0 3 0 0 0 0 0 0 0 7.6542 -7.2125 0.0000 C 0 0 3 0 0 0 0 0 0 6.0792 -7.5250 0.0000 C 0 0 0 0 0 0 0 0 0 4.5167 -7.2250 0.0000 C 0 0 0 0 0 0 0 0 0 3.9917 -6.9250 0.0000 C 0 0 0 0 0 0 0 0 0 7.1292 -7.5167 0.0000 C 0 0 0 0 0 0 0 0 0 6.6000 -7.2167 0.0000 C 0 0 0 0 0 0 0 0 0 5.2625 -7.7417 0.0000 O 0 0 0 0 0 0 0 0 0 5.8667 -6.7042 0.0000 O 0 0 0 0 0 0 0 0 0 6.6125 -5.4125 0.0000 C 0 0 0 0 0 0 0 0 0 7.6542 -5.4125 0.0000 O 0 5 0 0 0 0 0 0 0 5.0417 -6.3167 0.0000 C 0 0 0 0 0 0 0 0 0 7.1292 -4.5042 0.0000 O 0 0 0 0 0 0 0 0 0 3.4750 -7.2250 0.0000 O 0 0 0 0 0 0 0 0 0 3.9917 -6.3167 0.0000 N 0 0 0 0 0 0 0 0 0 8.1750 -7.5167 0.0000 F 0 0 0 0 0 0 0 0 0 7.6417 -6.6042 0.0000 F 0 0 0 0 0 0 0 0 0 8.1750 -6.9125 0.0000 F 0 0 0 0 0 0 0 0 0 6.6125 -6.0167 0.0000 C 0 0 0 0 0 0 0 0 0 6.0792 -5.1125 0.0000 C 0 0 0 0 0 0 0 0 0 5.5667 -6.0167 0.0000 C 0 0 0 0 0 0 0 0 0 6.0792 -6.3167 0.0000 C 0 0 0 0 0 0 0 0 0 5.5667 -5.4125 0.0000 C 0 0 0 0 0 0 0 0 0 3.4750 -6.0167 0.0000 O 0 0 0 0 0 0 0 0 0 6.0792 -8.1292 0.0000 C 0 0 0 0 0 0 0 0 0 7.1292 -8.1292 0.0000 C 0 0 0 0 0 0 0 0 0 6.6042 -8.4292 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 12 1 0 0 0 4 8 1 0 0 0 5 1 1 0 0 0 6 2 1 0 0 0 7 6 1 0 0 0 8 9 2 0 0 0 9 5 1 0 0 0 10 1 2 0 0 0 11 1 2 0 0 0 12 22 1 0 0 0 13 3 1 0 0 0 14 2 1 0 0 0 15 3 2 0 0 0 16 7 2 0 0 0 17 7 1 0 0 0 18 4 1 0 0 0 19 4 1 0 0 0 20 4 1 0 0 0 21 24 1 0 0 0 22 25 2 0 0 0 23 14 1 0 0 0 24 23 2 0 0 0 25 23 1 0 0 0 26 17 1 0 0 0 27 5 2 0 0 0 28 29 2 0 0 0 29 27 1 0 0 0 8 28 1 0 0 0 21 12 2 0 0 0 M CHG 2 3 1 13 -1 M END > 8.30102999566398 > 8.30102999566398 $$$$ 11280715002D 1 1.00000 0.00000 0 29 31 0 0 0 999 V2000 5.7042 -6.9250 0.0000 C 0 0 0 0 0 0 0 0 0 7.2667 -4.8042 0.0000 N 0 3 0 0 0 0 0 0 0 5.1792 -6.6167 0.0000 N 0 0 3 0 0 0 0 0 0 5.7042 -7.5292 0.0000 N 0 0 0 0 0 0 0 0 0 6.2292 -7.8292 0.0000 C 0 0 0 0 0 0 0 0 0 4.1292 -6.6167 0.0000 C 0 0 0 0 0 0 0 0 0 6.7500 -5.1125 0.0000 C 0 0 0 0 0 0 0 0 0 4.6542 -6.9250 0.0000 C 0 0 0 0 0 0 0 0 0 7.7917 -5.1125 0.0000 O 0 5 0 0 0 0 0 0 0 6.7417 -7.5292 0.0000 C 0 0 0 0 0 0 0 0 0 7.2667 -4.2042 0.0000 O 0 0 0 0 0 0 0 0 0 6.2292 -6.6167 0.0000 O 0 0 0 0 0 0 0 0 0 5.1792 -6.0167 0.0000 C 0 0 0 0 0 0 0 0 0 3.6125 -6.9250 0.0000 O 0 0 0 0 0 0 0 0 0 4.1292 -6.0167 0.0000 N 0 0 0 0 0 0 0 0 0 6.7500 -5.7167 0.0000 C 0 0 0 0 0 0 0 0 0 6.2167 -4.8042 0.0000 C 0 0 0 0 0 0 0 0 0 7.2625 -7.8292 0.0000 C 0 0 0 0 0 0 0 0 0 5.7042 -5.7167 0.0000 C 0 0 0 0 0 0 0 0 0 5.7042 -5.1125 0.0000 C 0 0 0 0 0 0 0 0 0 6.2292 -6.0167 0.0000 C 0 0 0 0 0 0 0 0 0 3.6125 -5.7167 0.0000 O 0 0 0 0 0 0 0 0 0 6.2167 -8.4292 0.0000 C 0 0 0 0 0 0 0 0 0 6.7500 -8.7375 0.0000 C 0 0 0 0 0 0 0 0 0 6.7417 -6.9292 0.0000 C 0 0 0 0 0 0 0 0 0 7.2667 -8.4292 0.0000 C 0 0 0 0 0 0 0 0 0 7.7792 -7.5292 0.0000 C 0 0 0 0 0 0 0 0 0 7.2500 -6.6292 0.0000 C 0 0 0 0 0 0 0 0 0 7.7792 -6.9250 0.0000 C 0 0 0 0 0 0 0 0 0 2 7 1 0 0 0 3 1 1 0 0 0 4 1 1 0 0 0 5 4 1 0 0 0 6 8 1 0 0 0 7 16 2 0 0 0 8 3 1 0 0 0 9 2 1 0 0 0 10 5 1 0 0 0 11 2 2 0 0 0 12 1 2 0 0 0 13 3 1 0 0 0 14 6 2 0 0 0 15 6 1 0 0 0 16 21 1 0 0 0 17 20 2 0 0 0 18 10 1 0 0 0 19 13 1 0 0 0 20 19 1 0 0 0 21 19 2 0 0 0 22 15 1 0 0 0 23 5 2 0 0 0 24 23 1 0 0 0 25 10 2 0 0 0 26 24 2 0 0 0 27 18 2 0 0 0 28 25 1 0 0 0 29 28 2 0 0 0 18 26 1 0 0 0 17 7 1 0 0 0 27 29 1 0 0 0 M CHG 2 2 1 9 -1 M END > 7.74472749489669 > 7.74472749489669 $$$$ 11280715072D 1 1.00000 0.00000 0 36 38 0 0 0 999 V2000 4.3417 -3.5792 0.0000 S 0 0 3 0 0 0 0 0 0 5.1667 -3.5542 0.0000 C 0 0 3 0 0 0 0 0 0 5.5542 -2.8167 0.0000 C 0 0 0 0 0 0 0 0 0 3.5167 -3.6167 0.0000 C 0 0 0 0 0 0 0 0 0 5.1625 -4.3792 0.0000 C 0 0 0 0 0 0 0 0 0 4.3792 -4.4125 0.0000 O 0 0 0 0 0 0 0 0 0 4.3125 -2.7625 0.0000 O 0 0 0 0 0 0 0 0 0 7.6500 -8.8875 0.0000 N 0 0 3 0 0 0 0 0 0 5.1125 -2.1250 0.0000 O 0 0 0 0 0 0 0 0 0 6.3792 -2.7875 0.0000 N 0 0 0 0 0 0 0 0 0 3.0792 -2.9167 0.0000 C 0 0 0 0 0 0 0 0 0 3.1375 -4.3417 0.0000 C 0 0 0 0 0 0 0 0 0 5.9875 -3.5500 0.0000 C 0 0 0 0 0 0 0 0 0 5.7417 -4.9625 0.0000 C 0 0 0 0 0 0 0 0 0 1.8667 -3.6792 0.0000 C 0 0 0 0 0 0 0 0 0 6.9042 -6.1292 0.0000 C 0 0 0 0 0 0 0 0 0 2.3125 -4.3792 0.0000 C 0 0 0 0 0 0 0 0 0 2.2500 -2.9542 0.0000 C 0 0 0 0 0 0 0 0 0 6.7667 -2.0542 0.0000 O 0 0 0 0 0 0 0 0 0 6.5375 -4.7417 0.0000 C 0 0 0 0 0 0 0 0 0 5.5292 -5.7542 0.0000 C 0 0 0 0 0 0 0 0 0 6.1042 -6.3417 0.0000 C 0 0 0 0 0 0 0 0 0 7.1167 -5.3250 0.0000 C 0 0 0 0 0 0 0 0 0 7.4917 -6.7042 0.0000 O 0 0 0 0 0 0 0 0 0 7.8625 -8.0917 0.0000 C 0 0 0 0 0 0 0 0 0 7.2792 -7.5042 0.0000 C 0 0 0 0 0 0 0 0 0 1.0417 -3.7167 0.0000 O 0 0 0 0 0 0 0 0 0 6.8542 -9.0917 0.0000 C 0 0 0 0 0 0 0 0 0 8.2375 -9.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0.6042 -3.0167 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2208 -3.0500 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6625 -2.3500 0.0000 C 0 0 0 0 0 0 0 0 0 6.6417 -9.8875 0.0000 C 0 0 0 0 0 0 0 0 0 8.0167 -10.2625 0.0000 C 0 0 0 0 0 0 0 0 0 -1.4875 -2.3792 0.0000 C 0 0 0 0 0 0 0 0 0 7.2167 -10.4750 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 1 1 0 0 0 5 2 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 25 1 0 0 0 9 3 2 0 0 0 10 3 1 0 0 0 11 4 2 0 0 0 12 4 1 0 0 0 13 2 1 0 0 0 14 5 1 0 0 0 15 17 1 0 0 0 16 22 2 0 0 0 17 12 2 0 0 0 18 11 1 0 0 0 19 10 1 0 0 0 20 14 1 0 0 0 21 14 2 0 0 0 22 21 1 0 0 0 23 20 2 0 0 0 24 16 1 0 0 0 25 26 1 0 0 0 26 24 1 0 0 0 27 15 1 0 0 0 28 8 1 0 0 0 29 8 1 0 0 0 30 27 1 0 0 0 31 30 1 0 0 0 32 31 1 0 0 0 33 28 1 0 0 0 34 29 1 0 0 0 35 32 1 0 0 0 36 34 1 0 0 0 15 18 2 0 0 0 23 16 1 0 0 0 33 36 1 0 0 0 M END > 8.69897000433602 > 6.11861534322943 $$$$ 11280715292D 1 1.00000 0.00000 0 23 24 0 0 0 999 V2000 5.8292 -4.4417 0.0000 S 0 0 3 0 0 0 0 0 0 5.8292 -5.2417 0.0000 N 0 0 3 0 0 0 0 0 0 6.0042 -6.8542 0.0000 S 0 0 3 0 0 0 0 0 0 5.1667 -5.7250 0.0000 C 0 0 3 0 0 0 0 0 0 5.2667 -6.5250 0.0000 C 0 0 0 0 0 0 0 0 0 4.4042 -5.4792 0.0000 C 0 0 0 0 0 0 0 0 0 6.5667 -5.5625 0.0000 C 0 0 0 0 0 0 0 0 0 6.6542 -6.3667 0.0000 C 0 0 0 0 0 0 0 0 0 5.8167 -3.6375 0.0000 C 0 0 0 0 0 0 0 0 0 6.6375 -4.4417 0.0000 O 0 0 0 0 0 0 0 0 0 5.0167 -4.4375 0.0000 O 0 0 0 0 0 0 0 0 0 5.2167 -7.5125 0.0000 O 0 0 0 0 0 0 0 0 0 6.7667 -7.5917 0.0000 O 0 0 0 0 0 0 0 0 0 4.2417 -4.6875 0.0000 O 0 0 0 0 0 0 0 0 0 3.8042 -6.0167 0.0000 N 0 0 0 0 0 0 0 0 0 5.1042 -3.2417 0.0000 C 0 0 0 0 0 0 0 0 0 6.5167 -3.2250 0.0000 C 0 0 0 0 0 0 0 0 0 5.7917 -2.0167 0.0000 C 0 0 0 0 0 0 0 0 0 6.5000 -2.4167 0.0000 C 0 0 0 0 0 0 0 0 0 5.1042 -2.4292 0.0000 C 0 0 0 0 0 0 0 0 0 3.0292 -5.7667 0.0000 O 0 0 0 0 0 0 0 0 0 5.7875 -1.2167 0.0000 O 0 0 0 0 0 0 0 0 0 6.4792 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 8 1 0 0 0 4 2 1 0 0 0 5 4 1 0 0 0 6 4 1 0 0 0 7 2 1 0 0 0 8 7 1 0 0 0 9 1 1 0 0 0 10 1 2 0 0 0 11 1 2 0 0 0 12 3 2 0 0 0 13 3 2 0 0 0 14 6 2 0 0 0 15 6 1 0 0 0 16 9 1 0 0 0 17 9 2 0 0 0 18 19 2 0 0 0 19 17 1 0 0 0 20 16 2 0 0 0 21 15 1 0 0 0 22 18 1 0 0 0 23 22 1 0 0 0 20 18 1 0 0 0 3 5 1 0 0 0 M END > 7.73518217699046 > 6.16241156176449 $$$$ 11280715242D 1 1.00000 0.00000 0 30 31 0 0 0 999 V2000 4.8750 -0.8375 0.0000 S 0 0 3 0 0 0 0 0 0 4.8750 -1.4375 0.0000 N 0 0 3 0 0 0 0 0 0 4.3625 -1.7375 0.0000 C 0 0 3 0 0 0 0 0 0 4.8750 -2.6375 0.0000 N 0 0 3 0 0 0 0 0 0 3.8417 -1.4375 0.0000 C 0 0 0 0 0 0 0 0 0 4.3625 -2.3375 0.0000 C 0 0 0 0 0 0 0 0 0 4.8750 -3.2375 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -1.7375 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 4.3250 -0.4500 0.0000 O 0 0 0 0 0 0 0 0 0 5.5875 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 5.3917 -2.3375 0.0000 C 0 0 0 0 0 0 0 0 0 4.3542 -3.5292 0.0000 O 0 0 0 0 0 0 0 0 0 3.8375 -0.8375 0.0000 O 0 0 0 0 0 0 0 0 0 3.3167 -1.7375 0.0000 N 0 0 0 0 0 0 0 0 0 5.3917 -3.5375 0.0000 N 0 0 0 0 0 0 0 0 0 5.9125 -0.8292 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 6.4292 0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 5.9042 0.3708 0.0000 C 0 0 0 0 0 0 0 0 0 6.4292 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 2.8000 -1.4375 0.0000 O 0 0 0 0 0 0 0 0 0 6.9500 0.3708 0.0000 O 0 0 0 0 0 0 0 0 0 5.3917 -4.1292 0.0000 C 0 0 0 0 0 0 0 0 0 7.4667 0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 4.8750 -4.4375 0.0000 C 0 0 0 0 0 0 0 0 0 4.3500 -5.9292 0.0000 C 0 0 0 0 0 0 0 0 0 4.3542 -5.3292 0.0000 C 0 0 0 0 0 0 0 0 0 4.8667 -5.0375 0.0000 C 0 0 0 0 0 0 0 0 0 3.8292 -6.2292 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 12 1 0 0 0 5 3 1 0 0 0 6 3 1 0 0 0 7 4 1 0 0 0 8 2 1 0 0 0 9 1 1 0 0 0 10 1 2 0 0 0 11 1 2 0 0 0 12 8 1 0 0 0 13 7 2 0 0 0 14 5 2 0 0 0 15 5 1 0 0 0 16 7 1 0 0 0 17 9 2 0 0 0 18 9 1 0 0 0 19 20 1 0 0 0 20 18 2 0 0 0 21 17 1 0 0 0 22 15 1 0 0 0 23 19 1 0 0 0 24 16 1 0 0 0 25 23 1 0 0 0 26 24 1 0 0 0 27 28 1 0 0 0 28 29 1 0 0 0 29 26 1 0 0 0 30 27 1 0 0 0 19 21 2 0 0 0 4 6 1 0 0 0 M END > 8.85387196432176 > 7.52287874528034 $$$$ 11280715462D 1 1.00000 0.00000 0 31 33 0 1 0 999 V2000 2.3750 -3.1292 0.0000 S 0 0 3 0 0 0 0 0 0 2.3750 -3.9542 0.0000 N 0 0 3 0 0 0 0 0 0 1.6542 -4.3667 0.0000 C 0 0 2 0 0 0 0 0 0 1.6542 -5.1917 0.0000 C 0 0 3 0 0 0 0 0 0 0.9417 -3.9542 0.0000 C 0 0 0 0 0 0 0 0 0 3.0917 -4.3667 0.0000 C 0 0 0 0 0 0 0 0 0 2.3792 -2.3042 0.0000 C 0 0 0 0 0 0 0 0 0 3.2000 -3.1250 0.0000 O 0 0 0 0 0 0 0 0 0 1.5500 -3.1250 0.0000 O 0 0 0 0 0 0 0 0 0 2.3667 -5.6125 0.0000 C 0 0 0 0 0 0 0 0 0 3.8292 0.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0.9417 -3.1292 0.0000 O 0 0 0 0 0 0 0 0 0 3.0917 -5.2000 0.0000 C 0 0 1 0 0 0 0 0 0 4.5417 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0.2292 -4.3667 0.0000 N 0 0 0 0 0 0 0 0 0 5.2500 -0.6750 0.0000 N 0 0 0 0 0 0 0 0 0 3.1167 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 1.6667 -1.8875 0.0000 C 0 0 0 0 0 0 0 0 0 3.0917 -1.8917 0.0000 C 0 0 0 0 0 0 0 0 0 2.4000 0.1750 0.0000 O 0 0 0 0 0 0 0 0 0 2.3917 -0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 4.5500 1.3958 0.0000 Cl 0 0 0 0 0 0 0 0 0 1.6500 -6.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0.8292 -5.1917 0.0000 C 0 0 0 0 0 0 0 0 0 3.1042 -1.0667 0.0000 C 0 0 0 0 0 0 0 0 0 1.6750 -1.0542 0.0000 C 0 0 0 0 0 0 0 0 0 -0.4875 -3.9542 0.0000 O 0 0 0 0 0 0 0 0 0 3.8042 -5.6167 0.0000 O 0 0 0 0 0 0 0 0 0 5.2542 0.1583 0.0000 C 0 0 0 0 0 0 0 0 0 3.8167 -0.6625 0.0000 C 0 0 0 0 0 0 0 0 0 4.5292 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 3 5 1 6 0 0 6 2 1 0 0 0 7 1 1 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 13 1 0 0 0 11 17 1 0 0 0 12 5 2 0 0 0 13 6 1 0 0 0 14 11 1 0 0 0 15 5 1 0 0 0 16 31 2 0 0 0 17 20 1 0 0 0 18 7 2 0 0 0 19 7 1 0 0 0 20 21 1 0 0 0 21 25 1 0 0 0 22 14 1 0 0 0 23 4 1 0 0 0 24 4 1 0 0 0 25 19 2 0 0 0 26 18 1 0 0 0 27 15 1 0 0 0 13 28 1 6 0 0 29 14 2 0 0 0 30 11 2 0 0 0 31 30 1 0 0 0 26 21 2 0 0 0 10 4 1 0 0 0 16 29 1 0 0 0 M END > 7.72124639904717 > 5.95860731484178 $$$$ 11280715242D 1 1.00000 0.00000 0 32 34 0 0 0 999 V2000 4.8750 -0.9917 0.0000 S 0 0 3 0 0 0 0 0 0 4.8750 -1.5917 0.0000 N 0 0 3 0 0 0 0 0 0 4.8750 -3.3917 0.0000 S 0 0 3 0 0 0 0 0 0 4.3625 -1.8917 0.0000 C 0 0 3 0 0 0 0 0 0 4.8750 -2.7917 0.0000 N 0 0 3 0 0 0 0 0 0 4.3625 -2.4917 0.0000 C 0 0 0 0 0 0 0 0 0 3.8417 -1.5917 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -1.8917 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -2.4917 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -0.6917 0.0000 C 0 0 0 0 0 0 0 0 0 4.8667 -3.9917 0.0000 C 0 0 0 0 0 0 0 0 0 4.3250 -0.6125 0.0000 O 0 0 0 0 0 0 0 0 0 5.5875 -1.4042 0.0000 O 0 0 0 0 0 0 0 0 0 5.7042 -3.4250 0.0000 O 0 0 0 0 0 0 0 0 0 4.2375 -3.3917 0.0000 O 0 0 0 0 0 0 0 0 0 3.8375 -0.9917 0.0000 O 0 0 0 0 0 0 0 0 0 3.3167 -1.8917 0.0000 N 0 0 0 0 0 0 0 0 0 5.3917 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 5.9125 -0.9917 0.0000 C 0 0 0 0 0 0 0 0 0 5.3792 -4.2917 0.0000 C 0 0 0 0 0 0 0 0 0 4.3417 -4.2792 0.0000 C 0 0 0 0 0 0 0 0 0 6.4292 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 4.8542 -5.1792 0.0000 C 0 0 0 0 0 0 0 0 0 6.4292 -0.6917 0.0000 C 0 0 0 0 0 0 0 0 0 5.3750 -4.8792 0.0000 C 0 0 0 0 0 0 0 0 0 5.9042 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 4.3417 -4.8750 0.0000 C 0 0 0 0 0 0 0 0 0 2.8000 -1.5917 0.0000 O 0 0 0 0 0 0 0 0 0 4.8417 -5.7792 0.0000 O 0 0 0 0 0 0 0 0 0 6.9500 0.2083 0.0000 O 0 0 0 0 0 0 0 0 0 4.3250 -6.0750 0.0000 C 0 0 0 0 0 0 0 0 0 7.4667 -0.0875 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 5 1 0 0 0 4 2 1 0 0 0 5 9 1 0 0 0 6 4 1 0 0 0 7 4 1 0 0 0 8 2 1 0 0 0 9 8 1 0 0 0 10 1 1 0 0 0 11 3 1 0 0 0 12 1 2 0 0 0 13 1 2 0 0 0 14 3 2 0 0 0 15 3 2 0 0 0 16 7 2 0 0 0 17 7 1 0 0 0 18 10 1 0 0 0 19 10 2 0 0 0 20 11 1 0 0 0 21 11 2 0 0 0 22 24 2 0 0 0 23 27 2 0 0 0 24 19 1 0 0 0 25 20 2 0 0 0 26 18 2 0 0 0 27 21 1 0 0 0 28 17 1 0 0 0 29 23 1 0 0 0 30 22 1 0 0 0 31 29 1 0 0 0 32 30 1 0 0 0 22 26 1 0 0 0 5 6 1 0 0 0 23 25 1 0 0 0 M END > 8.88605664769316 > 7.22184874961636 $$$$ SciTegic11161115462D 33 36 0 0 0 0 999 V2000 -3.1804 2.2039 0.0000 C 0 0 -3.8966 1.7924 0.0000 C 0 0 -3.8983 0.9710 0.0000 C 0 0 -3.1856 0.5548 0.0000 N 0 0 -2.4694 0.9663 0.0000 C 0 0 -2.4660 1.7939 0.0000 C 0 0 -2.4660 2.6165 0.0000 S 0 0 -2.0537 3.3311 0.0000 O 0 0 -2.8787 3.3309 0.0000 O 0 0 -1.7514 2.2042 0.0000 C 0 0 -1.7526 1.3768 0.0000 C 0 0 -1.0378 0.9640 0.0000 C 0 0 -0.3213 1.3773 0.0000 C 0 0 -0.3242 2.2078 0.0000 C 0 0 -1.0396 2.6170 0.0000 C 0 0 0.3938 0.9659 0.0000 O 0 0 -3.8949 2.6162 0.0000 C 0 0 -3.8951 3.4412 0.0000 O 0 0 -4.6093 2.2035 0.0000 N 0 0 -5.3239 2.6159 0.0000 O 0 0 1.1076 1.3796 0.0000 C 0 0 1.8194 0.9677 0.0000 C 0 0 2.5327 1.3807 0.0000 C 0 0 2.5319 2.2066 0.0000 C 0 0 1.8117 2.6178 0.0000 C 0 0 1.1013 2.2025 0.0000 C 0 0 -3.1885 -0.2702 0.0000 C 0 0 3.2451 2.6211 0.0000 O 0 0 3.9608 2.2107 0.0000 C 0 0 3.9632 1.3857 0.0000 C 0 0 4.6741 2.6253 0.0000 C 0 0 -3.6008 -0.9861 0.0000 C 0 0 -2.7758 -0.9890 0.0000 C 0 0 7 1 1 0 1 2 1 0 1 17 1 0 1 6 1 0 17 18 2 0 2 3 1 0 17 19 1 0 3 4 1 0 19 20 1 0 10 11 2 0 16 21 1 0 4 5 1 0 21 22 2 0 11 12 1 0 22 23 1 0 5 6 1 0 23 24 2 0 12 13 2 0 24 25 1 0 8 7 2 0 25 26 2 0 26 21 1 0 13 14 1 0 4 27 1 0 7 9 2 0 24 28 1 0 14 15 2 0 28 29 1 0 15 10 1 0 29 30 1 0 29 31 1 0 32 27 1 0 33 32 1 0 27 33 1 0 13 16 1 0 10 7 1 0 M END > 10 > 6.11350927482752 $$$$ 11280715142D 1 1.00000 0.00000 0 36 39 0 0 0 999 V2000 7.4292 -5.6542 0.0000 S 0 0 3 0 0 0 0 0 0 7.1375 -6.4375 0.0000 N 0 0 3 0 0 0 0 0 0 6.1000 -7.9667 0.0000 N 0 0 3 0 0 0 0 0 0 6.3250 -6.5000 0.0000 C 0 0 3 0 0 0 0 0 0 5.4875 -8.5167 0.0000 C 0 0 0 0 0 0 0 0 0 5.8542 -7.1792 0.0000 C 0 0 0 0 0 0 0 0 0 7.7042 -7.0375 0.0000 C 0 0 0 0 0 0 0 0 0 6.8667 -8.2667 0.0000 C 0 0 0 0 0 0 0 0 0 4.7042 -8.2667 0.0000 C 0 0 0 0 0 0 0 0 0 5.9125 -5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 7.5792 -7.8542 0.0000 C 0 0 0 0 0 0 0 0 0 7.7167 -4.8750 0.0000 C 0 0 0 0 0 0 0 0 0 6.9542 -4.7750 0.0000 O 0 0 0 0 0 0 0 0 0 8.2917 -5.5250 0.0000 O 0 0 0 0 0 0 0 0 0 5.6625 -9.3250 0.0000 O 0 0 0 0 0 0 0 0 0 4.0917 -8.8167 0.0000 C 0 0 0 0 0 0 0 0 0 4.5292 -7.4667 0.0000 C 0 0 0 0 0 0 0 0 0 6.3292 -5.0542 0.0000 O 0 0 0 0 0 0 0 0 0 5.0875 -5.7667 0.0000 N 0 0 0 0 0 0 0 0 0 7.1917 -4.2417 0.0000 C 0 0 0 0 0 0 0 0 0 8.5292 -4.7292 0.0000 C 0 0 0 0 0 0 0 0 0 3.3125 -8.5667 0.0000 C 0 0 0 0 0 0 0 0 0 3.7417 -7.2125 0.0000 C 0 0 0 0 0 0 0 0 0 8.2792 -3.3292 0.0000 C 0 0 0 0 0 0 0 0 0 3.1292 -7.7667 0.0000 C 0 0 0 0 0 0 0 0 0 7.4750 -3.4750 0.0000 C 0 0 0 0 0 0 0 0 0 8.8125 -3.9625 0.0000 C 0 0 0 0 0 0 0 0 0 3.5542 -6.4042 0.0000 F 0 0 0 0 0 0 0 0 0 4.6750 -5.0542 0.0000 O 0 0 0 0 0 0 0 0 0 8.3000 -8.2667 0.0000 C 0 0 0 0 0 0 0 0 0 6.8667 -9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 8.5667 -2.5417 0.0000 O 0 0 0 0 0 0 0 0 0 4.2667 -9.6292 0.0000 C 0 0 0 0 0 0 0 0 0 8.0292 -1.9125 0.0000 C 0 0 0 0 0 0 0 0 0 8.3000 -9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 7.5792 -9.5125 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 6 1 0 0 0 4 2 1 0 0 0 5 3 1 0 0 0 6 4 1 0 0 0 7 2 1 0 0 0 8 11 1 0 0 0 9 5 1 0 0 0 10 4 1 0 0 0 11 7 1 0 0 0 12 1 1 0 0 0 13 1 2 0 0 0 14 1 2 0 0 0 15 5 2 0 0 0 16 9 1 0 0 0 17 9 2 0 0 0 18 10 2 0 0 0 19 10 1 0 0 0 20 12 1 0 0 0 21 12 2 0 0 0 22 16 2 0 0 0 23 17 1 0 0 0 24 27 2 0 0 0 25 23 2 0 0 0 26 20 2 0 0 0 27 21 1 0 0 0 28 23 1 0 0 0 29 19 1 0 0 0 30 11 2 0 0 0 31 8 2 0 0 0 32 24 1 0 0 0 33 16 1 0 0 0 34 32 1 0 0 0 35 30 1 0 0 0 36 35 2 0 0 0 24 26 1 0 0 0 3 8 1 0 0 0 36 31 1 0 0 0 25 22 1 0 0 0 M END > 8.69897000433602 > 7.25963731050576 $$$$ 11280714562D 1 1.00000 0.00000 0 24 25 0 1 0 999 V2000 4.0667 -3.3417 0.0000 S 0 0 3 0 0 0 0 0 0 4.8917 -3.3417 0.0000 N 0 0 0 0 0 0 0 0 0 5.3000 -2.6292 0.0000 C 0 0 1 0 0 0 0 0 0 6.1250 -2.6167 0.0000 C 0 0 0 0 0 0 0 0 0 3.2417 -3.3542 0.0000 C 0 0 0 0 0 0 0 0 0 4.0625 -2.5167 0.0000 O 0 0 0 0 0 0 0 0 0 4.0625 -4.1667 0.0000 O 0 0 0 0 0 0 0 0 0 1.5917 -3.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0.7667 -3.4042 0.0000 C 0 0 0 0 0 0 0 0 0 6.5417 -3.3292 0.0000 O 0 0 0 0 0 0 0 0 0 2.8167 -2.6542 0.0000 C 0 0 0 0 0 0 0 0 0 2.8417 -4.0792 0.0000 C 0 0 0 0 0 0 0 0 0 4.8875 -1.9125 0.0000 C 0 0 3 0 0 0 0 0 0 2.0167 -4.0917 0.0000 C 0 0 0 0 0 0 0 0 0 1.9917 -2.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0.3750 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0.3375 -2.6875 0.0000 C 0 0 0 0 0 0 0 0 0 6.5375 -1.9042 0.0000 O 0 0 0 0 0 0 0 0 0 -0.8833 -3.4167 0.0000 C 0 0 0 0 0 0 0 0 0 -0.4875 -2.7042 0.0000 C 0 0 0 0 0 0 0 0 0 -0.4500 -4.1292 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7083 -3.4375 0.0000 Br 0 0 0 0 0 0 0 0 0 5.2917 -1.1917 0.0000 C 0 0 0 0 0 0 0 0 0 4.1667 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 1 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 14 2 0 0 0 9 8 1 0 0 0 10 4 2 0 0 0 11 5 1 0 0 0 12 5 2 0 0 0 3 13 1 6 0 0 14 12 1 0 0 0 15 11 2 0 0 0 16 9 2 0 0 0 17 9 1 0 0 0 18 4 1 0 0 0 19 20 1 0 0 0 20 17 2 0 0 0 21 16 1 0 0 0 22 19 1 0 0 0 23 13 1 0 0 0 24 13 1 0 0 0 8 15 1 0 0 0 21 19 2 0 0 0 M END > 7.79588001734407 > 5.20760831050175 $$$$ 11280715152D 1 1.00000 0.00000 0 29 30 0 1 0 999 V2000 2.2917 -4.2542 0.0000 S 0 0 3 0 0 0 0 0 0 2.6750 -2.0542 0.0000 C 0 0 2 0 0 0 0 0 0 3.3875 -1.6417 0.0000 C 0 0 2 0 0 0 0 0 0 4.1000 -2.0542 0.0000 C 0 0 0 0 0 0 0 0 0 2.0875 -3.4667 0.0000 N 0 0 3 0 0 0 0 0 0 2.6750 -2.8792 0.0000 C 0 0 0 0 0 0 0 0 0 4.8167 -1.6417 0.0000 N 0 0 3 0 0 0 0 0 0 1.9542 -1.6417 0.0000 C 0 0 0 0 0 0 0 0 0 2.5042 -5.0542 0.0000 N 0 0 3 0 0 0 0 0 0 3.0917 -4.0417 0.0000 O 0 0 0 0 0 0 0 0 0 1.4917 -4.4750 0.0000 O 0 0 0 0 0 0 0 0 0 3.3875 -0.8167 0.0000 C 0 0 0 0 0 0 0 0 0 4.1000 -2.8792 0.0000 O 0 0 0 0 0 0 0 0 0 1.9542 -0.8167 0.0000 O 0 0 0 0 0 0 0 0 0 1.2417 -2.0542 0.0000 N 0 0 0 0 0 0 0 0 0 0.5292 -1.6417 0.0000 O 0 0 0 0 0 0 0 0 0 1.2625 -3.4625 0.0000 C 0 0 0 0 0 0 0 0 0 5.5250 -2.0542 0.0000 C 0 0 0 0 0 0 0 0 0 4.8042 -0.8167 0.0000 C 0 0 0 0 0 0 0 0 0 3.9667 -0.2292 0.0000 C 0 0 3 0 0 0 0 0 0 1.9292 -5.6417 0.0000 C 0 0 0 0 0 0 0 0 0 3.3042 -5.2625 0.0000 C 0 0 0 0 0 0 0 0 0 4.7875 -0.3542 0.0000 C 0 0 0 0 0 0 0 0 0 3.8292 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 5.5292 -0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 6.2375 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 4.5667 0.9625 0.0000 C 0 0 0 0 0 0 0 0 0 5.1542 0.3833 0.0000 C 0 0 0 0 0 0 0 0 0 6.2417 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 2 6 1 6 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 1 1 0 0 0 6 5 1 0 0 0 7 4 1 0 0 0 8 2 1 0 0 0 9 1 1 0 0 0 10 1 2 0 0 0 11 1 2 0 0 0 3 12 1 1 0 0 13 4 2 0 0 0 14 8 2 0 0 0 15 8 1 0 0 0 16 15 1 0 0 0 17 5 1 0 0 0 18 7 1 0 0 0 19 7 1 0 0 0 20 12 1 0 0 0 21 9 1 0 0 0 22 9 1 0 0 0 23 20 1 0 0 0 24 20 1 0 0 0 25 19 1 0 0 0 26 18 1 0 0 0 27 24 1 0 0 0 28 23 1 0 0 0 29 25 1 0 0 0 28 27 1 0 0 0 26 29 1 0 0 0 M END > 7.39794000867204 > 8.22184874961636 $$$$ SciTegic01161211242D 83 84 0 0 0 0 999 V2000 -4.7792 -1.3250 0.0000 N 0 0 -4.0667 -0.9083 0.0000 C 0 0 1 0 0 0 -4.0713 -0.0833 0.0000 C 0 0 -3.3499 -1.3169 0.0000 C 0 0 -3.3591 0.3331 0.0000 C 0 0 -4.7880 0.3252 0.0000 C 0 0 -5.4959 -0.9165 0.0000 C 0 0 -4.7746 -2.1500 0.0000 C 0 0 -2.6377 -0.9004 0.0000 O 0 0 -3.3453 -2.1418 0.0000 O 0 0 -1.9210 -1.3089 0.0000 C 0 0 2 0 0 0 -1.2088 -0.8924 0.0000 C 0 0 -0.4921 -1.3009 0.0000 O 0 0 -1.2134 -0.0674 0.0000 O 0 0 -1.9164 -2.1339 0.0000 C 0 0 -2.6286 -2.5504 0.0000 C 0 0 -1.1996 -2.5424 0.0000 C 0 0 0.2201 -0.8845 0.0000 C 0 0 1 0 0 0 0.9368 -1.2930 0.0000 C 0 0 0.2155 -0.0595 0.0000 C 0 0 0.9277 0.3570 0.0000 C 0 0 -0.5013 0.3490 0.0000 C 0 0 0.9414 -2.1180 0.0000 O 0 0 1.6490 -0.8765 0.0000 N 0 0 2.3658 -1.2850 0.0000 C 0 0 2 0 0 0 3.0779 -0.8686 0.0000 C 0 0 2.3704 -2.1100 0.0000 C 0 0 3.0792 -2.5208 0.0000 C 0 0 3.0778 -3.3458 0.0000 C 0 0 3.7947 -1.2771 0.0000 N 0 0 3.0733 -0.0436 0.0000 O 0 0 3.7993 -2.1021 0.0000 C 0 0 4.5069 -0.8606 0.0000 C 0 0 2 0 0 0 5.2236 -1.2691 0.0000 C 0 0 4.5023 -0.0356 0.0000 C 0 0 5.2144 0.3808 0.0000 C 0 0 5.2098 1.2058 0.0000 N 0 0 5.9312 -0.0277 0.0000 O 0 0 5.2282 -2.0941 0.0000 O 0 0 5.9358 -0.8527 0.0000 N 0 0 6.6525 -1.2612 0.0000 C 0 0 2 0 0 0 7.3647 -0.8447 0.0000 C 0 0 2 0 0 0 6.6571 -2.0862 0.0000 C 0 0 7.3739 -2.4947 0.0000 C 0 0 7.3785 -3.3197 0.0000 C 0 0 8.0814 -1.2532 0.0000 C 0 0 7.3601 -0.0197 0.0000 O 0 0 8.0860 -2.0782 0.0000 C 0 0 8.7936 -0.8368 0.0000 C 0 0 9.5104 -1.2453 0.0000 N 0 0 8.7890 -0.0118 0.0000 O 0 0 10.2225 -0.8288 0.0000 C 0 0 2 0 0 0 10.9393 -1.2373 0.0000 C 0 0 10.2179 -0.0038 0.0000 C 0 0 2 0 0 0 10.9301 0.4127 0.0000 O 0 0 9.5012 0.4047 0.0000 C 0 0 10.9439 -2.0623 0.0000 O 0 0 11.6515 -0.8208 0.0000 N 0 0 12.3682 -1.2294 0.0000 C 0 0 2 0 0 0 13.0804 -0.8129 0.0000 C 0 0 13.7971 -1.2214 0.0000 N 0 0 13.0758 0.0121 0.0000 O 0 0 13.8017 -2.0464 0.0000 C 0 0 14.5093 -0.8049 0.0000 C 0 0 1 0 0 0 15.2260 -1.2135 0.0000 C 0 0 14.5050 0.0214 0.0000 C 0 0 14.0938 0.7366 0.0000 C 0 0 14.5102 1.4489 0.0000 C 0 0 14.0997 2.1636 0.0000 C 0 0 13.2738 2.1656 0.0000 C 0 0 12.8602 1.4469 0.0000 C 0 0 13.2730 0.7351 0.0000 C 0 0 15.2306 -2.0384 0.0000 O 0 0 15.9382 -0.7970 0.0000 N 0 0 16.6916 -1.1310 0.0000 C 0 0 1 0 0 0 17.2403 -0.5149 0.0000 C 0 0 16.8238 0.1973 0.0000 C 0 0 16.0178 0.0212 0.0000 C 0 0 16.8660 -1.9374 0.0000 C 0 0 16.2549 -2.4916 0.0000 O 0 0 17.6516 -2.1896 0.0000 O 0 0 18.2627 -1.6354 0.0000 C 0 0 12.3728 -2.0543 0.0000 C 0 0 41 42 1 0 9 11 1 0 41 43 1 6 20 22 1 0 43 44 1 0 3 6 1 0 44 45 1 0 44 48 1 0 19 23 2 0 42 46 1 0 11 12 1 0 42 47 1 1 19 24 1 0 1 2 1 0 46 49 1 0 24 25 1 0 49 50 1 0 12 13 1 0 49 51 2 0 25 26 1 0 52 50 1 1 1 7 1 0 52 53 1 0 25 27 1 6 52 54 1 0 12 14 2 0 54 55 1 1 27 28 1 0 54 56 1 0 28 32 1 0 53 57 2 0 2 4 1 0 53 58 1 0 28 29 1 0 58 59 1 0 11 15 1 6 59 60 1 0 26 30 1 0 60 61 1 0 1 8 1 0 60 62 2 0 26 31 2 0 61 63 1 0 15 16 1 0 61 64 1 0 64 65 1 0 30 33 1 0 64 66 1 6 15 17 1 0 66 67 1 0 33 34 1 0 67 68 2 0 4 9 1 0 68 69 1 0 33 35 1 1 69 70 2 0 13 18 1 0 70 71 1 0 35 36 1 0 71 72 2 0 72 67 1 0 3 5 1 0 65 73 2 0 36 37 1 0 65 74 1 0 74 75 1 0 18 19 1 0 36 38 2 0 4 10 2 0 34 39 2 0 75 76 1 0 76 77 1 0 77 78 1 0 78 74 1 0 18 20 1 6 75 79 1 1 34 40 1 0 79 80 2 0 2 3 1 1 79 81 1 0 40 41 1 0 81 82 1 0 20 21 1 0 59 83 1 6 M END > 5.30102999566398 > 5.30102999566398 $$$$ 11280715212D 1 1.00000 0.00000 0 29 31 0 0 0 999 V2000 -1.5625 1.5625 0.0000 S 0 0 3 0 0 0 0 0 0 -2.9958 1.5750 0.0000 C 0 0 3 0 0 0 0 0 0 -2.2833 1.9875 0.0000 N 0 0 0 0 0 0 0 0 0 -3.7125 1.9875 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8458 1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 1.2917 -4.2292 0.0000 N 0 0 0 0 0 0 0 0 0 -1.9875 0.8458 0.0000 O 0 0 0 0 0 0 0 0 0 -1.1375 2.2833 0.0000 O 0 0 0 0 0 0 0 0 0 1.2917 -3.4042 0.0000 C 0 0 0 0 0 0 0 0 0 -3.7125 2.8208 0.0000 O 0 0 0 0 0 0 0 0 0 -4.4250 1.5750 0.0000 N 0 0 0 0 0 0 0 0 0 -3.7208 1.1583 0.0000 C 0 0 0 0 0 0 0 0 0 -2.2833 1.1583 0.0000 C 0 0 0 0 0 0 0 0 0 -3.0000 -0.0875 0.0000 O 0 0 0 0 0 0 0 0 0 1.3042 -0.1042 0.0000 O 0 0 0 0 0 0 0 0 0 -0.1333 1.5500 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8458 0.3083 0.0000 C 0 0 0 0 0 0 0 0 0 1.2917 -2.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0.5875 0.3083 0.0000 C 0 0 0 0 0 0 0 0 0 1.3000 -0.9292 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1333 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0.5875 1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 -4.4250 0.7458 0.0000 O 0 0 0 0 0 0 0 0 0 0.5792 -2.1667 0.0000 C 0 0 0 0 0 0 0 0 0 2.0167 -2.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0.5792 -1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 2.0167 -1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 -3.7208 0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 -2.2833 0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 3 1 1 0 0 0 4 2 1 0 0 0 5 1 1 0 0 0 6 9 3 0 0 0 7 1 2 0 0 0 8 1 2 0 0 0 9 18 1 0 0 0 10 4 2 0 0 0 11 4 1 0 0 0 12 2 1 0 0 0 13 2 1 0 0 0 14 29 1 0 0 0 15 19 1 0 0 0 16 5 1 0 0 0 17 5 2 0 0 0 18 25 1 0 0 0 19 21 2 0 0 0 20 15 1 0 0 0 21 17 1 0 0 0 22 16 2 0 0 0 23 11 1 0 0 0 24 26 1 0 0 0 25 27 2 0 0 0 26 20 2 0 0 0 27 20 1 0 0 0 28 12 1 0 0 0 29 13 1 0 0 0 22 19 1 0 0 0 14 28 1 0 0 0 18 24 2 0 0 0 M END > 8.76955107862173 > 5.31875876262441 $$$$ 11280715142D 1 1.00000 0.00000 0 40 44 0 0 0 999 V2000 6.6750 -5.9625 0.0000 S 0 0 3 0 0 0 0 0 0 6.3792 -6.7417 0.0000 N 0 0 3 0 0 0 0 0 0 5.3417 -8.2750 0.0000 N 0 0 3 0 0 0 0 0 0 5.5667 -6.8042 0.0000 C 0 0 3 0 0 0 0 0 0 4.7292 -8.8292 0.0000 C 0 0 0 0 0 0 0 0 0 5.1042 -7.4875 0.0000 C 0 0 0 0 0 0 0 0 0 6.9500 -7.3417 0.0000 C 0 0 0 0 0 0 0 0 0 6.1167 -8.5792 0.0000 C 0 0 0 0 0 0 0 0 0 5.1542 -6.0792 0.0000 C 0 0 0 0 0 0 0 0 0 6.8292 -8.1667 0.0000 C 0 0 0 0 0 0 0 0 0 6.9625 -5.1792 0.0000 C 0 0 0 0 0 0 0 0 0 7.6667 -5.9000 0.0000 O 0 0 0 0 0 0 0 0 0 6.0167 -5.2417 0.0000 O 0 0 0 0 0 0 0 0 0 3.9500 -8.5750 0.0000 O 0 0 0 0 0 0 0 0 0 4.9042 -9.6292 0.0000 C 0 0 0 0 0 0 0 0 0 5.5792 -5.3667 0.0000 O 0 0 0 0 0 0 0 0 0 4.3292 -6.0792 0.0000 N 0 0 0 0 0 0 0 0 0 6.4375 -4.5542 0.0000 C 0 0 0 0 0 0 0 0 0 7.7750 -5.0417 0.0000 C 0 0 0 0 0 0 0 0 0 7.8125 -2.8542 0.0000 O 0 0 0 0 0 0 0 0 0 7.5292 -3.6375 0.0000 C 0 0 0 0 0 0 0 0 0 7.2792 -2.2167 0.0000 C 0 0 0 0 0 0 0 0 0 6.2167 -0.9625 0.0000 C 0 0 0 0 0 0 0 0 0 6.7167 -3.7792 0.0000 C 0 0 0 0 0 0 0 0 0 8.0542 -4.2667 0.0000 C 0 0 0 0 0 0 0 0 0 5.6792 -0.3292 0.0000 Cl 0 0 0 0 0 0 0 0 0 3.9167 -5.3667 0.0000 O 0 0 0 0 0 0 0 0 0 6.4667 -2.3667 0.0000 C 0 0 0 0 0 0 0 0 0 7.5542 -1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 7.0250 -0.8167 0.0000 C 0 0 0 0 0 0 0 0 0 5.9417 -1.7375 0.0000 C 0 0 0 0 0 0 0 0 0 7.5417 -8.5792 0.0000 C 0 0 0 0 0 0 0 0 0 6.1167 -9.4042 0.0000 C 0 0 0 0 0 0 0 0 0 4.3000 -10.1875 0.0000 C 0 0 0 0 0 0 0 0 0 5.6917 -9.8875 0.0000 C 0 0 0 0 0 0 0 0 0 7.5417 -9.4042 0.0000 C 0 0 0 0 0 0 0 0 0 6.8292 -9.8167 0.0000 C 0 0 0 0 0 0 0 0 0 5.8667 -10.6917 0.0000 C 0 0 0 0 0 0 0 0 0 4.4750 -10.9875 0.0000 C 0 0 0 0 0 0 0 0 0 5.2542 -11.2417 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 6 1 0 0 0 4 2 1 0 0 0 5 3 1 0 0 0 6 4 1 0 0 0 7 2 1 0 0 0 8 10 1 0 0 0 9 4 1 0 0 0 10 7 1 0 0 0 11 1 1 0 0 0 12 1 2 0 0 0 13 1 2 0 0 0 14 5 2 0 0 0 15 5 1 0 0 0 16 9 2 0 0 0 17 9 1 0 0 0 18 11 1 0 0 0 19 11 2 0 0 0 20 21 1 0 0 0 21 25 2 0 0 0 22 20 1 0 0 0 23 30 2 0 0 0 24 18 2 0 0 0 25 19 1 0 0 0 26 23 1 0 0 0 27 17 1 0 0 0 28 22 1 0 0 0 29 22 2 0 0 0 30 29 1 0 0 0 31 28 2 0 0 0 32 10 2 0 0 0 33 8 2 0 0 0 34 15 2 0 0 0 35 15 1 0 0 0 36 32 1 0 0 0 37 36 2 0 0 0 38 35 2 0 0 0 39 34 1 0 0 0 40 38 1 0 0 0 24 21 1 0 0 0 3 8 1 0 0 0 37 33 1 0 0 0 23 31 1 0 0 0 40 39 2 0 0 0 M END > 8.69897000433602 > 7.22914798835786 $$$$ 11280715012D 1 1.00000 0.00000 0 36 39 0 1 0 999 V2000 4.0500 -0.8250 0.0000 S 0 0 3 0 0 0 0 0 0 3.3292 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 2.6125 -0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 1.9000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 4.7625 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 4.6292 -1.4125 0.0000 O 0 0 0 0 0 0 0 0 0 3.4625 -1.4125 0.0000 O 0 0 0 0 0 0 0 0 0 2.6167 -1.6500 0.0000 C 0 0 3 0 0 0 0 0 0 6.1917 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 6.9042 0.8333 0.0000 C 0 0 0 0 0 0 0 0 0 1.9000 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 2.6125 -4.1167 0.0000 N 0 0 0 0 0 0 0 0 0 5.4750 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 4.7625 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 6.1917 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 5.4750 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 6.9000 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 7.6167 0.4208 0.0000 C 0 0 0 0 0 0 0 0 0 1.9000 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 3.3292 -2.0542 0.0000 C 0 0 0 0 0 0 0 0 0 1.1875 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 2.6125 -3.2917 0.0000 C 0 0 3 0 0 0 0 0 0 3.3250 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 8.3250 1.6625 0.0000 C 0 0 0 0 0 0 0 0 0 7.6042 2.0708 0.0000 C 0 0 0 0 0 0 0 0 0 8.3292 0.8333 0.0000 C 0 0 0 0 0 0 0 0 0 3.3250 -2.8792 0.0000 C 0 0 0 0 0 0 0 0 0 1.9000 -2.8792 0.0000 C 0 0 0 0 0 0 0 0 0 3.3250 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 9.0375 2.0833 0.0000 O 0 0 0 0 0 0 0 0 0 2.6042 -5.7667 0.0000 C 0 0 0 0 0 0 0 0 0 4.0375 -5.7667 0.0000 C 0 0 0 0 0 0 0 0 0 9.7542 1.6625 0.0000 C 0 0 0 0 0 0 0 0 0 4.0375 -6.5875 0.0000 C 0 0 0 0 0 0 0 0 0 2.6000 -6.5875 0.0000 C 0 0 0 0 0 0 0 0 0 3.3167 -7.0042 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 6 0 0 4 3 1 0 0 0 5 1 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 3 1 0 0 0 9 16 2 0 0 0 10 9 1 0 0 0 11 4 2 0 0 0 12 22 1 0 0 0 13 5 1 0 0 0 14 5 2 0 0 0 15 13 2 0 0 0 16 14 1 0 0 0 17 10 1 0 0 0 18 10 2 0 0 0 19 8 1 0 0 0 20 8 1 0 0 0 21 4 1 0 0 0 22 27 1 0 0 0 23 12 1 0 0 0 24 26 2 0 0 0 25 17 2 0 0 0 26 18 1 0 0 0 27 20 1 0 0 0 28 19 1 0 0 0 29 23 1 0 0 0 30 24 1 0 0 0 31 29 2 0 0 0 32 29 1 0 0 0 33 30 1 0 0 0 34 32 2 0 0 0 35 31 1 0 0 0 36 34 1 0 0 0 15 9 1 0 0 0 28 22 1 0 0 0 24 25 1 0 0 0 35 36 2 0 0 0 M END > 7.67778070526608 > 5.17211401721014 $$$$ 11280715142D 1 1.00000 0.00000 0 36 39 0 0 0 999 V2000 6.6750 -5.9792 0.0000 S 0 0 3 0 0 0 0 0 0 6.3792 -6.7667 0.0000 N 0 0 3 0 0 0 0 0 0 5.5667 -6.8292 0.0000 C 0 0 3 0 0 0 0 0 0 5.3417 -8.2917 0.0000 N 0 0 3 0 0 0 0 0 0 5.1042 -7.5042 0.0000 C 0 0 0 0 0 0 0 0 0 6.9500 -7.3667 0.0000 C 0 0 0 0 0 0 0 0 0 5.1542 -6.1042 0.0000 C 0 0 0 0 0 0 0 0 0 6.1167 -8.6000 0.0000 C 0 0 0 0 0 0 0 0 0 6.8292 -8.1875 0.0000 C 0 0 0 0 0 0 0 0 0 4.7292 -8.8500 0.0000 C 0 0 0 0 0 0 0 0 0 6.9625 -5.2042 0.0000 C 0 0 0 0 0 0 0 0 0 7.6042 -6.0875 0.0000 O 0 0 0 0 0 0 0 0 0 6.0167 -5.3042 0.0000 O 0 0 0 0 0 0 0 0 0 5.5792 -5.3875 0.0000 O 0 0 0 0 0 0 0 0 0 3.9500 -8.5917 0.0000 O 0 0 0 0 0 0 0 0 0 4.3292 -6.1000 0.0000 N 0 0 0 0 0 0 0 0 0 6.2250 -0.9792 0.0000 N 0 0 0 0 0 0 0 0 0 6.4375 -4.5750 0.0000 C 0 0 0 0 0 0 0 0 0 7.7750 -5.0625 0.0000 C 0 0 0 0 0 0 0 0 0 7.8125 -2.8750 0.0000 O 0 0 0 0 0 0 0 0 0 7.2792 -2.2417 0.0000 C 0 0 0 0 0 0 0 0 0 7.5292 -3.6542 0.0000 C 0 0 0 0 0 0 0 0 0 8.0542 -4.2917 0.0000 C 0 0 0 0 0 0 0 0 0 6.7167 -3.8042 0.0000 C 0 0 0 0 0 0 0 0 0 3.9167 -5.3875 0.0000 O 0 0 0 0 0 0 0 0 0 7.5625 -1.4667 0.0000 C 0 0 0 0 0 0 0 0 0 6.4667 -2.3792 0.0000 C 0 0 0 0 0 0 0 0 0 4.9042 -9.6542 0.0000 C 0 0 0 0 0 0 0 0 0 7.5417 -8.6000 0.0000 C 0 0 0 0 0 0 0 0 0 6.1167 -9.4292 0.0000 C 0 0 0 0 0 0 0 0 0 5.9417 -1.7542 0.0000 C 0 0 0 0 0 0 0 0 0 7.0292 -0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 5.6917 -9.9042 0.0000 O 0 0 0 0 0 0 0 0 0 5.8667 -10.7125 0.0000 C 0 0 0 0 0 0 0 0 0 7.5417 -9.4292 0.0000 C 0 0 0 0 0 0 0 0 0 6.8292 -9.8417 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 5 1 0 0 0 5 3 1 0 0 0 6 2 1 0 0 0 7 3 1 0 0 0 8 9 1 0 0 0 9 6 1 0 0 0 10 4 1 0 0 0 11 1 1 0 0 0 12 1 2 0 0 0 13 1 2 0 0 0 14 7 2 0 0 0 15 10 2 0 0 0 16 7 1 0 0 0 17 31 1 0 0 0 18 11 1 0 0 0 19 11 2 0 0 0 20 22 1 0 0 0 21 20 1 0 0 0 22 23 2 0 0 0 23 19 1 0 0 0 24 18 2 0 0 0 25 16 1 0 0 0 26 21 2 0 0 0 27 21 1 0 0 0 28 10 1 0 0 0 29 9 2 0 0 0 30 8 2 0 0 0 31 27 2 0 0 0 32 26 1 0 0 0 33 28 1 0 0 0 34 33 1 0 0 0 35 29 1 0 0 0 36 35 2 0 0 0 22 24 1 0 0 0 4 8 1 0 0 0 36 30 1 0 0 0 17 32 2 0 0 0 M END > 8.69897000433602 > 6.11747546204512 $$$$ 11280715332D 1 1.00000 0.00000 0 26 28 0 1 0 999 V2000 5.4417 -3.8167 0.0000 S 0 0 3 0 0 0 0 0 0 5.7292 -4.6000 0.0000 N 0 0 3 0 0 0 0 0 0 5.2042 -5.2292 0.0000 C 0 0 1 0 0 0 0 0 0 4.3792 -5.1875 0.0000 C 0 0 0 0 0 0 0 0 0 6.2250 -3.5292 0.0000 C 0 0 0 0 0 0 0 0 0 6.4917 -4.9042 0.0000 C 0 0 0 0 0 0 0 0 0 6.4375 -5.7292 0.0000 C 0 0 0 0 0 0 0 0 0 5.1542 -3.0417 0.0000 O 0 0 0 0 0 0 0 0 0 4.6667 -4.1042 0.0000 O 0 0 0 0 0 0 0 0 0 5.6417 -5.9250 0.0000 C 0 0 0 0 0 0 0 0 0 4.0042 -4.4542 0.0000 O 0 0 0 0 0 0 0 0 0 3.9250 -5.8792 0.0000 N 0 0 0 0 0 0 0 0 0 7.0625 -6.2667 0.0000 C 0 0 0 0 0 0 0 0 0 6.8542 -4.0542 0.0000 C 0 0 0 0 0 0 0 0 0 6.3667 -2.7167 0.0000 C 0 0 0 0 0 0 0 0 0 8.5542 -2.6792 0.0000 O 0 0 0 0 0 0 0 0 0 7.7667 -2.9667 0.0000 C 0 0 0 0 0 0 0 0 0 7.6250 -3.7750 0.0000 C 0 0 0 0 0 0 0 0 0 7.1375 -2.4375 0.0000 C 0 0 0 0 0 0 0 0 0 9.1875 -3.2167 0.0000 C 0 0 0 0 0 0 0 0 0 3.1000 -5.8375 0.0000 O 0 0 0 0 0 0 0 0 0 9.0417 -4.0250 0.0000 C 0 0 0 0 0 0 0 0 0 9.9625 -2.9375 0.0000 C 0 0 0 0 0 0 0 0 0 10.5917 -3.4667 0.0000 C 0 0 0 0 0 0 0 0 0 9.6667 -4.5542 0.0000 C 0 0 0 0 0 0 0 0 0 10.4417 -4.2792 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 1 1 0 0 0 6 2 1 0 0 0 7 6 1 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 3 10 1 6 0 0 11 4 2 0 0 0 12 4 1 0 0 0 13 7 2 0 0 0 14 5 2 0 0 0 15 5 1 0 0 0 16 17 1 0 0 0 17 19 1 0 0 0 18 14 1 0 0 0 19 15 2 0 0 0 20 16 1 0 0 0 21 12 1 0 0 0 22 20 2 0 0 0 23 20 1 0 0 0 24 23 2 0 0 0 25 22 1 0 0 0 26 24 1 0 0 0 17 18 2 0 0 0 7 10 1 0 0 0 26 25 2 0 0 0 M END > 9.39794000867204 > 7.82390874094432 $$$$ 11280715122D 1 1.00000 0.00000 0 36 39 0 0 0 999 V2000 5.2292 -0.7667 0.0000 S 0 0 3 0 0 0 0 0 0 5.4125 -1.5792 0.0000 N 0 0 3 0 0 0 0 0 0 4.7667 -2.0875 0.0000 C 0 0 3 0 0 0 0 0 0 5.4125 -3.4292 0.0000 N 0 0 3 0 0 0 0 0 0 5.2292 -4.2292 0.0000 C 0 0 0 0 0 0 0 0 0 4.7667 -2.9167 0.0000 C 0 0 0 0 0 0 0 0 0 4.0250 -1.7250 0.0000 C 0 0 0 0 0 0 0 0 0 4.4417 -4.4750 0.0000 C 0 0 0 0 0 0 0 0 0 4.2667 -5.2792 0.0000 C 0 0 0 0 0 0 0 0 0 5.8375 -0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 6.0292 -0.9792 0.0000 O 0 0 0 0 0 0 0 0 0 4.4292 -0.5542 0.0000 O 0 0 0 0 0 0 0 0 0 5.8375 -4.7917 0.0000 O 0 0 0 0 0 0 0 0 0 3.9667 -0.9042 0.0000 O 0 0 0 0 0 0 0 0 0 3.3417 -2.1875 0.0000 N 0 0 0 0 0 0 0 0 0 4.8667 -5.8375 0.0000 C 0 0 0 0 0 0 0 0 0 6.2167 -1.7625 0.0000 C 0 0 0 0 0 0 0 0 0 6.6250 -0.4542 0.0000 C 0 0 0 0 0 0 0 0 0 5.6542 0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 6.2167 -3.2417 0.0000 C 0 0 0 0 0 0 0 0 0 6.5667 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 7.0500 0.9083 0.0000 C 0 0 0 0 0 0 0 0 0 6.2542 1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 7.2292 0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 2.6000 -1.8292 0.0000 O 0 0 0 0 0 0 0 0 0 3.8417 -3.9125 0.0000 C 0 0 0 0 0 0 0 0 0 7.6542 1.4625 0.0000 O 0 0 0 0 0 0 0 0 0 3.4792 -5.5250 0.0000 C 0 0 0 0 0 0 0 0 0 4.6917 -6.6417 0.0000 C 0 0 0 0 0 0 0 0 0 5.6542 -5.5875 0.0000 C 0 0 0 0 0 0 0 0 0 8.4417 1.2208 0.0000 C 0 0 0 0 0 0 0 0 0 3.0542 -4.1542 0.0000 C 0 0 0 0 0 0 0 0 0 2.8667 -4.9625 0.0000 C 0 0 0 0 0 0 0 0 0 6.2625 -6.1417 0.0000 C 0 0 0 0 0 0 0 0 0 5.2917 -7.2000 0.0000 C 0 0 0 0 0 0 0 0 0 6.0875 -6.9500 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 6 1 0 0 0 5 4 1 0 0 0 6 3 1 0 0 0 7 3 1 0 0 0 8 5 1 0 0 0 9 8 1 0 0 0 10 1 1 0 0 0 11 1 2 0 0 0 12 1 2 0 0 0 13 5 2 0 0 0 14 7 2 0 0 0 15 7 1 0 0 0 16 9 1 0 0 0 17 2 1 0 0 0 18 10 2 0 0 0 19 10 1 0 0 0 20 21 1 0 0 0 21 17 1 0 0 0 22 23 1 0 0 0 23 19 2 0 0 0 24 18 1 0 0 0 25 15 1 0 0 0 26 8 2 0 0 0 27 22 1 0 0 0 28 9 2 0 0 0 29 16 2 0 0 0 30 16 1 0 0 0 31 27 1 0 0 0 32 26 1 0 0 0 33 32 2 0 0 0 34 30 2 0 0 0 35 29 1 0 0 0 36 34 1 0 0 0 22 24 2 0 0 0 4 20 1 0 0 0 33 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1 0 0 0 5 4 2 0 0 0 6 3 1 0 0 0 7 5 1 0 0 0 8 2 1 0 0 0 9 10 1 0 0 0 10 8 1 0 0 0 11 2 2 0 0 0 12 2 2 0 0 0 13 4 1 0 0 0 14 3 1 0 0 0 15 9 2 0 0 0 16 6 1 0 0 0 17 5 1 0 0 0 18 7 1 0 0 0 19 9 1 0 0 0 20 19 1 0 0 0 6 7 2 0 0 0 M END > 7.26760624017703 > 7.26760624017703 $$$$ 11280715232D 1 1.00000 0.00000 0 31 32 0 0 0 999 V2000 4.9792 -3.4917 0.0000 S 0 0 3 0 0 0 0 0 0 5.7042 -3.8792 0.0000 C 0 0 0 0 0 0 0 0 0 4.2792 -3.0792 0.0000 N 0 0 3 0 0 0 0 0 0 5.7042 -4.6917 0.0000 C 0 0 0 0 0 0 0 0 0 6.3875 -3.4542 0.0000 C 0 0 0 0 0 0 0 0 0 7.1000 -3.8375 0.0000 C 0 0 0 0 0 0 0 0 0 6.4292 -5.0750 0.0000 C 0 0 0 0 0 0 0 0 0 7.1292 -4.6500 0.0000 C 0 0 0 0 0 0 0 0 0 7.1000 -0.6417 0.0000 N 0 3 0 0 0 0 0 0 0 3.5750 -3.4917 0.0000 C 0 0 3 0 0 0 0 0 0 2.8667 -3.0792 0.0000 C 0 0 0 0 0 0 0 0 0 4.2417 -4.2042 0.0000 O 0 0 0 0 0 0 0 0 0 5.6875 -2.7625 0.0000 O 0 0 0 0 0 0 0 0 0 6.4000 -1.0500 0.0000 C 0 0 0 0 0 0 0 0 0 4.2792 -2.2667 0.0000 C 0 0 0 0 0 0 0 0 0 7.8042 -1.0500 0.0000 O 0 5 0 0 0 0 0 0 0 7.1000 0.1708 0.0000 O 0 0 0 0 0 0 0 0 0 2.1667 -3.4917 0.0000 O 0 0 0 0 0 0 0 0 0 5.0125 -5.1042 0.0000 F 0 0 0 0 0 0 0 0 0 6.3667 -2.6417 0.0000 F 0 0 0 0 0 0 0 0 0 2.8667 -2.2667 0.0000 N 0 0 0 0 0 0 0 0 0 7.7917 -3.4125 0.0000 F 0 0 0 0 0 0 0 0 0 6.4500 -5.9000 0.0000 F 0 0 0 0 0 0 0 0 0 7.8375 -5.0500 0.0000 F 0 0 0 0 0 0 0 0 0 5.6875 -0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 6.4000 -1.8625 0.0000 C 0 0 0 0 0 0 0 0 0 4.9792 -1.8625 0.0000 C 0 0 0 0 0 0 0 0 0 4.9792 -1.0500 0.0000 C 0 0 0 0 0 0 0 0 0 5.6917 -2.2667 0.0000 C 0 0 0 0 0 0 0 0 0 3.5750 -4.3042 0.0000 C 0 0 0 0 0 0 0 0 0 2.1667 -1.8625 0.0000 O 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 2 2 0 0 0 5 2 1 0 0 0 6 5 2 0 0 0 7 4 1 0 0 0 8 6 1 0 0 0 9 14 1 0 0 0 10 3 1 0 0 0 11 10 1 0 0 0 12 1 2 0 0 0 13 1 2 0 0 0 14 26 2 0 0 0 15 3 1 0 0 0 16 9 1 0 0 0 17 9 2 0 0 0 18 11 2 0 0 0 19 4 1 0 0 0 20 5 1 0 0 0 21 11 1 0 0 0 22 6 1 0 0 0 23 7 1 0 0 0 24 8 1 0 0 0 25 28 2 0 0 0 26 29 1 0 0 0 27 15 1 0 0 0 28 27 1 0 0 0 29 27 2 0 0 0 30 10 1 0 0 0 31 21 1 0 0 0 7 8 2 0 0 0 14 25 1 0 0 0 M CHG 2 9 1 16 -1 M END > 8.30102999566398 > 8.39794000867204 $$$$ 11280714592D 1 1.00000 0.00000 0 38 40 0 0 0 999 V2000 3.9000 -7.2292 0.0000 S 0 0 3 0 0 0 0 0 0 7.5667 -7.2167 0.0000 S 0 0 3 0 0 0 0 0 0 3.3792 -6.9292 0.0000 N 0 0 3 0 0 0 0 0 0 6.9917 -7.0167 0.0000 N 0 0 0 0 0 0 0 0 0 5.4667 -5.1167 0.0000 N 0 3 0 0 0 0 0 0 0 6.5417 -7.4167 0.0000 C 0 0 0 0 0 0 0 0 0 4.4250 -7.5292 0.0000 C 0 0 0 0 0 0 0 0 0 2.8542 -7.2292 0.0000 C 0 0 0 0 0 0 0 0 0 8.1375 -7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 3.5917 -7.7500 0.0000 O 0 0 0 0 0 0 0 0 0 4.2125 -6.7125 0.0000 O 0 0 0 0 0 0 0 0 0 2.3292 -6.9292 0.0000 C 0 0 0 0 0 0 0 0 0 4.9292 -7.2292 0.0000 C 0 0 0 0 0 0 0 0 0 4.9542 -5.4167 0.0000 C 0 0 0 0 0 0 0 0 0 7.7667 -6.6500 0.0000 O 0 0 0 0 0 0 0 0 0 7.3750 -7.7875 0.0000 O 0 0 0 0 0 0 0 0 0 5.9667 -7.2167 0.0000 N 0 0 0 0 0 0 0 0 0 5.9917 -5.4167 0.0000 O 0 5 0 0 0 0 0 0 0 3.3792 -6.3292 0.0000 C 0 0 0 0 0 0 0 0 0 5.4667 -4.5167 0.0000 O 0 0 0 0 0 0 0 0 0 5.4417 -7.5250 0.0000 C 0 0 0 0 0 0 0 0 0 6.5542 -8.0292 0.0000 O 0 0 0 0 0 0 0 0 0 1.8042 -7.2292 0.0000 O 0 0 0 0 0 0 0 0 0 8.5917 -7.0292 0.0000 C 0 0 0 0 0 0 0 0 0 8.2417 -8.0167 0.0000 C 0 0 0 0 0 0 0 0 0 4.4250 -5.1167 0.0000 C 0 0 0 0 0 0 0 0 0 4.9542 -6.0250 0.0000 C 0 0 0 0 0 0 0 0 0 3.9000 -6.0250 0.0000 C 0 0 0 0 0 0 0 0 0 9.2667 -7.8250 0.0000 C 0 0 0 0 0 0 0 0 0 2.3292 -6.3292 0.0000 O 0 0 0 0 0 0 0 0 0 3.9000 -5.4167 0.0000 C 0 0 0 0 0 0 0 0 0 4.4292 -6.3292 0.0000 C 0 0 0 0 0 0 0 0 0 8.8042 -8.2167 0.0000 C 0 0 0 0 0 0 0 0 0 9.1542 -7.2292 0.0000 C 0 0 0 0 0 0 0 0 0 9.8417 -8.0292 0.0000 F 0 0 0 0 0 0 0 0 0 4.4167 -8.1292 0.0000 C 0 0 0 0 0 0 0 0 0 4.9292 -8.4250 0.0000 C 0 0 0 0 0 0 0 0 0 5.4417 -8.1292 0.0000 C 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 3 1 1 0 0 0 4 6 1 0 0 0 5 14 1 0 0 0 6 17 1 0 0 0 7 1 1 0 0 0 8 3 1 0 0 0 9 2 1 0 0 0 10 1 2 0 0 0 11 1 2 0 0 0 12 8 1 0 0 0 13 7 1 0 0 0 14 27 2 0 0 0 15 2 2 0 0 0 16 2 2 0 0 0 17 21 1 0 0 0 18 5 1 0 0 0 19 3 1 0 0 0 20 5 2 0 0 0 21 13 2 0 0 0 22 6 2 0 0 0 23 12 2 0 0 0 24 9 1 0 0 0 25 9 2 0 0 0 26 31 2 0 0 0 27 32 1 0 0 0 28 19 1 0 0 0 29 33 2 0 0 0 30 12 1 0 0 0 31 28 1 0 0 0 32 28 2 0 0 0 33 25 1 0 0 0 34 24 2 0 0 0 35 29 1 0 0 0 36 7 2 0 0 0 37 36 1 0 0 0 38 37 2 0 0 0 21 38 1 0 0 0 26 14 1 0 0 0 34 29 1 0 0 0 M CHG 2 5 1 18 -1 M END > 7.52287874528034 > 7.52287874528034 $$$$ 11280714532D 1 1.00000 0.00000 0 28 30 0 0 0 999 V2000 5.2792 0.2458 0.0000 S 0 0 3 0 0 0 0 0 0 4.5750 -1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 4.5667 -0.1792 0.0000 N 0 0 3 0 0 0 0 0 0 3.8625 -1.4167 0.0000 C 0 0 0 0 0 0 0 0 0 5.2917 -1.4167 0.0000 C 0 0 0 0 0 0 0 0 0 4.5750 -2.6542 0.0000 N 0 0 0 0 0 0 0 0 0 5.2917 -2.2417 0.0000 C 0 0 0 0 0 0 0 0 0 3.1500 -1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 3.8625 -2.2417 0.0000 C 0 0 0 0 0 0 0 0 0 5.9917 0.6458 0.0000 C 0 0 0 0 0 0 0 0 0 5.6875 -0.4667 0.0000 O 0 0 0 0 0 0 0 0 0 4.8625 0.9583 0.0000 O 0 0 0 0 0 0 0 0 0 6.0042 -2.6542 0.0000 C 0 0 0 0 0 0 0 0 0 3.1500 -0.1792 0.0000 O 0 0 0 0 0 0 0 0 0 2.4292 -1.4167 0.0000 N 0 0 0 0 0 0 0 0 0 6.7042 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 6.0042 1.4708 0.0000 C 0 0 0 0 0 0 0 0 0 6.0000 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 3.8500 0.2333 0.0000 C 0 0 0 0 0 0 0 0 0 6.0042 -3.4792 0.0000 Br 0 0 0 0 0 0 0 0 0 7.4292 1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 7.4250 0.6250 0.0000 C 0 0 0 0 0 0 0 0 0 6.7167 1.8708 0.0000 C 0 0 0 0 0 0 0 0 0 1.7167 -1.0042 0.0000 O 0 0 0 0 0 0 0 0 0 8.1542 1.8583 0.0000 O 0 0 0 0 0 0 0 0 0 6.7167 -1.4042 0.0000 C 0 0 0 0 0 0 0 0 0 6.7167 -2.2375 0.0000 C 0 0 0 0 0 0 0 0 0 8.8625 1.4375 0.0000 C 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 3 1 1 0 0 0 4 2 1 0 0 0 5 2 2 0 0 0 6 7 2 0 0 0 7 5 1 0 0 0 8 4 1 0 0 0 9 4 2 0 0 0 10 1 1 0 0 0 11 1 2 0 0 0 12 1 2 0 0 0 13 7 1 0 0 0 14 8 2 0 0 0 15 8 1 0 0 0 16 10 2 0 0 0 17 10 1 0 0 0 18 5 1 0 0 0 19 3 1 0 0 0 20 13 1 0 0 0 21 23 1 0 0 0 22 16 1 0 0 0 23 17 2 0 0 0 24 15 1 0 0 0 25 21 1 0 0 0 26 18 2 0 0 0 27 26 1 0 0 0 28 25 1 0 0 0 21 22 2 0 0 0 6 9 1 0 0 0 27 13 2 0 0 0 M END > 8.69897000433602 > 6.64781748188864 $$$$ 11280714482D 1 1.00000 0.00000 0 24 26 0 1 0 999 V2000 3.6500 0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 2.8417 0.6208 0.0000 N 0 0 0 0 0 0 0 0 0 2.7542 -0.2042 0.0000 C 0 0 1 0 0 0 0 0 0 4.0625 0.0708 0.0000 C 0 0 1 0 0 0 0 0 0 2.0417 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 3.5042 -0.5417 0.0000 C 0 0 0 0 0 0 0 0 0 4.8792 -0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 3.9792 1.5458 0.0000 O 0 0 0 0 0 0 0 0 0 2.0417 -1.4417 0.0000 O 0 0 0 0 0 0 0 0 0 1.3292 -0.2042 0.0000 N 0 0 0 0 0 0 0 0 0 7.3375 -0.2667 0.0000 O 0 0 0 0 0 0 0 0 0 5.3542 0.6583 0.0000 C 0 0 0 0 0 0 0 0 0 5.2125 -0.7667 0.0000 C 0 0 0 0 0 0 0 0 0 6.5167 -0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 7.6750 -1.0250 0.0000 C 0 0 0 0 0 0 0 0 0 8.3500 -2.5292 0.0000 C 0 0 0 0 0 0 0 0 0 6.0292 -0.8542 0.0000 C 0 0 0 0 0 0 0 0 0 6.1792 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 8.6875 -3.2792 0.0000 F 0 0 0 0 0 0 0 0 0 0.6167 -0.6167 0.0000 O 0 0 0 0 0 0 0 0 0 8.4917 -1.1042 0.0000 C 0 0 0 0 0 0 0 0 0 7.1917 -1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 7.5250 -2.4417 0.0000 C 0 0 0 0 0 0 0 0 0 8.8292 -1.8542 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 1 1 0 0 0 3 5 1 6 0 0 6 4 1 0 0 0 4 7 1 6 0 0 8 1 2 0 0 0 9 5 2 0 0 0 10 5 1 0 0 0 11 14 1 0 0 0 12 7 1 0 0 0 13 7 2 0 0 0 14 17 2 0 0 0 15 11 1 0 0 0 16 23 2 0 0 0 17 13 1 0 0 0 18 12 2 0 0 0 19 16 1 0 0 0 20 10 1 0 0 0 21 15 1 0 0 0 22 15 2 0 0 0 23 22 1 0 0 0 24 21 2 0 0 0 3 6 1 0 0 0 18 14 1 0 0 0 24 16 1 0 0 0 M END > 8.15490195998574 > 5.80687540164554 $$$$ 11280715302D 1 1.00000 0.00000 0 29 31 0 1 0 999 V2000 3.3500 -5.8542 0.0000 S 0 0 3 0 0 0 0 0 0 3.3417 -6.6792 0.0000 N 0 0 3 0 0 0 0 0 0 2.5917 -7.0292 0.0000 C 0 0 1 0 0 0 0 0 0 1.9542 -6.5042 0.0000 C 0 0 0 0 0 0 0 0 0 2.4000 -7.8375 0.0000 C 0 0 3 0 0 0 0 0 0 3.3500 -5.0292 0.0000 C 0 0 0 0 0 0 0 0 0 2.5250 -5.8417 0.0000 O 0 0 0 0 0 0 0 0 0 4.1750 -5.8542 0.0000 O 0 0 0 0 0 0 0 0 0 2.9542 -8.5042 0.0000 S 0 0 0 0 0 0 0 0 0 1.9542 -5.6792 0.0000 O 0 0 0 0 0 0 0 0 0 1.2125 -6.8542 0.0000 N 0 0 0 0 0 0 0 0 0 4.0917 -7.0417 0.0000 C 0 0 0 0 0 0 0 0 0 4.0667 -4.6042 0.0000 C 0 0 0 0 0 0 0 0 0 2.6292 -4.6250 0.0000 C 0 0 0 0 0 0 0 0 0 3.3292 -2.5417 0.0000 O 0 0 0 0 0 0 0 0 0 3.3292 -3.3667 0.0000 C 0 0 0 0 0 0 0 0 0 4.0542 -3.7792 0.0000 C 0 0 0 0 0 0 0 0 0 2.6250 -3.8000 0.0000 C 0 0 0 0 0 0 0 0 0 4.0375 -2.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0.5292 -6.3917 0.0000 O 0 0 0 0 0 0 0 0 0 4.2625 -7.8542 0.0000 C 0 0 0 0 0 0 0 0 0 3.7417 -8.5042 0.0000 C 0 0 0 0 0 0 0 0 0 1.8167 -8.4167 0.0000 C 0 0 0 0 0 0 0 0 0 1.6000 -7.6167 0.0000 C 0 0 0 0 0 0 0 0 0 4.7625 -2.5375 0.0000 C 0 0 0 0 0 0 0 0 0 4.0292 -1.3042 0.0000 C 0 0 0 0 0 0 0 0 0 4.7375 -0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 5.4667 -2.1125 0.0000 C 0 0 0 0 0 0 0 0 0 5.4542 -1.2875 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 3 4 1 6 0 0 5 3 1 0 0 0 6 1 1 0 0 0 7 1 2 0 0 0 8 1 2 0 0 0 9 5 1 0 0 0 10 4 2 0 0 0 11 4 1 0 0 0 12 2 1 0 0 0 13 6 2 0 0 0 14 6 1 0 0 0 15 16 1 0 0 0 16 18 1 0 0 0 17 13 1 0 0 0 18 14 2 0 0 0 19 15 1 0 0 0 20 11 1 0 0 0 21 12 1 0 0 0 22 21 1 0 0 0 23 5 1 0 0 0 24 5 1 0 0 0 25 19 2 0 0 0 26 19 1 0 0 0 27 26 2 0 0 0 28 25 1 0 0 0 29 27 1 0 0 0 16 17 2 0 0 0 22 9 1 0 0 0 29 28 2 0 0 0 M END > 9.39794000867204 > 8.63827216398241 $$$$ 11280715442D 1 1.00000 0.00000 0 27 29 0 1 0 999 V2000 -0.4000 0.8708 0.0000 S 0 0 3 0 0 0 0 0 0 -0.3958 1.6958 0.0000 C 0 0 1 0 0 0 0 0 0 0.3250 2.1000 0.0000 C 0 0 2 0 0 0 0 0 0 1.0375 1.6833 0.0000 C 0 0 0 0 0 0 0 0 0 -0.4000 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 -1.2250 0.8750 0.0000 O 0 0 0 0 0 0 0 0 0 0.4250 0.8708 0.0000 O 0 0 0 0 0 0 0 0 0 -0.3958 -2.4292 0.0000 C 0 0 0 0 0 0 0 0 0 -0.4000 -1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 1.0250 0.8625 0.0000 O 0 0 0 0 0 0 0 0 0 1.7500 2.0833 0.0000 N 0 0 0 0 0 0 0 0 0 0.9042 2.6875 0.0000 O 0 0 0 0 0 0 0 0 0 -1.1083 2.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0.3167 -2.8375 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1125 -0.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0.3167 -0.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0.3292 2.9208 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3750 3.3458 0.0000 O 0 0 0 0 0 0 0 0 0 -1.1125 -1.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0.3125 -1.2042 0.0000 C 0 0 0 0 0 0 0 0 0 2.4625 1.6708 0.0000 O 0 0 0 0 0 0 0 0 0 -1.1000 2.9375 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1125 -2.8375 0.0000 C 0 0 0 0 0 0 0 0 0 1.0292 -2.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0.3167 -3.6667 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1125 -3.6667 0.0000 C 0 0 0 0 0 0 0 0 0 -0.4000 -4.0792 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 6 0 0 3 2 1 0 0 0 3 4 1 6 0 0 5 1 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 9 1 0 0 0 9 20 2 0 0 0 10 4 2 0 0 0 11 4 1 0 0 0 3 12 1 1 0 0 13 2 1 0 0 0 14 8 1 0 0 0 15 5 1 0 0 0 16 5 2 0 0 0 17 3 1 0 0 0 18 22 1 0 0 0 19 15 2 0 0 0 20 16 1 0 0 0 21 11 1 0 0 0 22 13 1 0 0 0 23 8 2 0 0 0 24 14 1 0 0 0 25 14 2 0 0 0 26 23 1 0 0 0 27 26 2 0 0 0 19 9 1 0 0 0 17 18 1 0 0 0 25 27 1 0 0 0 M END > 6.85387196432176 > 5 $$$$ 11280714562D 1 1.00000 0.00000 0 25 26 0 1 0 999 V2000 2.7125 -1.1250 0.0000 S 0 0 3 0 0 0 0 0 0 3.3125 -1.1250 0.0000 N 0 0 0 0 0 0 0 0 0 3.6042 -0.6042 0.0000 C 0 0 2 0 0 0 0 0 0 4.2042 -0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 2.1125 -1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 2.7042 -0.5250 0.0000 O 0 0 0 0 0 0 0 0 0 2.7042 -1.7250 0.0000 O 0 0 0 0 0 0 0 0 0 3.3042 -0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0.9167 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0.3167 -1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 4.5125 -1.1167 0.0000 O 0 0 0 0 0 0 0 0 0 1.8167 -1.6625 0.0000 C 0 0 0 0 0 0 0 0 0 1.8000 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 1.2167 -1.6667 0.0000 C 0 0 0 0 0 0 0 0 0 1.2042 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0.0250 -1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0.0042 -0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 4.5042 -0.0792 0.0000 O 0 0 0 0 0 0 0 0 0 -0.8833 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5958 -0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5750 -1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 -1.4833 -1.1792 0.0000 Br 0 0 0 0 0 0 0 0 0 3.6042 0.4375 0.0000 C 0 0 3 0 0 0 0 0 0 3.3042 0.9583 0.0000 C 0 0 0 0 0 0 0 0 0 4.2042 0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 1 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 3 8 1 1 0 0 9 15 1 0 0 0 10 9 1 0 0 0 11 4 2 0 0 0 12 5 2 0 0 0 13 5 1 0 0 0 14 12 1 0 0 0 15 13 2 0 0 0 16 10 2 0 0 0 17 10 1 0 0 0 18 4 1 0 0 0 19 20 1 0 0 0 20 17 2 0 0 0 21 16 1 0 0 0 22 19 1 0 0 0 23 8 1 0 0 0 24 23 1 0 0 0 25 23 1 0 0 0 14 9 2 0 0 0 21 19 2 0 0 0 M END > 8.30102999566398 > 5.15490195998574 $$$$ 11280715312D 1 1.00000 0.00000 0 28 30 0 1 0 999 V2000 2.0417 -1.3250 0.0000 N 0 0 3 0 0 0 0 0 0 2.0417 -0.7250 0.0000 S 0 0 3 0 0 0 0 0 0 2.7000 -2.7292 0.0000 N 0 0 3 0 0 0 0 0 0 3.3042 -2.7292 0.0000 C 0 0 0 0 0 0 0 0 0 1.5625 -1.6750 0.0000 C 0 0 2 0 0 0 0 0 0 2.5167 -3.3042 0.0000 C 0 0 0 0 0 0 0 0 0 2.3417 -2.2500 0.0000 C 0 0 2 0 0 0 0 0 0 3.4875 -3.3042 0.0000 N 0 0 3 0 0 0 0 0 0 2.5292 -1.6750 0.0000 C 0 0 0 0 0 0 0 0 0 1.7417 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0.9917 -1.4917 0.0000 C 0 0 0 0 0 0 0 0 0 3.0042 -3.6542 0.0000 C 0 0 0 0 0 0 0 0 0 2.5667 -0.4250 0.0000 C 0 0 0 0 0 0 0 0 0 2.0375 -0.1250 0.0000 O 0 0 0 0 0 0 0 0 0 1.4625 -0.5667 0.0000 O 0 0 0 0 0 0 0 0 0 3.6542 -2.2417 0.0000 O 0 0 0 0 0 0 0 0 0 2.0542 -3.4917 0.0000 O 0 0 0 0 0 0 0 0 0 0.8667 -0.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0.5417 -1.8917 0.0000 N 0 0 0 0 0 0 0 0 0 2.5667 0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 3.0875 -0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 4.0542 -3.4875 0.0000 C 0 0 0 0 0 0 0 0 0 3.6042 0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 3.0792 0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 3.6042 -0.4250 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0250 -1.7042 0.0000 O 0 0 0 0 0 0 0 0 0 4.1250 0.4750 0.0000 O 0 0 0 0 0 0 0 0 0 4.6417 0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 7 3 1 1 0 0 4 3 1 0 0 0 5 1 1 0 0 0 6 3 1 0 0 0 7 9 1 0 0 0 8 4 1 0 0 0 9 1 1 0 0 0 5 10 1 6 0 0 11 5 1 0 0 0 12 6 1 0 0 0 13 2 1 0 0 0 14 2 2 0 0 0 15 2 2 0 0 0 16 4 2 0 0 0 17 6 2 0 0 0 18 11 2 0 0 0 19 11 1 0 0 0 20 13 1 0 0 0 21 13 2 0 0 0 22 8 1 0 0 0 23 25 2 0 0 0 24 20 2 0 0 0 25 21 1 0 0 0 26 19 1 0 0 0 27 23 1 0 0 0 28 27 1 0 0 0 7 10 1 0 0 0 23 24 1 0 0 0 8 12 1 0 0 0 M END > 9.30102999566398 > 6.69897000433602 $$$$ 11280715332D 1 1.00000 0.00000 0 28 30 0 1 0 999 V2000 5.4500 -3.5000 0.0000 S 0 0 3 0 0 0 0 0 0 5.7375 -4.2792 0.0000 N 0 0 3 0 0 0 0 0 0 5.2042 -4.9125 0.0000 C 0 0 1 0 0 0 0 0 0 4.3792 -4.8667 0.0000 C 0 0 0 0 0 0 0 0 0 6.5000 -4.5875 0.0000 C 0 0 0 0 0 0 0 0 0 5.6417 -5.6042 0.0000 C 0 0 0 0 0 0 0 0 0 6.2292 -3.2125 0.0000 C 0 0 0 0 0 0 0 0 0 5.1625 -2.7167 0.0000 O 0 0 0 0 0 0 0 0 0 4.6667 -3.7875 0.0000 O 0 0 0 0 0 0 0 0 0 6.4417 -5.4125 0.0000 C 0 0 3 0 0 0 0 0 0 4.0042 -4.1292 0.0000 O 0 0 0 0 0 0 0 0 0 3.9292 -5.5625 0.0000 N 0 0 0 0 0 0 0 0 0 6.8542 -3.7375 0.0000 C 0 0 0 0 0 0 0 0 0 6.3667 -2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 8.5542 -2.3625 0.0000 O 0 0 0 0 0 0 0 0 0 7.0667 -5.9500 0.0000 N 0 0 0 0 0 0 0 0 0 7.7750 -2.6417 0.0000 C 0 0 0 0 0 0 0 0 0 7.1417 -2.1167 0.0000 C 0 0 0 0 0 0 0 0 0 7.6292 -3.4542 0.0000 C 0 0 0 0 0 0 0 0 0 9.1917 -2.8917 0.0000 C 0 0 0 0 0 0 0 0 0 3.1042 -5.5167 0.0000 O 0 0 0 0 0 0 0 0 0 7.8417 -5.6750 0.0000 O 0 0 0 0 0 0 0 0 0 9.0417 -3.7042 0.0000 C 0 0 0 0 0 0 0 0 0 9.9667 -2.6167 0.0000 C 0 0 0 0 0 0 0 0 0 8.4667 -6.2042 0.0000 C 0 0 0 0 0 0 0 0 0 10.5917 -3.1500 0.0000 C 0 0 0 0 0 0 0 0 0 9.6750 -4.2292 0.0000 C 0 0 0 0 0 0 0 0 0 10.4500 -3.9542 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 2 1 0 0 0 3 6 1 6 0 0 7 1 1 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 5 1 0 0 0 11 4 2 0 0 0 12 4 1 0 0 0 13 7 2 0 0 0 14 7 1 0 0 0 15 17 1 0 0 0 10 16 1 0 0 0 17 18 1 0 0 0 18 14 2 0 0 0 19 13 1 0 0 0 20 15 1 0 0 0 21 12 1 0 0 0 22 16 1 0 0 0 23 20 2 0 0 0 24 20 1 0 0 0 25 22 1 0 0 0 26 24 2 0 0 0 27 23 1 0 0 0 28 26 1 0 0 0 17 19 2 0 0 0 10 6 1 0 0 0 28 27 2 0 0 0 M END > 9.39794000867204 > 7.06550154875643 $$$$ 11280715152D 1 1.00000 0.00000 0 31 34 0 0 0 999 V2000 6.6750 -5.4042 0.0000 S 0 0 3 0 0 0 0 0 0 6.3792 -6.1917 0.0000 N 0 0 3 0 0 0 0 0 0 5.3417 -7.7167 0.0000 N 0 0 3 0 0 0 0 0 0 5.5667 -6.2542 0.0000 C 0 0 3 0 0 0 0 0 0 4.7292 -8.2750 0.0000 C 0 0 0 0 0 0 0 0 0 5.1042 -6.9292 0.0000 C 0 0 0 0 0 0 0 0 0 6.9500 -6.7917 0.0000 C 0 0 0 0 0 0 0 0 0 6.1167 -8.0250 0.0000 C 0 0 0 0 0 0 0 0 0 5.1542 -5.5292 0.0000 C 0 0 0 0 0 0 0 0 0 6.8292 -7.6125 0.0000 C 0 0 0 0 0 0 0 0 0 4.9042 -9.0792 0.0000 C 0 0 3 0 0 0 0 0 0 6.9625 -4.6292 0.0000 C 0 0 0 0 0 0 0 0 0 5.0792 -9.8792 0.0000 C 0 0 0 0 0 0 0 0 0 5.6917 -9.3292 0.0000 C 0 0 0 0 0 0 0 0 0 6.1042 -4.7125 0.0000 O 0 0 0 0 0 0 0 0 0 7.4167 -5.3667 0.0000 O 0 0 0 0 0 0 0 0 0 3.9500 -8.0167 0.0000 O 0 0 0 0 0 0 0 0 0 5.5792 -4.8125 0.0000 O 0 0 0 0 0 0 0 0 0 4.3292 -5.5250 0.0000 N 0 0 0 0 0 0 0 0 0 6.4375 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 7.7750 -4.4875 0.0000 C 0 0 0 0 0 0 0 0 0 7.5292 -3.0792 0.0000 C 0 0 0 0 0 0 0 0 0 8.0542 -3.7167 0.0000 C 0 0 0 0 0 0 0 0 0 6.7167 -3.2292 0.0000 C 0 0 0 0 0 0 0 0 0 3.9167 -4.8125 0.0000 O 0 0 0 0 0 0 0 0 0 7.5417 -8.0250 0.0000 C 0 0 0 0 0 0 0 0 0 6.1167 -8.8542 0.0000 C 0 0 0 0 0 0 0 0 0 7.8125 -2.3000 0.0000 O 0 0 0 0 0 0 0 0 0 7.2792 -1.6667 0.0000 C 0 0 0 0 0 0 0 0 0 7.5417 -8.8542 0.0000 C 0 0 0 0 0 0 0 0 0 6.8292 -9.2667 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 6 1 0 0 0 4 2 1 0 0 0 5 3 1 0 0 0 6 4 1 0 0 0 7 2 1 0 0 0 8 10 1 0 0 0 9 4 1 0 0 0 10 7 1 0 0 0 11 5 1 0 0 0 12 1 1 0 0 0 13 11 1 0 0 0 14 11 1 0 0 0 15 1 2 0 0 0 16 1 2 0 0 0 17 5 2 0 0 0 18 9 2 0 0 0 19 9 1 0 0 0 20 12 1 0 0 0 21 12 2 0 0 0 22 23 2 0 0 0 23 21 1 0 0 0 24 20 2 0 0 0 25 19 1 0 0 0 26 10 2 0 0 0 27 8 2 0 0 0 28 22 1 0 0 0 29 28 1 0 0 0 30 26 1 0 0 0 31 30 2 0 0 0 22 24 1 0 0 0 3 8 1 0 0 0 31 27 1 0 0 0 14 13 1 0 0 0 M END > 8.52287874528034 > 6.76700388960785 $$$$ 11280715142D 1 1.00000 0.00000 0 31 32 0 1 0 999 V2000 2.6167 0.7333 0.0000 S 0 0 3 0 0 0 0 0 0 1.8917 0.3083 0.0000 N 0 0 0 0 0 0 0 0 0 1.9042 -0.5250 0.0000 C 0 0 1 0 0 0 0 0 0 1.2000 -0.9417 0.0000 C 0 0 0 0 0 0 0 0 0 3.3375 1.1583 0.0000 C 0 0 0 0 0 0 0 0 0 6.1917 3.6458 0.0000 C 0 0 0 0 0 0 0 0 0 6.9167 4.0625 0.0000 C 0 0 0 0 0 0 0 0 0 3.0417 0.0083 0.0000 O 0 0 0 0 0 0 0 0 0 2.1917 1.4500 0.0000 O 0 0 0 0 0 0 0 0 0 2.6292 -0.9292 0.0000 C 0 0 0 0 0 0 0 0 0 1.2042 -1.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0.4792 -0.5292 0.0000 N 0 0 0 0 0 0 0 0 0 4.0500 0.7458 0.0000 C 0 0 0 0 0 0 0 0 0 3.3375 1.9833 0.0000 C 0 0 0 0 0 0 0 0 0 2.6250 -1.7542 0.0000 C 0 0 0 0 0 0 0 0 0 3.3375 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 4.0542 -1.7542 0.0000 C 0 0 0 0 0 0 0 0 0 4.7667 1.9833 0.0000 C 0 0 0 0 0 0 0 0 0 3.3417 -2.1667 0.0000 C 0 0 0 0 0 0 0 0 0 4.7667 1.1583 0.0000 C 0 0 0 0 0 0 0 0 0 4.0542 -0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 4.0500 2.3958 0.0000 C 0 0 0 0 0 0 0 0 0 5.5000 -4.2250 0.0000 N 0 0 0 0 0 0 0 0 0 -0.2333 -0.9417 0.0000 O 0 0 0 0 0 0 0 0 0 5.4792 3.2333 0.0000 C 0 0 0 0 0 0 0 0 0 5.4875 2.4083 0.0000 O 0 0 0 0 0 0 0 0 0 4.7750 -2.1625 0.0000 O 0 0 0 0 0 0 0 0 0 7.6375 4.4792 0.0000 C 0 0 0 0 0 0 0 0 0 5.4917 -3.4000 0.0000 C 0 0 0 0 0 0 0 0 0 4.7875 -4.6375 0.0000 C 0 0 0 0 0 0 0 0 0 4.7792 -2.9875 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 1 1 0 0 0 6 25 1 0 0 0 7 6 3 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 3 10 1 6 0 0 11 4 2 0 0 0 12 4 1 0 0 0 13 5 1 0 0 0 14 5 2 0 0 0 15 10 2 0 0 0 16 10 1 0 0 0 17 21 1 0 0 0 18 22 2 0 0 0 19 15 1 0 0 0 20 13 2 0 0 0 21 16 2 0 0 0 22 14 1 0 0 0 23 29 1 0 0 0 24 12 1 0 0 0 25 26 1 0 0 0 26 18 1 0 0 0 27 17 1 0 0 0 28 7 1 0 0 0 29 31 1 0 0 0 30 23 1 0 0 0 31 27 1 0 0 0 18 20 1 0 0 0 17 19 2 0 0 0 M END > 6.83564714421556 > 5 $$$$ 11280715092D 1 1.00000 0.00000 0 36 38 0 0 0 999 V2000 6.0667 -2.4542 0.0000 S 0 0 3 0 0 0 0 0 0 5.4792 -2.3000 0.0000 N 0 0 3 0 0 0 0 0 0 4.9667 -2.6042 0.0000 C 0 0 3 0 0 0 0 0 0 4.9417 -4.4000 0.0000 N 0 0 3 0 0 0 0 0 0 4.9417 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 4.4417 -2.3042 0.0000 C 0 0 0 0 0 0 0 0 0 6.6417 -2.2917 0.0000 C 0 0 0 0 0 0 0 0 0 6.3167 -1.9292 0.0000 O 0 0 0 0 0 0 0 0 0 6.2167 -3.0292 0.0000 O 0 0 0 0 0 0 0 0 0 4.9542 -3.2042 0.0000 C 0 0 3 0 0 0 0 0 0 5.4667 -4.1042 0.0000 C 0 0 0 0 0 0 0 0 0 4.4292 -4.0917 0.0000 C 0 0 0 0 0 0 0 0 0 4.4167 -5.2917 0.0000 O 0 0 0 0 0 0 0 0 0 7.6792 -1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 8.1917 -1.3875 0.0000 C 0 0 0 0 0 0 0 0 0 4.4417 -1.7000 0.0000 O 0 0 0 0 0 0 0 0 0 6.6417 -1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 7.1542 -2.5917 0.0000 C 0 0 0 0 0 0 0 0 0 5.4667 -3.5042 0.0000 C 0 0 0 0 0 0 0 0 0 4.4292 -3.4917 0.0000 C 0 0 0 0 0 0 0 0 0 7.6792 -2.2917 0.0000 C 0 0 0 0 0 0 0 0 0 7.1542 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 8.7167 -1.6792 0.0000 C 0 0 0 0 0 0 0 0 0 8.1792 -0.7917 0.0000 C 0 0 0 0 0 0 0 0 0 5.4542 -5.3000 0.0000 O 0 0 0 0 0 0 0 0 0 3.9167 -2.6042 0.0000 O 0 0 0 0 0 0 0 0 0 5.4792 -1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 9.2167 -0.7750 0.0000 C 0 0 0 0 0 0 0 0 0 9.2292 -1.3750 0.0000 C 0 0 0 0 0 0 0 0 0 8.6917 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 9.7292 -0.4667 0.0000 O 0 0 0 0 0 0 0 0 0 7.0042 -4.9917 0.0000 O 0 0 0 0 0 0 0 0 0 5.9667 -4.9917 0.0000 C 0 0 0 0 0 0 0 0 0 6.4917 -5.2917 0.0000 C 0 0 0 0 0 0 0 0 0 10.3167 -0.6250 0.0000 C 0 0 0 0 0 0 0 0 0 7.5292 -5.2917 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 12 1 0 0 0 5 4 1 0 0 0 6 3 1 0 0 0 7 1 1 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 3 1 0 0 0 11 19 1 0 0 0 12 20 1 0 0 0 13 5 2 0 0 0 14 21 2 0 0 0 15 14 1 0 0 0 16 6 2 0 0 0 17 7 1 0 0 0 18 7 2 0 0 0 19 10 1 0 0 0 20 10 1 0 0 0 21 18 1 0 0 0 22 17 2 0 0 0 23 15 2 0 0 0 24 15 1 0 0 0 25 5 1 0 0 0 26 6 1 0 0 0 27 2 1 0 0 0 28 30 1 0 0 0 29 23 1 0 0 0 30 24 2 0 0 0 31 28 1 0 0 0 32 34 1 0 0 0 33 25 1 0 0 0 34 33 1 0 0 0 35 31 1 0 0 0 36 32 1 0 0 0 22 14 1 0 0 0 4 11 1 0 0 0 29 28 2 0 0 0 M END > 8.61978875828839 > 5.73282827159699 $$$$ 11280715092D 1 1.00000 0.00000 0 36 39 0 0 0 999 V2000 6.0542 -2.0750 0.0000 S 0 0 3 0 0 0 0 0 0 5.4792 -1.9167 0.0000 N 0 0 0 0 0 0 0 0 0 4.9292 -4.6167 0.0000 C 0 0 0 0 0 0 0 0 0 4.9542 -2.2250 0.0000 C 0 0 3 0 0 0 0 0 0 4.9417 -4.0167 0.0000 N 0 0 3 0 0 0 0 0 0 5.4542 -4.9167 0.0000 N 0 0 3 0 0 0 0 0 0 4.4292 -1.9250 0.0000 C 0 0 0 0 0 0 0 0 0 6.6292 -1.9125 0.0000 C 0 0 0 0 0 0 0 0 0 6.2042 -2.6500 0.0000 O 0 0 0 0 0 0 0 0 0 6.3042 -1.5500 0.0000 O 0 0 0 0 0 0 0 0 0 4.9542 -2.8250 0.0000 C 0 0 3 0 0 0 0 0 0 4.4042 -4.9125 0.0000 O 0 0 0 0 0 0 0 0 0 5.4542 -3.7250 0.0000 C 0 0 0 0 0 0 0 0 0 4.4167 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 7.6667 -1.3125 0.0000 C 0 0 0 0 0 0 0 0 0 8.1917 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 4.4292 -1.3167 0.0000 O 0 0 0 0 0 0 0 0 0 7.1542 -2.2125 0.0000 C 0 0 0 0 0 0 0 0 0 6.6292 -1.3125 0.0000 C 0 0 0 0 0 0 0 0 0 5.4667 -3.1250 0.0000 C 0 0 0 0 0 0 0 0 0 4.4292 -3.1125 0.0000 C 0 0 0 0 0 0 0 0 0 7.1417 -1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 7.6667 -1.9125 0.0000 C 0 0 0 0 0 0 0 0 0 6.4792 -5.5167 0.0000 O 0 0 0 0 0 0 0 0 0 8.7167 -1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 8.1792 -0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 3.9167 -2.2250 0.0000 O 0 0 0 0 0 0 0 0 0 9.2167 -0.3875 0.0000 C 0 0 0 0 0 0 0 0 0 8.6917 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 9.2292 -0.9875 0.0000 C 0 0 0 0 0 0 0 0 0 5.9667 -4.6250 0.0000 C 0 0 0 0 0 0 0 0 0 5.4542 -5.5125 0.0000 C 0 0 0 0 0 0 0 0 0 9.7417 -0.0792 0.0000 O 0 0 0 0 0 0 0 0 0 6.4792 -4.9167 0.0000 C 0 0 0 0 0 0 0 0 0 5.9667 -5.8167 0.0000 C 0 0 0 0 0 0 0 0 0 10.3167 -0.2375 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 5 1 0 0 0 4 2 1 0 0 0 5 14 1 0 0 0 6 3 1 0 0 0 7 4 1 0 0 0 8 1 1 0 0 0 9 1 2 0 0 0 10 1 2 0 0 0 11 4 1 0 0 0 12 3 2 0 0 0 13 20 1 0 0 0 14 21 1 0 0 0 15 22 1 0 0 0 16 15 1 0 0 0 17 7 2 0 0 0 18 8 2 0 0 0 19 8 1 0 0 0 20 11 1 0 0 0 21 11 1 0 0 0 22 19 2 0 0 0 23 18 1 0 0 0 24 35 1 0 0 0 25 16 2 0 0 0 26 16 1 0 0 0 27 7 1 0 0 0 28 29 1 0 0 0 29 26 2 0 0 0 30 25 1 0 0 0 31 6 1 0 0 0 32 6 1 0 0 0 33 28 1 0 0 0 34 31 1 0 0 0 35 32 1 0 0 0 36 33 1 0 0 0 23 15 2 0 0 0 13 5 1 0 0 0 30 28 2 0 0 0 24 34 1 0 0 0 M END > 8.74472749489669 > 5.75448733218585 $$$$ 11280715002D 1 1.00000 0.00000 0 26 27 0 0 0 999 V2000 7.2667 -4.7625 0.0000 N 0 3 0 0 0 0 0 0 0 5.7042 -6.8750 0.0000 C 0 0 0 0 0 0 0 0 0 5.1792 -6.5667 0.0000 N 0 0 3 0 0 0 0 0 0 5.7042 -7.4792 0.0000 N 0 0 0 0 0 0 0 0 0 4.1292 -6.5667 0.0000 C 0 0 0 0 0 0 0 0 0 6.7500 -5.0667 0.0000 C 0 0 0 0 0 0 0 0 0 4.6542 -6.8750 0.0000 C 0 0 0 0 0 0 0 0 0 7.7917 -5.0667 0.0000 O 0 5 0 0 0 0 0 0 0 7.2667 -4.1542 0.0000 O 0 0 0 0 0 0 0 0 0 6.2292 -6.5667 0.0000 O 0 0 0 0 0 0 0 0 0 5.1792 -5.9667 0.0000 C 0 0 0 0 0 0 0 0 0 3.6125 -6.8750 0.0000 O 0 0 0 0 0 0 0 0 0 4.1292 -5.9667 0.0000 N 0 0 0 0 0 0 0 0 0 6.7500 -5.6667 0.0000 C 0 0 0 0 0 0 0 0 0 6.2167 -4.7625 0.0000 C 0 0 0 0 0 0 0 0 0 6.2292 -7.7792 0.0000 C 0 0 0 0 0 0 0 0 0 5.7042 -5.6667 0.0000 C 0 0 0 0 0 0 0 0 0 7.2667 -8.3875 0.0000 C 0 0 0 0 0 0 0 0 0 6.2292 -5.9667 0.0000 C 0 0 0 0 0 0 0 0 0 5.7042 -5.0667 0.0000 C 0 0 0 0 0 0 0 0 0 7.7917 -8.6875 0.0000 Cl 0 0 0 0 0 0 0 0 0 6.7417 -7.4792 0.0000 C 0 0 0 0 0 0 0 0 0 6.2167 -8.3875 0.0000 C 0 0 0 0 0 0 0 0 0 3.6125 -5.6667 0.0000 O 0 0 0 0 0 0 0 0 0 6.7500 -8.6917 0.0000 C 0 0 0 0 0 0 0 0 0 7.2625 -7.7792 0.0000 C 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 3 11 1 0 0 0 4 2 1 0 0 0 5 7 1 0 0 0 6 1 1 0 0 0 7 3 1 0 0 0 8 1 1 0 0 0 9 1 2 0 0 0 10 2 2 0 0 0 11 17 1 0 0 0 12 5 2 0 0 0 13 5 1 0 0 0 14 6 2 0 0 0 15 6 1 0 0 0 16 4 1 0 0 0 17 20 1 0 0 0 18 25 2 0 0 0 19 14 1 0 0 0 20 15 2 0 0 0 21 18 1 0 0 0 22 16 1 0 0 0 23 16 2 0 0 0 24 13 1 0 0 0 25 23 1 0 0 0 26 22 2 0 0 0 17 19 2 0 0 0 26 18 1 0 0 0 M CHG 2 1 1 8 -1 M END > 7.82390874094432 > 7.82390874094432 $$$$ 11280715442D 1 1.00000 0.00000 0 37 40 0 0 0 999 V2000 0.2167 0.6083 0.0000 S 0 0 3 0 0 0 0 0 0 0.1917 -0.1750 0.0000 N 0 0 3 0 0 0 0 0 0 0.0500 -1.9000 0.0000 N 0 0 3 0 0 0 0 0 0 -0.4583 -0.6000 0.0000 C 0 0 3 0 0 0 0 0 0 -0.1833 -2.6375 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5125 -1.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0.9292 -0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0.8167 -1.7917 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1208 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 1.2042 -1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 -0.9458 -2.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0.2375 1.3833 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5625 0.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0.9875 0.5833 0.0000 O 0 0 0 0 0 0 0 0 0 1.0167 4.8417 0.0000 C 0 0 0 0 0 0 0 0 0 1.0417 5.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0.3417 -3.2125 0.0000 O 0 0 0 0 0 0 0 0 0 -1.1125 0.5708 0.0000 O 0 0 0 0 0 0 0 0 0 -1.7958 -0.5875 0.0000 N 0 0 0 0 0 0 0 0 0 -2.2250 -2.4042 0.0000 N 0 0 0 0 0 0 0 0 0 -0.4208 1.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0.9292 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 -1.4625 -2.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0.2792 2.9333 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3958 2.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0.9542 2.5250 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4625 -0.1917 0.0000 O 0 0 0 0 0 0 0 0 0 1.9792 -1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 1.0000 4.0667 0.0000 C 0 0 0 0 0 0 0 0 0 1.2000 -2.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0.3167 3.7083 0.0000 O 0 0 0 0 0 0 0 0 0 -1.1708 -3.5542 0.0000 C 0 0 0 0 0 0 0 0 0 1.0667 6.4000 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4500 -3.1500 0.0000 C 0 0 0 0 0 0 0 0 0 -1.9208 -3.7250 0.0000 C 0 0 0 0 0 0 0 0 0 2.3542 -1.7917 0.0000 C 0 0 0 0 0 0 0 0 0 1.9667 -2.4625 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 6 1 0 0 0 4 2 1 0 0 0 5 3 1 0 0 0 6 4 1 0 0 0 7 2 1 0 0 0 8 10 2 0 0 0 9 4 1 0 0 0 10 7 1 0 0 0 11 5 1 0 0 0 12 1 1 0 0 0 13 1 2 0 0 0 14 1 2 0 0 0 15 29 1 0 0 0 16 15 3 0 0 0 17 5 2 0 0 0 18 9 2 0 0 0 19 9 1 0 0 0 20 23 1 0 0 0 21 12 1 0 0 0 22 12 2 0 0 0 23 11 2 0 0 0 24 26 2 0 0 0 25 21 2 0 0 0 26 22 1 0 0 0 27 19 1 0 0 0 28 10 1 0 0 0 29 31 1 0 0 0 30 8 1 0 0 0 31 24 1 0 0 0 32 11 1 0 0 0 33 16 1 0 0 0 34 35 1 0 0 0 35 32 2 0 0 0 36 28 2 0 0 0 37 36 1 0 0 0 25 24 1 0 0 0 3 8 1 0 0 0 30 37 2 0 0 0 20 34 2 0 0 0 M END > 7.72124639904717 > 6.62342304294349 $$$$ 11280715212D 1 1.00000 0.00000 0 29 31 0 0 0 999 V2000 -1.5625 1.5625 0.0000 S 0 0 3 0 0 0 0 0 0 -2.9958 1.5750 0.0000 C 0 0 3 0 0 0 0 0 0 -2.2833 1.9875 0.0000 N 0 0 0 0 0 0 0 0 0 -3.7125 1.9875 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8458 1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1375 2.2833 0.0000 O 0 0 0 0 0 0 0 0 0 -1.9875 0.8458 0.0000 O 0 0 0 0 0 0 0 0 0 -3.7125 2.8208 0.0000 O 0 0 0 0 0 0 0 0 0 -4.4250 1.5750 0.0000 N 0 0 0 0 0 0 0 0 0 -3.7208 1.1583 0.0000 C 0 0 0 0 0 0 0 0 0 -2.2833 1.1583 0.0000 C 0 0 0 0 0 0 0 0 0 -3.0000 -0.0875 0.0000 O 0 0 0 0 0 0 0 0 0 -0.1333 1.5500 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8458 0.3083 0.0000 C 0 0 0 0 0 0 0 0 0 1.3042 -0.1042 0.0000 O 0 0 0 0 0 0 0 0 0 0.5875 0.3083 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8583 -2.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0.5792 -1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 1.3000 -0.9292 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1333 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0.5875 1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5750 -2.5667 0.0000 F 0 0 0 0 0 0 0 0 0 -4.4250 0.7458 0.0000 O 0 0 0 0 0 0 0 0 0 -0.1375 -2.5792 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8583 -1.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0.5792 -2.1667 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1333 -0.9167 0.0000 C 0 0 0 0 0 0 0 0 0 -3.7208 0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 -2.2833 0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 3 1 1 0 0 0 4 2 1 0 0 0 5 1 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 4 2 0 0 0 9 4 1 0 0 0 10 2 1 0 0 0 11 2 1 0 0 0 12 29 1 0 0 0 13 5 1 0 0 0 14 5 2 0 0 0 15 16 1 0 0 0 16 20 2 0 0 0 17 25 2 0 0 0 18 19 1 0 0 0 19 15 1 0 0 0 20 14 1 0 0 0 21 13 2 0 0 0 22 17 1 0 0 0 23 9 1 0 0 0 24 26 2 0 0 0 25 27 1 0 0 0 26 18 1 0 0 0 27 18 2 0 0 0 28 10 1 0 0 0 29 11 1 0 0 0 16 21 1 0 0 0 12 28 1 0 0 0 17 24 1 0 0 0 M END > 7.95860731484177 > 5.18708664335715 $$$$ 11280715062D 1 1.00000 0.00000 0 22 21 0 1 0 999 V2000 3.6542 -1.0042 0.0000 N 0 0 0 0 0 0 0 0 0 2.9417 -1.4167 0.0000 C 0 0 0 0 0 0 0 0 0 4.3667 -1.4167 0.0000 C 0 0 1 0 0 0 0 0 0 5.0875 -1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 2.2292 -1.0042 0.0000 C 0 0 1 0 0 0 0 0 0 0.8000 -1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 4.3667 -2.2417 0.0000 C 0 0 3 0 0 0 0 0 0 1.5167 -1.4167 0.0000 C 0 0 0 0 0 0 0 0 0 2.9417 -2.2417 0.0000 O 0 0 0 0 0 0 0 0 0 5.8000 -1.4167 0.0000 O 0 0 0 0 0 0 0 0 0 2.2292 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0.8000 -0.1792 0.0000 O 0 0 0 0 0 0 0 0 0 5.0875 -0.1792 0.0000 N 0 0 0 0 0 0 0 0 0 0.0875 -1.4167 0.0000 N 0 0 0 0 0 0 0 0 0 0.0875 -2.2417 0.0000 O 0 0 0 0 0 0 0 0 0 2.9417 0.2333 0.0000 C 0 0 3 0 0 0 0 0 0 3.6167 -2.6042 0.0000 C 0 0 0 0 0 0 0 0 0 5.2250 -2.3167 0.0000 C 0 0 0 0 0 0 0 0 0 4.2792 -3.0125 0.0000 C 0 0 0 0 0 0 0 0 0 5.8000 0.2333 0.0000 C 0 0 0 0 0 0 0 0 0 2.7250 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 3.6542 0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 3 1 0 0 0 5 2 1 0 0 0 6 8 1 0 0 0 3 7 1 1 0 0 8 5 1 0 0 0 9 2 2 0 0 0 10 4 2 0 0 0 5 11 1 1 0 0 12 6 2 0 0 0 13 4 1 0 0 0 14 6 1 0 0 0 15 14 1 0 0 0 16 11 1 0 0 0 17 7 1 0 0 0 18 7 1 0 0 0 19 7 1 0 0 0 20 13 1 0 0 0 21 16 1 0 0 0 22 16 1 0 0 0 M END > 8.30980391997149 > 8.30980391997149 $$$$ 11280715072D 1 1.00000 0.00000 0 34 35 0 0 0 999 V2000 3.5292 -2.6125 0.0000 S 0 0 3 0 0 0 0 0 0 4.3500 -2.5792 0.0000 C 0 0 3 0 0 0 0 0 0 4.7375 -1.8500 0.0000 C 0 0 0 0 0 0 0 0 0 2.7042 -2.6417 0.0000 C 0 0 0 0 0 0 0 0 0 4.3417 -3.4042 0.0000 C 0 0 0 0 0 0 0 0 0 3.5625 -3.4417 0.0000 O 0 0 0 0 0 0 0 0 0 3.4917 -1.7917 0.0000 O 0 0 0 0 0 0 0 0 0 6.8292 -7.9167 0.0000 N 0 0 3 0 0 0 0 0 0 4.2917 -1.1542 0.0000 O 0 0 0 0 0 0 0 0 0 5.5667 -1.8167 0.0000 N 0 0 0 0 0 0 0 0 0 2.2542 -1.9417 0.0000 C 0 0 0 0 0 0 0 0 0 2.3167 -3.3750 0.0000 C 0 0 0 0 0 0 0 0 0 5.1667 -2.5792 0.0000 C 0 0 0 0 0 0 0 0 0 7.4167 -8.5000 0.0000 C 0 0 3 0 0 0 0 0 0 6.0375 -8.1292 0.0000 C 0 0 3 0 0 0 0 0 0 4.9292 -3.9917 0.0000 C 0 0 0 0 0 0 0 0 0 1.0542 -2.7125 0.0000 C 0 0 0 0 0 0 0 0 0 6.0917 -5.1542 0.0000 C 0 0 0 0 0 0 0 0 0 1.4917 -3.4042 0.0000 C 0 0 0 0 0 0 0 0 0 1.4292 -1.9792 0.0000 C 0 0 0 0 0 0 0 0 0 5.9500 -1.0875 0.0000 O 0 0 0 0 0 0 0 0 0 5.7167 -3.7750 0.0000 C 0 0 0 0 0 0 0 0 0 4.7125 -4.7875 0.0000 C 0 0 0 0 0 0 0 0 0 5.2917 -5.3667 0.0000 C 0 0 0 0 0 0 0 0 0 6.3042 -4.3542 0.0000 C 0 0 0 0 0 0 0 0 0 6.6750 -5.7375 0.0000 O 0 0 0 0 0 0 0 0 0 7.0417 -7.1167 0.0000 C 0 0 0 0 0 0 0 0 0 6.4625 -6.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0.2250 -2.7417 0.0000 O 0 0 0 0 0 0 0 0 0 7.2042 -9.2917 0.0000 C 0 0 0 0 0 0 0 0 0 8.2167 -8.2792 0.0000 C 0 0 0 0 0 0 0 0 0 5.4542 -7.5500 0.0000 C 0 0 0 0 0 0 0 0 0 5.8250 -8.9292 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2125 -2.0500 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 1 1 0 0 0 5 2 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 27 1 0 0 0 9 3 2 0 0 0 10 3 1 0 0 0 11 4 2 0 0 0 12 4 1 0 0 0 13 2 1 0 0 0 14 8 1 0 0 0 15 8 1 0 0 0 16 5 1 0 0 0 17 19 1 0 0 0 18 24 2 0 0 0 19 12 2 0 0 0 20 11 1 0 0 0 21 10 1 0 0 0 22 16 1 0 0 0 23 16 2 0 0 0 24 23 1 0 0 0 25 22 2 0 0 0 26 18 1 0 0 0 27 28 1 0 0 0 28 26 1 0 0 0 29 17 1 0 0 0 30 14 1 0 0 0 31 14 1 0 0 0 32 15 1 0 0 0 33 15 1 0 0 0 34 29 1 0 0 0 17 20 2 0 0 0 25 18 1 0 0 0 M END > 7.72124639904717 > 6.37365963262496 $$$$ 11280715092D 1 1.00000 0.00000 0 32 34 0 0 0 999 V2000 4.0000 0.2750 0.0000 S 0 0 3 0 0 0 0 0 0 3.4167 0.4250 0.0000 N 0 0 0 0 0 0 0 0 0 2.9000 0.1250 0.0000 C 0 0 3 0 0 0 0 0 0 2.8792 -1.6750 0.0000 N 0 0 3 0 0 0 0 0 0 2.8750 -2.2750 0.0000 C 0 0 0 0 0 0 0 0 0 2.3750 0.4250 0.0000 C 0 0 0 0 0 0 0 0 0 4.5750 0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 4.2500 0.7958 0.0000 O 0 0 0 0 0 0 0 0 0 4.1500 -0.3000 0.0000 O 0 0 0 0 0 0 0 0 0 2.8917 -0.4750 0.0000 C 0 0 3 0 0 0 0 0 0 3.4000 -1.3750 0.0000 C 0 0 0 0 0 0 0 0 0 2.3625 -1.3667 0.0000 C 0 0 0 0 0 0 0 0 0 2.3542 -2.5667 0.0000 O 0 0 0 0 0 0 0 0 0 5.6125 1.0375 0.0000 C 0 0 0 0 0 0 0 0 0 6.1292 1.3458 0.0000 C 0 0 0 0 0 0 0 0 0 2.3750 1.0250 0.0000 O 0 0 0 0 0 0 0 0 0 4.5750 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 5.0917 0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 2.3667 -0.7667 0.0000 C 0 0 0 0 0 0 0 0 0 3.4125 -0.7750 0.0000 C 0 0 0 0 0 0 0 0 0 5.6125 0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 5.0875 1.3375 0.0000 C 0 0 0 0 0 0 0 0 0 6.6542 1.0500 0.0000 C 0 0 0 0 0 0 0 0 0 6.1167 1.9458 0.0000 C 0 0 0 0 0 0 0 0 0 3.3917 -2.5750 0.0000 O 0 0 0 0 0 0 0 0 0 1.8500 0.1208 0.0000 O 0 0 0 0 0 0 0 0 0 7.1625 1.9625 0.0000 C 0 0 0 0 0 0 0 0 0 7.1750 1.3583 0.0000 C 0 0 0 0 0 0 0 0 0 6.6375 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 7.6875 2.2708 0.0000 O 0 0 0 0 0 0 0 0 0 3.3875 -3.1750 0.0000 C 0 0 0 0 0 0 0 0 0 8.2625 2.1125 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 11 1 0 0 0 5 4 1 0 0 0 6 3 1 0 0 0 7 1 1 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 3 1 0 0 0 11 20 1 0 0 0 12 19 1 0 0 0 13 5 2 0 0 0 14 21 2 0 0 0 15 14 1 0 0 0 16 6 2 0 0 0 17 7 1 0 0 0 18 7 2 0 0 0 19 10 1 0 0 0 20 10 1 0 0 0 21 18 1 0 0 0 22 17 2 0 0 0 23 15 2 0 0 0 24 15 1 0 0 0 25 5 1 0 0 0 26 6 1 0 0 0 27 29 1 0 0 0 28 23 1 0 0 0 29 24 2 0 0 0 30 27 1 0 0 0 31 25 1 0 0 0 32 30 1 0 0 0 22 14 1 0 0 0 12 4 1 0 0 0 28 27 2 0 0 0 M END > 7.53017798402184 > 5.28316227670048 $$$$ 11280714592D 1 1.00000 0.00000 0 44 44 0 0 0 999 V2000 6.0375 -5.9667 0.0000 C 0 0 3 0 0 0 0 0 0 5.5250 -5.6667 0.0000 S 0 0 3 0 0 0 0 0 0 6.0375 -6.5750 0.0000 C 0 0 3 0 0 0 0 0 0 6.5625 -6.8750 0.0000 C 0 0 3 0 0 0 0 0 0 6.5625 -7.4792 0.0000 C 0 0 3 0 0 0 0 0 0 7.0792 -7.7792 0.0000 C 0 0 3 0 0 0 0 0 0 7.0792 -8.3792 0.0000 C 0 0 3 0 0 0 0 0 0 7.6125 -8.6875 0.0000 C 0 0 3 0 0 0 0 0 0 5.0042 -5.3667 0.0000 N 0 0 3 0 0 0 0 0 0 7.6125 -9.2917 0.0000 C 0 0 3 0 0 0 0 0 0 7.0917 -3.5542 0.0000 N 0 3 0 0 0 0 0 0 0 4.4792 -5.6667 0.0000 C 0 0 0 0 0 0 0 0 0 3.9500 -5.3667 0.0000 C 0 0 0 0 0 0 0 0 0 5.8292 -5.1542 0.0000 O 0 0 0 0 0 0 0 0 0 5.2167 -6.1917 0.0000 O 0 0 0 0 0 0 0 0 0 6.5667 -3.8542 0.0000 C 0 0 0 0 0 0 0 0 0 6.5625 -5.6667 0.0000 F 0 0 0 0 0 0 0 0 0 5.6125 -6.3917 0.0000 F 0 0 0 0 0 0 0 0 0 7.6125 -3.8542 0.0000 O 0 5 0 0 0 0 0 0 0 5.0042 -4.7625 0.0000 C 0 0 0 0 0 0 0 0 0 7.0917 -2.9500 0.0000 O 0 0 0 0 0 0 0 0 0 5.5167 -6.8792 0.0000 F 0 0 0 0 0 0 0 0 0 6.4667 -6.1417 0.0000 F 0 0 0 0 0 0 0 0 0 7.0792 -6.5667 0.0000 F 0 0 0 0 0 0 0 0 0 6.1417 -7.3000 0.0000 F 0 0 0 0 0 0 0 0 0 7.6125 -7.4792 0.0000 F 0 0 0 0 0 0 0 0 0 6.6542 -8.2042 0.0000 F 0 0 0 0 0 0 0 0 0 6.0375 -7.7792 0.0000 F 0 0 0 0 0 0 0 0 0 6.9917 -7.0542 0.0000 F 0 0 0 0 0 0 0 0 0 6.5667 -8.6875 0.0000 F 0 0 0 0 0 0 0 0 0 7.5125 -7.9542 0.0000 F 0 0 0 0 0 0 0 0 0 8.2167 -8.6875 0.0000 F 0 0 0 0 0 0 0 0 0 7.1792 -9.1042 0.0000 F 0 0 0 0 0 0 0 0 0 3.4292 -5.6667 0.0000 O 0 0 0 0 0 0 0 0 0 3.9500 -4.7625 0.0000 N 0 0 0 0 0 0 0 0 0 7.6042 -9.8917 0.0000 F 0 0 0 0 0 0 0 0 0 8.1375 -9.5917 0.0000 F 0 0 0 0 0 0 0 0 0 7.0917 -9.5917 0.0000 F 0 0 0 0 0 0 0 0 0 6.5667 -4.4625 0.0000 C 0 0 0 0 0 0 0 0 0 6.0375 -3.5542 0.0000 C 0 0 0 0 0 0 0 0 0 5.5250 -4.4625 0.0000 C 0 0 0 0 0 0 0 0 0 6.0417 -4.7625 0.0000 C 0 0 0 0 0 0 0 0 0 5.5250 -3.8542 0.0000 C 0 0 0 0 0 0 0 0 0 3.4292 -4.4625 0.0000 O 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 6 5 1 0 0 0 7 6 1 0 0 0 8 7 1 0 0 0 9 2 1 0 0 0 10 8 1 0 0 0 11 16 1 0 0 0 12 9 1 0 0 0 13 12 1 0 0 0 14 2 2 0 0 0 15 2 2 0 0 0 16 40 1 0 0 0 17 1 1 0 0 0 18 1 1 0 0 0 19 11 1 0 0 0 20 9 1 0 0 0 21 11 2 0 0 0 22 3 1 0 0 0 23 3 1 0 0 0 24 4 1 0 0 0 25 4 1 0 0 0 26 6 1 0 0 0 27 6 1 0 0 0 28 5 1 0 0 0 29 5 1 0 0 0 30 7 1 0 0 0 31 7 1 0 0 0 32 8 1 0 0 0 33 8 1 0 0 0 34 13 2 0 0 0 35 13 1 0 0 0 36 10 1 0 0 0 37 10 1 0 0 0 38 10 1 0 0 0 39 42 1 0 0 0 40 43 2 0 0 0 41 20 1 0 0 0 42 41 2 0 0 0 43 41 1 0 0 0 44 35 1 0 0 0 39 16 2 0 0 0 M CHG 2 11 1 19 -1 M END > 8.09691001300806 > 8.09691001300806 $$$$ 11280715532D 1 1.00000 0.00000 0 33 34 0 0 0 999 V2000 0.4032 -4.6277 0.0000 C 0 0 0 0 0 0 0 0 0 0.4032 -5.4570 0.0000 C 0 0 0 0 0 0 0 0 0 1.1175 -5.8694 0.0000 N 0 0 3 0 0 0 0 0 0 1.8363 -5.4570 0.0000 C 0 0 0 0 0 0 0 0 0 1.8363 -4.6277 0.0000 C 0 0 0 0 0 0 0 0 0 1.1175 -4.2108 0.0000 C 0 0 3 0 0 0 0 0 0 0.3986 -3.7984 0.0000 C 0 0 0 0 0 0 0 0 0 1.8277 -3.7916 0.0000 C 0 0 0 0 0 0 0 0 0 1.8198 -2.9669 0.0000 S 0 0 3 0 0 0 0 0 0 1.8144 -2.1397 0.0000 C 0 0 0 0 0 0 0 0 0 0.9951 -2.9735 0.0000 O 0 0 0 0 0 0 0 0 0 2.6445 -2.9627 0.0000 O 0 0 0 0 0 0 0 0 0 0.3963 -2.9737 0.0000 O 0 0 0 0 0 0 0 0 0 -0.3145 -4.2128 0.0000 N 0 0 0 0 0 0 0 0 0 -1.0298 -3.8024 0.0000 O 0 0 0 0 0 0 0 0 0 2.5304 -1.7234 0.0000 C 0 0 0 0 0 0 0 0 0 2.5253 -0.8970 0.0000 C 0 0 0 0 0 0 0 0 0 1.8057 -0.4873 0.0000 C 0 0 0 0 0 0 0 0 0 1.0899 -0.9100 0.0000 C 0 0 0 0 0 0 0 0 0 1.0983 -1.7349 0.0000 C 0 0 0 0 0 0 0 0 0 1.7992 0.3374 0.0000 O 0 0 0 0 0 0 0 0 0 2.5103 0.7553 0.0000 C 0 0 0 0 0 0 0 0 0 2.5038 1.5801 0.0000 C 0 0 0 0 0 0 0 0 0 2.4971 2.4055 0.0000 C 0 0 0 0 0 0 0 0 0 2.4905 3.2302 0.0000 C 0 0 0 0 0 0 0 0 0 1.1163 -6.6941 0.0000 C 0 0 0 0 0 0 0 0 0 0.4015 -7.1055 0.0000 C 0 0 3 0 0 0 0 0 0 1.8299 -7.1075 0.0000 O 0 0 0 0 0 0 0 0 0 -0.3161 -7.5097 0.0000 C 0 0 0 0 0 0 0 0 0 0.8096 -7.8222 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0075 -6.3893 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0260 -7.0898 0.0000 O 0 0 0 0 0 0 0 0 0 1.6343 -7.8272 0.0000 O 0 0 0 0 0 0 0 0 0 6 8 1 0 0 0 16 17 1 0 0 0 1 6 1 0 0 0 17 18 2 0 0 0 8 9 1 0 0 0 18 19 1 0 0 0 2 3 1 0 0 0 19 20 2 0 0 0 20 10 1 0 0 0 9 10 1 0 0 0 18 21 1 0 0 0 3 4 1 0 0 0 21 22 1 0 0 0 9 11 2 0 0 0 22 23 1 0 0 0 4 5 1 0 0 0 23 24 3 0 0 0 9 12 2 0 0 0 24 25 1 0 0 0 5 6 1 0 0 0 3 26 1 0 0 0 7 13 2 0 0 0 26 27 1 0 0 0 26 28 2 0 0 0 7 14 1 0 0 0 27 29 1 0 0 0 6 7 1 0 0 0 27 30 1 0 0 0 14 15 1 0 0 0 27 31 1 0 0 0 1 2 1 0 0 0 29 32 1 0 0 0 10 16 2 0 0 0 30 33 1 0 0 0 M END > 7.26760624017703 > 5.47886191629596 $$$$ 11280715062D 1 1.00000 0.00000 0 31 32 0 0 0 999 V2000 -1.2333 -0.2375 0.0000 S 0 0 3 0 0 0 0 0 0 -1.4583 -0.7917 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7333 0.1000 0.0000 N 0 0 3 0 0 0 0 0 0 -1.0958 -1.2625 0.0000 C 0 0 0 0 0 0 0 0 0 -2.0583 -0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3208 -1.8167 0.0000 C 0 0 0 0 0 0 0 0 0 -2.2833 -1.4250 0.0000 C 0 0 0 0 0 0 0 0 0 -1.9208 -1.9000 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5750 1.9000 0.0000 N 0 3 0 0 0 0 0 0 0 -2.3208 0.0000 0.0000 C 0 0 3 0 0 0 0 0 0 -1.6750 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 -2.6958 0.4583 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1250 0.9625 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0750 1.5625 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7375 -0.5792 0.0000 O 0 0 0 0 0 0 0 0 0 -0.8875 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 -1.5333 2.5000 0.0000 O 0 5 0 0 0 0 0 0 0 -2.1208 1.6458 0.0000 O 0 0 0 0 0 0 0 0 0 -3.2833 0.3625 0.0000 O 0 0 0 0 0 0 0 0 0 -0.4958 -1.2625 0.0000 F 0 0 0 0 0 0 0 0 0 -2.2000 -0.4125 0.0000 F 0 0 0 0 0 0 0 0 0 -2.6875 1.0583 0.0000 N 0 0 0 0 0 0 0 0 0 -2.8833 -1.4250 0.0000 F 0 0 0 0 0 0 0 0 0 -0.9000 -2.2375 0.0000 F 0 0 0 0 0 0 0 0 0 -2.0750 -2.4792 0.0000 F 0 0 0 0 0 0 0 0 0 -2.5250 -0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 -3.2083 1.3583 0.0000 O 0 0 0 0 0 0 0 0 0 -0.6333 0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5333 1.8250 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0833 0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0458 1.4833 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 2 1 0 0 0 5 2 2 0 0 0 6 4 2 0 0 0 7 5 1 0 0 0 8 7 2 0 0 0 9 14 1 0 0 0 10 3 1 0 0 0 11 3 1 0 0 0 12 10 1 0 0 0 13 11 1 0 0 0 14 13 1 0 0 0 15 1 2 0 0 0 16 1 2 0 0 0 17 9 1 0 0 0 18 9 2 0 0 0 19 12 2 0 0 0 20 4 1 0 0 0 21 5 1 0 0 0 22 12 1 0 0 0 23 7 1 0 0 0 24 6 1 0 0 0 25 8 1 0 0 0 26 10 1 0 0 0 27 22 1 0 0 0 28 13 2 0 0 0 29 14 2 0 0 0 30 28 1 0 0 0 31 30 2 0 0 0 8 6 1 0 0 0 29 31 1 0 0 0 M CHG 2 9 1 17 -1 M END > 8.30102999566398 > 8.30102999566398 $$$$ 11280715292D 1 1.00000 0.00000 0 23 24 0 1 0 999 V2000 3.3917 -5.4542 0.0000 S 0 0 3 0 0 0 0 0 0 3.3875 -6.2792 0.0000 N 0 0 3 0 0 0 0 0 0 2.6375 -6.6292 0.0000 C 0 0 1 0 0 0 0 0 0 2.0042 -6.1125 0.0000 C 0 0 0 0 0 0 0 0 0 2.4417 -7.4417 0.0000 C 0 0 3 0 0 0 0 0 0 3.3917 -4.6292 0.0000 C 0 0 0 0 0 0 0 0 0 2.5667 -5.4417 0.0000 O 0 0 0 0 0 0 0 0 0 4.2167 -5.4542 0.0000 O 0 0 0 0 0 0 0 0 0 2.9542 -8.0917 0.0000 S 0 0 0 0 0 0 0 0 0 1.9917 -5.2875 0.0000 O 0 0 0 0 0 0 0 0 0 1.2542 -6.4625 0.0000 N 0 0 0 0 0 0 0 0 0 4.1292 -6.6500 0.0000 C 0 0 0 0 0 0 0 0 0 4.1125 -4.2042 0.0000 C 0 0 0 0 0 0 0 0 0 2.6750 -4.2250 0.0000 C 0 0 0 0 0 0 0 0 0 3.3792 -2.9667 0.0000 C 0 0 0 0 0 0 0 0 0 2.6667 -3.4000 0.0000 C 0 0 0 0 0 0 0 0 0 4.1000 -3.3792 0.0000 C 0 0 0 0 0 0 0 0 0 3.3667 -2.1417 0.0000 Br 0 0 0 0 0 0 0 0 0 0.5750 -5.9917 0.0000 O 0 0 0 0 0 0 0 0 0 4.3042 -7.4542 0.0000 C 0 0 0 0 0 0 0 0 0 3.7792 -8.1042 0.0000 C 0 0 0 0 0 0 0 0 0 1.6417 -7.2167 0.0000 C 0 0 0 0 0 0 0 0 0 1.8542 -8.0167 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 3 4 1 6 0 0 5 3 1 0 0 0 6 1 1 0 0 0 7 1 2 0 0 0 8 1 2 0 0 0 9 5 1 0 0 0 10 4 2 0 0 0 11 4 1 0 0 0 12 2 1 0 0 0 13 6 2 0 0 0 14 6 1 0 0 0 15 16 1 0 0 0 16 14 2 0 0 0 17 13 1 0 0 0 18 15 1 0 0 0 19 11 1 0 0 0 20 12 1 0 0 0 21 20 1 0 0 0 22 5 1 0 0 0 23 5 1 0 0 0 15 17 2 0 0 0 21 9 1 0 0 0 M END > 8.88605664769316 > 9.15490195998574 $$$$ 11280715012D 1 1.00000 0.00000 0 35 38 0 1 0 999 V2000 3.6750 -1.2500 0.0000 S 0 0 3 0 0 0 0 0 0 2.9542 -0.8375 0.0000 N 0 0 0 0 0 0 0 0 0 2.2375 -1.2500 0.0000 C 0 0 1 0 0 0 0 0 0 1.5250 -0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 4.3875 -0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 4.2542 -1.8375 0.0000 O 0 0 0 0 0 0 0 0 0 3.0875 -1.8375 0.0000 O 0 0 0 0 0 0 0 0 0 2.2417 -2.0750 0.0000 C 0 0 3 0 0 0 0 0 0 5.8167 -0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 6.5292 0.4083 0.0000 C 0 0 0 0 0 0 0 0 0 2.2375 -4.5417 0.0000 N 0 0 0 0 0 0 0 0 0 1.5250 -0.0125 0.0000 O 0 0 0 0 0 0 0 0 0 5.1000 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 4.3875 -0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 5.8167 -0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 5.1000 0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 6.5250 1.2250 0.0000 C 0 0 0 0 0 0 0 0 0 7.2417 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 1.5250 -2.4875 0.0000 C 0 0 0 0 0 0 0 0 0 2.9542 -2.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0.8125 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 2.2375 -3.7167 0.0000 C 0 0 3 0 0 0 0 0 0 7.9500 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 2.9500 -4.9625 0.0000 C 0 0 0 0 0 0 0 0 0 7.2292 1.6458 0.0000 C 0 0 0 0 0 0 0 0 0 7.9542 0.4083 0.0000 C 0 0 0 0 0 0 0 0 0 2.9500 -3.3042 0.0000 C 0 0 0 0 0 0 0 0 0 1.5250 -3.3042 0.0000 C 0 0 0 0 0 0 0 0 0 8.6625 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 2.9417 -5.7875 0.0000 C 0 0 0 0 0 0 0 0 0 3.6625 -4.5500 0.0000 C 0 0 0 0 0 0 0 0 0 9.3792 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 4.3750 -4.9542 0.0000 C 0 0 0 0 0 0 0 0 0 3.6542 -6.2000 0.0000 C 0 0 0 0 0 0 0 0 0 4.3750 -5.7875 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 6 0 0 4 3 1 0 0 0 5 1 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 3 1 0 0 0 9 16 2 0 0 0 10 9 1 0 0 0 11 22 1 0 0 0 12 4 2 0 0 0 13 5 1 0 0 0 14 5 2 0 0 0 15 13 2 0 0 0 16 14 1 0 0 0 17 10 1 0 0 0 18 10 2 0 0 0 19 8 1 0 0 0 20 8 1 0 0 0 21 4 1 0 0 0 22 27 1 0 0 0 23 26 2 0 0 0 24 11 1 0 0 0 25 17 2 0 0 0 26 18 1 0 0 0 27 20 1 0 0 0 28 19 1 0 0 0 29 23 1 0 0 0 30 24 2 0 0 0 31 24 1 0 0 0 32 29 1 0 0 0 33 31 2 0 0 0 34 30 1 0 0 0 35 33 1 0 0 0 15 9 1 0 0 0 28 22 1 0 0 0 23 25 1 0 0 0 34 35 2 0 0 0 M END > 7.58502665202918 > 5.08249449044745 $$$$ 11280714562D 1 1.00000 0.00000 0 25 26 0 1 0 999 V2000 4.9875 -3.7167 0.0000 S 0 0 3 0 0 0 0 0 0 5.8167 -3.7167 0.0000 N 0 0 0 0 0 0 0 0 0 6.2292 -3.0000 0.0000 C 0 0 1 0 0 0 0 0 0 7.0417 -2.9875 0.0000 C 0 0 0 0 0 0 0 0 0 4.1667 -3.7292 0.0000 C 0 0 0 0 0 0 0 0 0 4.9875 -2.8792 0.0000 O 0 0 0 0 0 0 0 0 0 4.9875 -4.5417 0.0000 O 0 0 0 0 0 0 0 0 0 7.4625 -3.7000 0.0000 O 0 0 0 0 0 0 0 0 0 7.4625 -2.2792 0.0000 N 0 0 0 0 0 0 0 0 0 5.8125 -2.2792 0.0000 C 0 0 3 0 0 0 0 0 0 3.7417 -3.0250 0.0000 C 0 0 0 0 0 0 0 0 0 3.7667 -4.4542 0.0000 C 0 0 0 0 0 0 0 0 0 1.7167 -3.9750 0.0000 O 0 0 0 0 0 0 0 0 0 2.5250 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 2.9167 -3.0417 0.0000 C 0 0 0 0 0 0 0 0 0 2.9417 -4.4542 0.0000 C 0 0 0 0 0 0 0 0 0 1.5042 -4.7792 0.0000 C 0 0 0 0 0 0 0 0 0 8.2875 -2.2750 0.0000 O 0 0 0 0 0 0 0 0 0 5.0917 -1.8625 0.0000 C 0 0 0 0 0 0 0 0 0 6.2167 -1.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0.7125 -5.0042 0.0000 C 0 0 0 0 0 0 0 0 0 2.0917 -5.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0.5042 -5.8042 0.0000 C 0 0 0 0 0 0 0 0 0 1.8875 -6.1542 0.0000 C 0 0 0 0 0 0 0 0 0 1.0917 -6.3792 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 1 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 4 2 0 0 0 9 4 1 0 0 0 3 10 1 6 0 0 11 5 1 0 0 0 12 5 2 0 0 0 13 14 1 0 0 0 14 16 2 0 0 0 15 11 2 0 0 0 16 12 1 0 0 0 17 13 1 0 0 0 18 9 1 0 0 0 19 10 1 0 0 0 20 10 1 0 0 0 21 17 1 0 0 0 22 17 2 0 0 0 23 21 2 0 0 0 24 22 1 0 0 0 25 24 2 0 0 0 14 15 1 0 0 0 25 23 1 0 0 0 M END > 8.69897000433602 > 7.30102999566398 $$$$ 11280715002D 1 1.00000 0.00000 0 39 41 0 0 0 999 V2000 5.2625 -5.2167 0.0000 S 0 0 3 0 0 0 0 0 0 7.8667 -7.9292 0.0000 S 0 0 3 0 0 0 0 0 0 4.7417 -4.9167 0.0000 N 0 0 3 0 0 0 0 0 0 7.8625 -7.3250 0.0000 N 0 0 0 0 0 0 0 0 0 6.8375 -3.1125 0.0000 N 0 3 0 0 0 0 0 0 0 7.3417 -7.0250 0.0000 C 0 0 0 0 0 0 0 0 0 4.2167 -5.2167 0.0000 C 0 0 0 0 0 0 0 0 0 3.6917 -4.9167 0.0000 C 0 0 0 0 0 0 0 0 0 5.7875 -5.5250 0.0000 C 0 0 0 0 0 0 0 0 0 7.8625 -8.5292 0.0000 C 0 0 0 0 0 0 0 0 0 4.9625 -5.7417 0.0000 O 0 0 0 0 0 0 0 0 0 5.5792 -4.7042 0.0000 O 0 0 0 0 0 0 0 0 0 6.3167 -3.4167 0.0000 C 0 0 0 0 0 0 0 0 0 8.4667 -7.9292 0.0000 O 0 0 0 0 0 0 0 0 0 7.2625 -7.9292 0.0000 O 0 0 0 0 0 0 0 0 0 7.3417 -6.4167 0.0000 N 0 0 0 0 0 0 0 0 0 7.3625 -3.4167 0.0000 O 0 5 0 0 0 0 0 0 0 4.7417 -4.3167 0.0000 C 0 0 0 0 0 0 0 0 0 6.8375 -2.5042 0.0000 O 0 0 0 0 0 0 0 0 0 6.8167 -7.3292 0.0000 O 0 0 0 0 0 0 0 0 0 3.1750 -5.2167 0.0000 O 0 0 0 0 0 0 0 0 0 3.6917 -4.3167 0.0000 N 0 0 0 0 0 0 0 0 0 6.2917 -5.2167 0.0000 C 0 0 0 0 0 0 0 0 0 5.7792 -6.1167 0.0000 C 0 0 0 0 0 0 0 0 0 8.3792 -8.8292 0.0000 C 0 0 0 0 0 0 0 0 0 7.3375 -8.8292 0.0000 C 0 0 0 0 0 0 0 0 0 6.3167 -4.0167 0.0000 C 0 0 0 0 0 0 0 0 0 5.7875 -3.1125 0.0000 C 0 0 0 0 0 0 0 0 0 6.8125 -6.1167 0.0000 C 0 0 0 0 0 0 0 0 0 5.2625 -4.0167 0.0000 C 0 0 0 0 0 0 0 0 0 7.8500 -9.7292 0.0000 C 0 0 0 0 0 0 0 0 0 6.8125 -5.5167 0.0000 C 0 0 0 0 0 0 0 0 0 6.2917 -6.4167 0.0000 C 0 0 0 0 0 0 0 0 0 5.7917 -4.3167 0.0000 C 0 0 0 0 0 0 0 0 0 5.2625 -3.4167 0.0000 C 0 0 0 0 0 0 0 0 0 7.3292 -9.4292 0.0000 C 0 0 0 0 0 0 0 0 0 8.3667 -9.4292 0.0000 C 0 0 0 0 0 0 0 0 0 7.8417 -10.3375 0.0000 Cl 0 0 0 0 0 0 0 0 0 3.1750 -4.0167 0.0000 O 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 3 1 1 0 0 0 4 6 1 0 0 0 5 13 1 0 0 0 6 16 1 0 0 0 7 3 1 0 0 0 8 7 1 0 0 0 9 1 1 0 0 0 10 2 1 0 0 0 11 1 2 0 0 0 12 1 2 0 0 0 13 28 1 0 0 0 14 2 2 0 0 0 15 2 2 0 0 0 16 29 1 0 0 0 17 5 1 0 0 0 18 3 1 0 0 0 19 5 2 0 0 0 20 6 2 0 0 0 21 8 2 0 0 0 22 8 1 0 0 0 23 9 1 0 0 0 24 9 2 0 0 0 25 10 1 0 0 0 26 10 2 0 0 0 27 34 1 0 0 0 28 35 2 0 0 0 29 33 2 0 0 0 30 18 1 0 0 0 31 36 2 0 0 0 32 23 2 0 0 0 33 24 1 0 0 0 34 30 2 0 0 0 35 30 1 0 0 0 36 26 1 0 0 0 37 25 2 0 0 0 38 31 1 0 0 0 39 22 1 0 0 0 29 32 1 0 0 0 27 13 2 0 0 0 37 31 1 0 0 0 M CHG 2 5 1 17 -1 M END > 7.88605664769316 > 7.88605664769316 $$$$ 11280715082D 1 1.00000 0.00000 0 25 25 0 0 0 999 V2000 4.1125 -2.8375 0.0000 S 0 0 3 0 0 0 0 0 0 4.8250 -2.4167 0.0000 C 0 0 3 0 0 0 0 0 0 5.5417 -2.8250 0.0000 C 0 0 0 0 0 0 0 0 0 5.5375 -2.0042 0.0000 C 0 0 0 0 0 0 0 0 0 4.1042 -2.0167 0.0000 C 0 0 0 0 0 0 0 0 0 3.2875 -2.8667 0.0000 C 0 0 0 0 0 0 0 0 0 3.5250 -3.4167 0.0000 O 0 0 0 0 0 0 0 0 0 4.6917 -3.4167 0.0000 O 0 0 0 0 0 0 0 0 0 5.5292 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 4.1000 -1.1917 0.0000 C 0 0 0 0 0 0 0 0 0 5.5500 -3.6500 0.0000 O 0 0 0 0 0 0 0 0 0 6.2500 -2.4042 0.0000 N 0 0 0 0 0 0 0 0 0 3.3792 -0.7792 0.0000 C 0 0 0 0 0 0 0 0 0 6.2417 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 2.9042 -3.6000 0.0000 C 0 0 0 0 0 0 0 0 0 2.8417 -2.1667 0.0000 C 0 0 0 0 0 0 0 0 0 2.0167 -2.2042 0.0000 C 0 0 0 0 0 0 0 0 0 2.0792 -3.6292 0.0000 C 0 0 0 0 0 0 0 0 0 1.6375 -2.9375 0.0000 C 0 0 0 0 0 0 0 0 0 6.9667 -2.8042 0.0000 O 0 0 0 0 0 0 0 0 0 3.3792 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 6.9542 -1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 6.2292 0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 2.6667 -1.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0.8125 -2.9667 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 2 1 0 0 0 5 2 1 0 0 0 6 1 1 0 0 0 7 1 2 0 0 0 8 1 2 0 0 0 9 4 1 0 0 0 10 5 1 0 0 0 11 3 2 0 0 0 12 3 1 0 0 0 13 10 2 0 0 0 14 9 2 0 0 0 15 6 1 0 0 0 16 6 2 0 0 0 17 16 1 0 0 0 18 15 2 0 0 0 19 17 2 0 0 0 20 12 1 0 0 0 21 13 1 0 0 0 22 14 1 0 0 0 23 14 1 0 0 0 24 13 1 0 0 0 25 19 1 0 0 0 18 19 1 0 0 0 M END > 8.22184874961636 > 6.58169870868026 $$$$ 11280715532D 1 1.00000 0.00000 0 32 34 0 0 0 999 V2000 -4.5682 -1.6861 0.0000 C 0 0 0 0 0 0 0 0 0 -4.5682 -2.5154 0.0000 C 0 0 0 0 0 0 0 0 0 -3.8538 -2.9278 0.0000 N 0 0 3 0 0 0 0 0 0 -3.1351 -2.5154 0.0000 C 0 0 0 0 0 0 0 0 0 -3.1351 -1.6861 0.0000 C 0 0 0 0 0 0 0 0 0 -3.8538 -1.2692 0.0000 C 0 0 3 0 0 0 0 0 0 -4.5727 -0.8568 0.0000 C 0 0 0 0 0 0 0 0 0 -3.1436 -0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 -3.1515 -0.0253 0.0000 S 0 0 3 0 0 0 0 0 0 -3.1569 0.8019 0.0000 C 0 0 0 0 0 0 0 0 0 -3.9762 -0.0319 0.0000 O 0 0 0 0 0 0 0 0 0 -2.3267 -0.0211 0.0000 O 0 0 0 0 0 0 0 0 0 -4.5750 -0.0321 0.0000 O 0 0 0 0 0 0 0 0 0 -5.2858 -1.2712 0.0000 N 0 0 0 0 0 0 0 0 0 -6.0012 -0.8608 0.0000 O 0 0 0 0 0 0 0 0 0 -2.4410 1.2182 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4459 2.0446 0.0000 C 0 0 0 0 0 0 0 0 0 -3.1656 2.4543 0.0000 C 0 0 0 0 0 0 0 0 0 -3.8815 2.0316 0.0000 C 0 0 0 0 0 0 0 0 0 -3.8730 1.2066 0.0000 C 0 0 0 0 0 0 0 0 0 -3.1720 3.2789 0.0000 O 0 0 0 0 0 0 0 0 0 -2.4610 3.6969 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4675 4.5230 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4742 5.3470 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4809 6.1718 0.0000 C 0 0 0 0 0 0 0 0 0 -3.8550 -3.7525 0.0000 C 0 0 0 0 0 0 0 0 0 -4.5698 -4.1639 0.0000 C 0 0 0 0 0 0 0 0 0 -5.2789 -3.7470 0.0000 C 0 0 0 0 0 0 0 0 0 -5.9932 -4.1577 0.0000 C 0 0 0 0 0 0 0 0 0 -5.9948 -4.9833 0.0000 N 0 0 0 0 0 0 0 0 0 -5.2761 -5.3965 0.0000 C 0 0 0 0 0 0 0 0 0 -4.5647 -4.9835 0.0000 C 0 0 0 0 0 0 0 0 0 10 16 2 0 0 0 6 8 1 0 0 0 16 17 1 0 0 0 1 6 1 0 0 0 17 18 2 0 0 0 8 9 1 0 0 0 18 19 1 0 0 0 2 3 1 0 0 0 19 20 2 0 0 0 20 10 1 0 0 0 9 10 1 0 0 0 18 21 1 0 0 0 3 4 1 0 0 0 21 22 1 0 0 0 9 11 2 0 0 0 22 23 1 0 0 0 4 5 1 0 0 0 23 24 3 0 0 0 9 12 2 0 0 0 24 25 1 0 0 0 5 6 1 0 0 0 3 26 1 0 0 0 7 13 2 0 0 0 26 27 1 0 0 0 27 28 2 0 0 0 7 14 1 0 0 0 28 29 1 0 0 0 6 7 1 0 0 0 29 30 2 0 0 0 14 15 1 0 0 0 30 31 1 0 0 0 1 2 1 0 0 0 31 32 2 0 0 0 32 27 1 0 0 0 M END > 6.94309514866353 > 5.13966199342901 $$$$ 11280715442D 1 1.00000 0.00000 0 29 31 0 1 0 999 V2000 -0.9125 0.8125 0.0000 S 0 0 3 0 0 0 0 0 0 -0.9083 1.6333 0.0000 C 0 0 1 0 0 0 0 0 0 -0.1875 2.0458 0.0000 C 0 0 2 0 0 0 0 0 0 0.5167 1.6208 0.0000 C 0 0 0 0 0 0 0 0 0 -0.9125 -0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7458 0.8208 0.0000 O 0 0 0 0 0 0 0 0 0 -0.0875 0.8125 0.0000 O 0 0 0 0 0 0 0 0 0 0.5125 0.8000 0.0000 O 0 0 0 0 0 0 0 0 0 1.2375 2.0208 0.0000 N 0 0 0 0 0 0 0 0 0 0.3917 2.6333 0.0000 O 0 0 0 0 0 0 0 0 0 -1.6208 2.0458 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1833 2.8583 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8875 3.2833 0.0000 O 0 0 0 0 0 0 0 0 0 -0.1958 -0.4250 0.0000 C 0 0 0 0 0 0 0 0 0 -1.6250 -0.4250 0.0000 C 0 0 0 0 0 0 0 0 0 -0.9125 -2.4875 0.0000 O 0 0 0 0 0 0 0 0 0 -0.9125 -1.6625 0.0000 C 0 0 0 0 0 0 0 0 0 1.2292 -2.9000 0.0000 C 0 0 0 0 0 0 0 0 0 1.9500 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1958 -2.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0.5167 -2.4875 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1958 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 -1.6250 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 2.6542 -2.9042 0.0000 Cl 0 0 0 0 0 0 0 0 0 1.9500 1.6083 0.0000 O 0 0 0 0 0 0 0 0 0 -1.6125 2.8833 0.0000 C 0 0 0 0 0 0 0 0 0 1.2167 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 1.9500 -1.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0.5125 -1.6667 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 6 0 0 3 2 1 0 0 0 3 4 1 6 0 0 5 1 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 4 2 0 0 0 9 4 1 0 0 0 3 10 1 1 0 0 11 2 1 0 0 0 12 3 1 0 0 0 13 26 1 0 0 0 14 5 2 0 0 0 15 5 1 0 0 0 16 17 1 0 0 0 17 23 1 0 0 0 18 21 2 0 0 0 19 18 1 0 0 0 20 16 1 0 0 0 21 20 1 0 0 0 22 14 1 0 0 0 23 15 2 0 0 0 24 19 1 0 0 0 25 9 1 0 0 0 26 11 1 0 0 0 27 29 2 0 0 0 28 27 1 0 0 0 29 21 1 0 0 0 22 17 2 0 0 0 12 13 1 0 0 0 19 28 2 0 0 0 M END > 8.61978875828839 > 5.10237290870956 $$$$ 11280715072D 1 1.00000 0.00000 0 40 42 0 1 0 999 V2000 5.3792 -2.5917 0.0000 N 0 0 0 0 0 0 0 0 0 4.6667 -3.0125 0.0000 C 0 0 0 0 0 0 0 0 0 2.5250 -2.6125 0.0000 P 0 0 3 0 0 0 0 0 0 3.9500 -2.6042 0.0000 C 0 0 3 0 0 0 0 0 0 6.0917 -3.0042 0.0000 C 0 0 2 0 0 0 0 0 0 6.8042 -2.5875 0.0000 C 0 0 0 0 0 0 0 0 0 3.2375 -3.0167 0.0000 C 0 0 0 0 0 0 0 0 0 6.1000 -3.8292 0.0000 C 0 0 3 0 0 0 0 0 0 2.5167 -1.7875 0.0000 O 0 0 0 0 0 0 0 0 0 4.6667 -3.8375 0.0000 O 0 0 0 0 0 0 0 0 0 3.9417 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 6.8042 -1.7625 0.0000 O 0 0 0 0 0 0 0 0 0 1.8125 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 7.5250 -3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 -1.7625 -1.8042 0.0000 C 0 0 0 0 0 0 0 0 0 2.5167 -3.4375 0.0000 O 0 0 0 0 0 0 0 0 0 -1.0500 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4833 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 1.0917 -2.6167 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3333 -1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 -3.1958 -1.8125 0.0000 C 0 0 0 0 0 0 0 0 0 4.6542 -1.3625 0.0000 C 0 0 0 0 0 0 0 0 0 -3.9083 -1.3917 0.0000 F 0 0 0 0 0 0 0 0 0 -0.3333 -2.6250 0.0000 C 0 0 0 0 0 0 0 0 0 1.0875 -1.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0.3667 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0.3792 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 4.6542 -0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4833 -3.0500 0.0000 C 0 0 0 0 0 0 0 0 0 6.9250 -3.8292 0.0000 C 0 0 0 0 0 0 0 0 0 6.1125 -4.6542 0.0000 C 0 0 0 0 0 0 0 0 0 5.2750 -3.8250 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7625 -2.6375 0.0000 C 0 0 0 0 0 0 0 0 0 -3.1958 -2.6375 0.0000 C 0 0 0 0 0 0 0 0 0 8.2375 -2.5792 0.0000 C 0 0 0 0 0 0 0 0 0 3.9417 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 5.3667 -0.1250 0.0000 C 0 0 0 0 0 0 0 0 0 5.3625 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 3.9292 0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 4.6417 1.1083 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 7 1 0 0 0 4 2 1 0 0 0 5 1 1 0 0 0 6 5 1 0 0 0 7 4 1 0 0 0 5 8 1 6 0 0 9 3 2 0 0 0 10 2 2 0 0 0 4 11 1 0 0 0 12 6 2 0 0 0 13 3 1 0 0 0 14 6 1 0 0 0 15 17 1 0 0 0 16 3 1 0 0 0 17 20 1 0 0 0 18 15 2 0 0 0 19 13 1 0 0 0 20 24 2 0 0 0 21 18 1 0 0 0 22 11 1 0 0 0 23 21 1 0 0 0 24 27 1 0 0 0 25 19 1 0 0 0 26 25 2 0 0 0 27 19 2 0 0 0 28 22 1 0 0 0 29 33 2 0 0 0 30 8 1 0 0 0 31 8 1 0 0 0 32 8 1 0 0 0 33 15 1 0 0 0 34 29 1 0 0 0 35 14 1 0 0 0 36 28 1 0 0 0 37 28 2 0 0 0 38 37 1 0 0 0 39 36 2 0 0 0 40 38 2 0 0 0 40 39 1 0 0 0 20 26 1 0 0 0 34 21 2 0 0 0 M END > 7.23657200643706 > 5.79588001734407 $$$$ 11280715232D 1 1.00000 0.00000 0 29 30 0 0 0 999 V2000 5.1125 -3.0792 0.0000 S 0 0 3 0 0 0 0 0 0 5.8292 -3.4667 0.0000 C 0 0 0 0 0 0 0 0 0 4.4167 -2.6750 0.0000 N 0 0 3 0 0 0 0 0 0 5.8417 -4.2875 0.0000 C 0 0 0 0 0 0 0 0 0 6.5167 -3.0500 0.0000 C 0 0 0 0 0 0 0 0 0 7.2292 -3.4292 0.0000 C 0 0 0 0 0 0 0 0 0 6.5625 -4.6667 0.0000 C 0 0 0 0 0 0 0 0 0 7.2542 -4.2417 0.0000 C 0 0 0 0 0 0 0 0 0 3.7042 -3.0792 0.0000 C 0 0 3 0 0 0 0 0 0 3.0042 -2.6750 0.0000 C 0 0 0 0 0 0 0 0 0 4.4167 -1.8625 0.0000 C 0 0 0 0 0 0 0 0 0 4.3750 -3.7917 0.0000 O 0 0 0 0 0 0 0 0 0 5.8167 -2.3542 0.0000 O 0 0 0 0 0 0 0 0 0 5.1125 -1.4542 0.0000 C 0 0 0 0 0 0 0 0 0 2.2917 -3.0792 0.0000 O 0 0 0 0 0 0 0 0 0 5.1125 -0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 6.5000 -2.2292 0.0000 F 0 0 0 0 0 0 0 0 0 5.1417 -4.7000 0.0000 F 0 0 0 0 0 0 0 0 0 3.0042 -1.8625 0.0000 N 0 0 0 0 0 0 0 0 0 6.5792 -5.4917 0.0000 F 0 0 0 0 0 0 0 0 0 7.9250 -3.0042 0.0000 F 0 0 0 0 0 0 0 0 0 7.9667 -4.6417 0.0000 F 0 0 0 0 0 0 0 0 0 4.4042 -0.2417 0.0000 Cl 0 0 0 0 0 0 0 0 0 3.7042 -3.8917 0.0000 C 0 0 0 0 0 0 0 0 0 2.2917 -1.4542 0.0000 O 0 0 0 0 0 0 0 0 0 5.8250 -1.8625 0.0000 C 0 0 0 0 0 0 0 0 0 5.8167 -0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 6.5292 -1.4542 0.0000 C 0 0 0 0 0 0 0 0 0 6.5292 -0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 2 2 0 0 0 5 2 1 0 0 0 6 5 2 0 0 0 7 4 1 0 0 0 8 6 1 0 0 0 9 3 1 0 0 0 10 9 1 0 0 0 11 3 1 0 0 0 12 1 2 0 0 0 13 1 2 0 0 0 14 11 1 0 0 0 15 10 2 0 0 0 16 14 1 0 0 0 17 5 1 0 0 0 18 4 1 0 0 0 19 10 1 0 0 0 20 7 1 0 0 0 21 6 1 0 0 0 22 8 1 0 0 0 23 16 1 0 0 0 24 9 1 0 0 0 25 19 1 0 0 0 26 14 2 0 0 0 27 16 2 0 0 0 28 26 1 0 0 0 29 28 2 0 0 0 7 8 2 0 0 0 29 27 1 0 0 0 M END > 8.30102999566398 > 8.30102999566398 $$$$ 11280715072D 1 1.00000 0.00000 0 31 32 0 0 0 999 V2000 5.1167 -4.0167 0.0000 S 0 0 3 0 0 0 0 0 0 5.8292 -3.6042 0.0000 C 0 0 3 0 0 0 0 0 0 6.5417 -4.0042 0.0000 C 0 0 0 0 0 0 0 0 0 4.2917 -4.0542 0.0000 C 0 0 0 0 0 0 0 0 0 4.5292 -4.6042 0.0000 O 0 0 0 0 0 0 0 0 0 5.7000 -4.6042 0.0000 O 0 0 0 0 0 0 0 0 0 5.1042 -3.2042 0.0000 C 0 0 0 0 0 0 0 0 0 6.5542 -4.8292 0.0000 O 0 0 0 0 0 0 0 0 0 7.2542 -3.5917 0.0000 N 0 0 0 0 0 0 0 0 0 4.3792 -1.1500 0.0000 N 0 0 0 0 0 0 0 0 0 3.8500 -3.3542 0.0000 C 0 0 0 0 0 0 0 0 0 3.9042 -4.7792 0.0000 C 0 0 0 0 0 0 0 0 0 6.5417 -3.1875 0.0000 C 0 0 0 0 0 0 0 0 0 5.1042 -2.3750 0.0000 C 0 0 0 0 0 0 0 0 0 2.6417 -4.1167 0.0000 C 0 0 0 0 0 0 0 0 0 3.0792 -4.8167 0.0000 C 0 0 0 0 0 0 0 0 0 3.0167 -3.3917 0.0000 C 0 0 0 0 0 0 0 0 0 7.9750 -3.9917 0.0000 O 0 0 0 0 0 0 0 0 0 1.8167 -4.1542 0.0000 O 0 0 0 0 0 0 0 0 0 4.3875 -1.9750 0.0000 C 0 0 0 0 0 0 0 0 0 5.0917 -0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 5.8167 -1.9542 0.0000 C 0 0 0 0 0 0 0 0 0 1.4292 -4.8875 0.0000 C 0 0 0 0 0 0 0 0 0 6.5292 -2.3625 0.0000 C 0 0 0 0 0 0 0 0 0 8.6542 0.5458 0.0000 C 0 0 0 0 0 0 0 0 0 7.9417 0.1250 0.0000 C 0 0 0 0 0 0 0 0 0 7.9500 -0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 7.2417 -1.9417 0.0000 C 0 0 0 0 0 0 0 0 0 7.2375 -1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 5.8167 -1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 8.6417 1.3708 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 1 1 0 0 0 5 1 2 0 0 0 6 1 2 0 0 0 7 2 1 0 0 0 8 3 2 0 0 0 9 3 1 0 0 0 10 20 2 0 0 0 11 4 2 0 0 0 12 4 1 0 0 0 13 2 1 0 0 0 14 7 1 0 0 0 15 16 1 0 0 0 16 12 2 0 0 0 17 11 1 0 0 0 18 9 1 0 0 0 19 15 1 0 0 0 20 14 1 0 0 0 21 30 2 0 0 0 22 14 2 0 0 0 23 19 1 0 0 0 24 13 1 0 0 0 25 26 1 0 0 0 26 27 1 0 0 0 27 29 1 0 0 0 28 24 1 0 0 0 29 28 1 0 0 0 30 22 1 0 0 0 31 25 1 0 0 0 15 17 2 0 0 0 21 10 1 0 0 0 M END > 7.36653154442041 > 6.28232949699774 $$$$ 11280715122D 1 1.00000 0.00000 0 37 38 0 1 0 999 V2000 8.1250 -2.5375 0.0000 C 0 0 0 0 0 0 0 0 0 8.6292 -2.8167 0.0000 N 0 0 0 0 0 0 0 0 0 7.6125 -2.8167 0.0000 C 0 0 1 0 0 0 0 0 0 7.6167 -1.0250 0.0000 C 0 0 0 0 0 0 0 0 0 11.1917 -2.4667 0.0000 C 0 0 0 0 0 0 0 0 0 7.1042 -2.5375 0.0000 C 0 0 1 0 0 0 0 0 0 11.7292 -2.7292 0.0000 N 0 0 3 0 0 0 0 0 0 9.6375 -2.8167 0.0000 C 0 0 0 0 0 0 0 0 0 6.5917 -2.8167 0.0000 C 0 0 0 0 0 0 0 0 0 9.1375 -2.5375 0.0000 C 0 0 2 0 0 0 0 0 0 10.1417 -2.5375 0.0000 N 0 0 0 0 0 0 0 0 0 8.1500 -0.4667 0.0000 N 0 0 0 0 0 0 0 0 0 7.0917 -0.7167 0.0000 O 0 0 0 0 0 0 0 0 0 8.1250 -1.9500 0.0000 O 0 0 0 0 0 0 0 0 0 10.6917 -2.8042 0.0000 C 0 0 0 0 0 0 0 0 0 7.6125 -3.4042 0.0000 C 0 0 0 0 0 0 0 0 0 7.6125 -1.6375 0.0000 O 0 0 0 0 0 0 0 0 0 11.1500 -1.8667 0.0000 O 0 0 0 0 0 0 0 0 0 9.6375 -3.4042 0.0000 O 0 0 0 0 0 0 0 0 0 6.5917 -3.2917 0.0000 O 0 0 0 0 0 0 0 0 0 6.0917 -2.5375 0.0000 N 0 0 0 0 0 0 0 0 0 12.8042 -3.2542 0.0000 O 0 0 0 0 0 0 0 0 0 5.5875 -2.8167 0.0000 O 0 0 0 0 0 0 0 0 0 11.7667 -3.3292 0.0000 C 0 0 0 0 0 0 0 0 0 12.2167 -2.3917 0.0000 C 0 0 0 0 0 0 0 0 0 7.1042 -1.9500 0.0000 C 0 0 0 0 0 0 0 0 0 8.6542 -0.9667 0.0000 C 0 0 0 0 0 0 0 0 0 7.2000 -3.8250 0.0000 C 0 0 3 0 0 0 0 0 0 9.1375 -1.9500 0.0000 C 0 0 0 0 0 0 0 0 0 12.7625 -2.6542 0.0000 C 0 0 0 0 0 0 0 0 0 12.3042 -3.5917 0.0000 C 0 0 0 0 0 0 0 0 0 6.5667 -1.0250 0.0000 C 0 0 0 0 0 0 0 0 0 6.5750 -1.6375 0.0000 C 0 0 0 0 0 0 0 0 0 7.4792 -4.3167 0.0000 C 0 0 0 0 0 0 0 0 0 6.6042 -3.8250 0.0000 C 0 0 0 0 0 0 0 0 0 9.1667 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 9.5417 -1.3250 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 13 1 0 0 0 5 15 1 0 0 0 6 3 1 0 0 0 7 5 1 0 0 0 8 10 1 0 0 0 9 6 1 0 0 0 10 2 1 0 0 0 11 8 1 0 0 0 12 27 1 0 0 0 13 32 1 0 0 0 14 1 2 0 0 0 15 11 1 0 0 0 3 16 1 6 0 0 17 4 2 0 0 0 18 5 2 0 0 0 19 8 2 0 0 0 20 9 2 0 0 0 21 9 1 0 0 0 22 30 1 0 0 0 23 21 1 0 0 0 24 7 1 0 0 0 25 7 1 0 0 0 6 26 1 1 0 0 27 36 1 0 0 0 28 16 1 0 0 0 10 29 1 1 0 0 30 25 1 0 0 0 31 24 1 0 0 0 32 33 1 0 0 0 33 26 1 0 0 0 34 28 1 0 0 0 35 28 1 0 0 0 36 37 1 0 0 0 37 29 1 0 0 0 4 12 1 0 0 0 31 22 1 0 0 0 M END > 8.63827216398241 > 7.88605664769316 $$$$ 11280715442D 1 1.00000 0.00000 0 30 32 0 1 0 999 V2000 0.2000 -0.4000 0.0000 S 0 0 3 0 0 0 0 0 0 0.2000 0.4250 0.0000 N 0 0 3 0 0 0 0 0 0 0.9125 0.8333 0.0000 C 0 0 1 0 0 0 0 0 0 1.6250 0.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0.1917 -1.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0.9125 1.6583 0.0000 C 0 0 1 0 0 0 0 0 0 1.0250 -0.4000 0.0000 O 0 0 0 0 0 0 0 0 0 -0.6250 -0.3917 0.0000 O 0 0 0 0 0 0 0 0 0 2.0292 -0.2917 0.0000 O 0 0 0 0 0 0 0 0 0 2.3375 0.8375 0.0000 N 0 0 0 0 0 0 0 0 0 -0.5083 0.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0.9000 -1.6375 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5250 -1.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0.1667 -3.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0.1750 -2.8667 0.0000 C 0 0 0 0 0 0 0 0 0 1.6250 2.0833 0.0000 O 0 0 0 0 0 0 0 0 0 3.0167 -2.8667 0.0000 C 0 0 0 0 0 0 0 0 0 1.5917 -3.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0.8792 -4.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0.8917 -2.4625 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5333 -2.4500 0.0000 C 0 0 0 0 0 0 0 0 0 3.7292 -2.4542 0.0000 F 0 0 0 0 0 0 0 0 0 3.0500 0.4250 0.0000 O 0 0 0 0 0 0 0 0 0 3.0167 -3.6917 0.0000 C 0 0 0 0 0 0 0 0 0 2.3000 -2.4542 0.0000 C 0 0 0 0 0 0 0 0 0 2.3042 -4.1042 0.0000 C 0 0 0 0 0 0 0 0 0 1.5875 -2.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0.2000 2.0833 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5083 1.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0.9042 2.4833 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 3 4 1 6 0 0 5 1 1 0 0 0 6 3 1 0 0 0 7 1 2 0 0 0 8 1 2 0 0 0 9 4 2 0 0 0 10 4 1 0 0 0 11 2 1 0 0 0 12 5 1 0 0 0 13 5 2 0 0 0 14 15 1 0 0 0 15 21 2 0 0 0 6 16 1 6 0 0 17 25 1 0 0 0 18 19 1 0 0 0 19 14 1 0 0 0 20 12 2 0 0 0 21 13 1 0 0 0 22 17 1 0 0 0 23 10 1 0 0 0 24 26 1 0 0 0 25 27 2 0 0 0 26 18 2 0 0 0 27 18 1 0 0 0 28 29 1 0 0 0 29 11 1 0 0 0 6 30 1 1 0 0 15 20 1 0 0 0 28 6 1 0 0 0 17 24 2 0 0 0 M END > 8.18708664335714 > 5.95860731484178 $$$$ 11280715212D 1 1.00000 0.00000 0 31 33 0 1 0 999 V2000 2.6792 -1.4917 0.0000 N 0 0 3 0 0 0 0 0 0 2.9125 -2.0500 0.0000 C 0 0 0 0 0 0 0 0 0 2.0792 -1.5542 0.0000 C 0 0 0 0 0 0 0 0 0 2.4625 -2.4417 0.0000 N 0 0 3 0 0 0 0 0 0 1.9417 -2.1417 0.0000 C 0 0 3 0 0 0 0 0 0 2.9792 -0.3792 0.0000 C 0 0 2 0 0 0 0 0 0 3.5042 -0.0792 0.0000 C 0 0 2 0 0 0 0 0 0 4.0250 -0.3792 0.0000 C 0 0 0 0 0 0 0 0 0 2.9792 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 4.5417 -0.0792 0.0000 N 0 0 3 0 0 0 0 0 0 2.4667 -0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 3.5125 -2.0500 0.0000 O 0 0 0 0 0 0 0 0 0 1.5542 -1.2542 0.0000 O 0 0 0 0 0 0 0 0 0 3.5042 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 4.0250 -0.9792 0.0000 O 0 0 0 0 0 0 0 0 0 2.4667 0.5208 0.0000 O 0 0 0 0 0 0 0 0 0 1.9417 -0.3792 0.0000 N 0 0 0 0 0 0 0 0 0 2.4542 -3.0417 0.0000 C 0 0 0 0 0 0 0 0 0 1.3417 -2.1417 0.0000 C 0 0 0 0 0 0 0 0 0 1.6417 -2.6542 0.0000 C 0 0 0 0 0 0 0 0 0 1.4250 -0.0792 0.0000 O 0 0 0 0 0 0 0 0 0 5.0625 -0.3792 0.0000 C 0 0 0 0 0 0 0 0 0 4.5417 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 3.7917 1.0458 0.0000 C 0 0 3 0 0 0 0 0 0 4.3917 1.1083 0.0000 C 0 0 0 0 0 0 0 0 0 3.5542 1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 5.5792 -0.0875 0.0000 C 0 0 0 0 0 0 0 0 0 5.0667 0.8125 0.0000 C 0 0 0 0 0 0 0 0 0 3.9917 1.9958 0.0000 C 0 0 0 0 0 0 0 0 0 4.5167 1.6958 0.0000 C 0 0 0 0 0 0 0 0 0 5.5792 0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 2 1 0 0 0 5 3 1 0 0 0 6 9 1 6 0 0 7 6 1 0 0 0 8 7 1 0 0 0 9 1 1 0 0 0 10 8 1 0 0 0 11 6 1 0 0 0 12 2 2 0 0 0 13 3 2 0 0 0 7 14 1 1 0 0 15 8 2 0 0 0 16 11 2 0 0 0 17 11 1 0 0 0 18 4 1 0 0 0 19 5 1 0 0 0 20 5 1 0 0 0 21 17 1 0 0 0 22 10 1 0 0 0 23 10 1 0 0 0 24 14 1 0 0 0 25 24 1 0 0 0 26 24 1 0 0 0 27 22 1 0 0 0 28 23 1 0 0 0 29 26 1 0 0 0 30 25 1 0 0 0 31 28 1 0 0 0 4 5 1 0 0 0 29 30 1 0 0 0 31 27 1 0 0 0 M END > 9.27572413039921 > 9.52287874528034 $$$$ 11280715232D 1 1.00000 0.00000 0 26 25 0 0 0 999 V2000 6.1667 -3.0542 0.0000 C 0 0 3 0 0 0 0 0 0 5.4417 -2.6667 0.0000 S 0 0 3 0 0 0 0 0 0 6.1875 -3.8750 0.0000 C 0 0 3 0 0 0 0 0 0 6.9000 -4.2542 0.0000 C 0 0 3 0 0 0 0 0 0 6.9167 -5.0792 0.0000 C 0 0 3 0 0 0 0 0 0 4.7500 -2.2625 0.0000 N 0 0 0 0 0 0 0 0 0 4.0375 -2.6667 0.0000 C 0 0 3 0 0 0 0 0 0 3.3250 -2.2625 0.0000 C 0 0 0 0 0 0 0 0 0 6.1542 -1.9417 0.0000 O 0 0 0 0 0 0 0 0 0 4.7125 -3.3792 0.0000 O 0 0 0 0 0 0 0 0 0 6.8625 -2.6375 0.0000 F 0 0 0 0 0 0 0 0 0 5.6000 -3.6417 0.0000 F 0 0 0 0 0 0 0 0 0 5.4917 -4.2875 0.0000 F 0 0 0 0 0 0 0 0 0 6.7417 -3.2792 0.0000 F 0 0 0 0 0 0 0 0 0 7.5917 -3.8417 0.0000 F 0 0 0 0 0 0 0 0 0 6.3375 -4.8417 0.0000 F 0 0 0 0 0 0 0 0 0 4.0375 -3.4667 0.0000 C 0 0 0 0 0 0 0 0 0 2.6292 -2.6667 0.0000 O 0 0 0 0 0 0 0 0 0 3.3250 -1.4500 0.0000 N 0 0 0 0 0 0 0 0 0 7.6292 -5.4667 0.0000 F 0 0 0 0 0 0 0 0 0 6.2167 -5.5000 0.0000 F 0 0 0 0 0 0 0 0 0 7.4792 -4.4917 0.0000 F 0 0 0 0 0 0 0 0 0 2.6292 -1.0417 0.0000 O 0 0 0 0 0 0 0 0 0 3.3250 -3.8917 0.0000 C 0 0 3 0 0 0 0 0 0 3.3250 -4.7042 0.0000 C 0 0 0 0 0 0 0 0 0 2.6292 -3.4667 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 6 2 1 0 0 0 7 6 1 0 0 0 8 7 1 0 0 0 9 2 2 0 0 0 10 2 2 0 0 0 11 1 1 0 0 0 12 1 1 0 0 0 13 3 1 0 0 0 14 3 1 0 0 0 15 4 1 0 0 0 16 4 1 0 0 0 17 7 1 0 0 0 18 8 2 0 0 0 19 8 1 0 0 0 20 5 1 0 0 0 21 5 1 0 0 0 22 5 1 0 0 0 23 19 1 0 0 0 24 17 1 0 0 0 25 24 1 0 0 0 26 24 1 0 0 0 M END > 7.16115090926274 > 7.16115090926274 $$$$ 11280715452D 1 1.00000 0.00000 0 33 36 0 1 0 999 V2000 3.7292 -5.9250 0.0000 S 0 0 3 0 0 0 0 0 0 3.7292 -5.1000 0.0000 N 0 0 3 0 0 0 0 0 0 4.4417 -4.6917 0.0000 C 0 0 1 0 0 0 0 0 0 5.1542 -5.1042 0.0000 C 0 0 0 0 0 0 0 0 0 3.7292 -6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 4.4417 -3.8667 0.0000 C 0 0 2 0 0 0 0 0 0 4.5542 -5.9250 0.0000 O 0 0 0 0 0 0 0 0 0 2.9042 -5.9250 0.0000 O 0 0 0 0 0 0 0 0 0 5.1167 -10.8750 0.0000 C 0 0 0 0 0 0 0 0 0 4.4042 -10.4625 0.0000 C 0 0 0 0 0 0 0 0 0 5.8417 -10.4625 0.0000 N 0 0 0 0 0 0 0 0 0 5.5667 -5.8167 0.0000 O 0 0 0 0 0 0 0 0 0 5.8667 -4.6875 0.0000 N 0 0 0 0 0 0 0 0 0 4.4042 -9.6375 0.0000 C 0 0 0 0 0 0 0 0 0 3.0167 -4.6917 0.0000 C 0 0 0 0 0 0 0 0 0 3.0042 -7.1500 0.0000 C 0 0 0 0 0 0 0 0 0 4.4292 -7.1625 0.0000 C 0 0 0 0 0 0 0 0 0 3.7042 -9.2250 0.0000 O 0 0 0 0 0 0 0 0 0 5.1042 -11.7000 0.0000 C 0 0 0 0 0 0 0 0 0 3.7042 -8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 4.4417 -3.0417 0.0000 O 0 0 0 0 0 0 0 0 0 4.4292 -7.9875 0.0000 C 0 0 0 0 0 0 0 0 0 2.9917 -7.9750 0.0000 C 0 0 0 0 0 0 0 0 0 6.5792 -5.1000 0.0000 O 0 0 0 0 0 0 0 0 0 3.7292 -3.4500 0.0000 C 0 0 0 0 0 0 0 0 0 3.0167 -3.8667 0.0000 C 0 0 0 0 0 0 0 0 0 3.6917 -10.8625 0.0000 C 0 0 0 0 0 0 0 0 0 5.2417 -3.6500 0.0000 C 0 0 0 0 0 0 0 0 0 3.6792 -11.6875 0.0000 C 0 0 0 0 0 0 0 0 0 6.5542 -10.8875 0.0000 C 0 0 0 0 0 0 0 0 0 4.3917 -12.1125 0.0000 C 0 0 0 0 0 0 0 0 0 5.8167 -12.1250 0.0000 C 0 0 0 0 0 0 0 0 0 6.5417 -11.7167 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 3 4 1 6 0 0 5 1 1 0 0 0 6 3 1 0 0 0 7 1 2 0 0 0 8 1 2 0 0 0 9 10 2 0 0 0 10 14 1 0 0 0 11 9 1 0 0 0 12 4 2 0 0 0 13 4 1 0 0 0 14 18 1 0 0 0 15 2 1 0 0 0 16 5 2 0 0 0 17 5 1 0 0 0 18 20 1 0 0 0 19 9 1 0 0 0 20 22 1 0 0 0 6 21 1 1 0 0 22 17 2 0 0 0 23 16 1 0 0 0 24 13 1 0 0 0 25 26 1 0 0 0 26 15 1 0 0 0 27 10 1 0 0 0 6 28 1 6 0 0 29 27 2 0 0 0 30 11 2 0 0 0 31 29 1 0 0 0 32 19 1 0 0 0 33 32 2 0 0 0 20 23 2 0 0 0 25 6 1 0 0 0 19 31 2 0 0 0 33 30 1 0 0 0 M END > 8.38721614328026 > 6.92081875395237 $$$$ 11280715302D 1 1.00000 0.00000 0 23 24 0 1 0 999 V2000 2.7292 -1.6000 0.0000 S 0 0 3 0 0 0 0 0 0 2.7292 -2.1917 0.0000 N 0 0 3 0 0 0 0 0 0 2.2417 -2.5500 0.0000 C 0 0 1 0 0 0 0 0 0 1.6750 -2.3667 0.0000 C 0 0 0 0 0 0 0 0 0 2.3042 -3.1417 0.0000 C 0 0 3 0 0 0 0 0 0 2.7250 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 2.1292 -1.5917 0.0000 O 0 0 0 0 0 0 0 0 0 3.3292 -1.6000 0.0000 O 0 0 0 0 0 0 0 0 0 2.8542 -3.3875 0.0000 S 0 0 0 0 0 0 0 0 0 3.2792 -2.4292 0.0000 C 0 0 0 0 0 0 0 0 0 1.5500 -1.7792 0.0000 O 0 0 0 0 0 0 0 0 0 1.2292 -2.7667 0.0000 N 0 0 0 0 0 0 0 0 0 3.2417 -0.6917 0.0000 C 0 0 0 0 0 0 0 0 0 2.1917 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 3.3417 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 2.7042 0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 3.2292 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 2.1917 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0.6542 -2.5792 0.0000 O 0 0 0 0 0 0 0 0 0 2.7000 0.8000 0.0000 O 0 0 0 0 0 0 0 0 0 1.7042 -3.1417 0.0000 C 0 0 0 0 0 0 0 0 0 2.1500 -3.7167 0.0000 C 0 0 0 0 0 0 0 0 0 3.2125 1.1083 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 3 4 1 6 0 0 5 3 1 0 0 0 6 1 1 0 0 0 7 1 2 0 0 0 8 1 2 0 0 0 9 15 1 0 0 0 10 2 1 0 0 0 11 4 2 0 0 0 12 4 1 0 0 0 13 6 2 0 0 0 14 6 1 0 0 0 15 10 1 0 0 0 16 18 1 0 0 0 17 13 1 0 0 0 18 14 2 0 0 0 19 12 1 0 0 0 20 16 1 0 0 0 21 5 1 0 0 0 22 5 1 0 0 0 23 20 1 0 0 0 16 17 2 0 0 0 9 5 1 0 0 0 M END > 9 > 9.39794000867204 $$$$ 11290715122D 1 1.00000 0.00000 0 25 26 0 0 0 999 V2000 17.7402 -22.0250 0.0000 C 0 0 0 0 0 0 0 0 0 17.7391 -22.8523 0.0000 C 0 0 0 0 0 0 0 0 0 18.4539 -23.2652 0.0000 C 0 0 0 0 0 0 0 0 0 19.1703 -22.8519 0.0000 C 0 0 0 0 0 0 0 0 0 19.1675 -22.0213 0.0000 C 0 0 0 0 0 0 0 0 0 18.4521 -21.6122 0.0000 C 0 0 0 0 0 0 0 0 0 17.0257 -21.6126 0.0000 O 0 0 0 0 0 0 0 0 0 16.3113 -22.0253 0.0000 C 0 0 0 0 0 0 0 0 0 15.5967 -21.6130 0.0000 C 0 0 0 0 0 0 0 0 0 14.8792 -21.2000 0.0000 C 0 0 0 0 0 0 0 0 0 14.1625 -20.7875 0.0000 C 0 0 0 0 0 0 0 0 0 19.8855 -23.2632 0.0000 S 0 0 3 0 0 0 0 0 0 20.5958 -23.6750 0.0000 C 0 0 3 0 0 0 0 0 0 20.2980 -22.5488 0.0000 O 0 0 0 0 0 0 0 0 0 19.4763 -23.9796 0.0000 O 0 0 0 0 0 0 0 0 0 21.3110 -23.2637 0.0000 C 0 0 0 0 0 0 0 0 0 22.0248 -23.6775 0.0000 N 0 0 0 0 0 0 0 0 0 21.3124 -22.4387 0.0000 O 0 0 0 0 0 0 0 0 0 22.7400 -23.2662 0.0000 O 0 0 0 0 0 0 0 0 0 20.5944 -24.5000 0.0000 C 0 0 0 0 0 0 0 0 0 19.8776 -24.9106 0.0000 C 0 0 0 0 0 0 0 0 0 19.8759 -25.7349 0.0000 C 0 0 0 0 0 0 0 0 0 20.5902 -26.1494 0.0000 C 0 0 0 0 0 0 0 0 0 21.3077 -25.7337 0.0000 C 0 0 0 0 0 0 0 0 0 21.3060 -24.9108 0.0000 C 0 0 0 0 0 0 0 0 0 6 1 1 0 0 0 12 13 1 0 0 0 1 2 2 0 0 0 12 14 2 0 0 0 1 7 1 0 0 0 12 15 2 0 0 0 3 4 2 0 0 0 13 16 1 0 0 0 7 8 1 0 0 0 16 17 1 0 0 0 16 18 2 0 0 0 8 9 1 0 0 0 17 19 1 0 0 0 4 5 1 0 0 0 9 10 3 0 0 0 20 21 2 0 0 0 2 3 1 0 0 0 21 22 1 0 0 0 10 11 1 0 0 0 22 23 2 0 0 0 5 6 2 0 0 0 23 24 1 0 0 0 4 12 1 0 0 0 24 25 2 0 0 0 25 20 1 0 0 0 13 20 1 0 0 0 M END > 7.16749108729376 > 5.340368988393 $$$$ SciTegic11161115462D 27 29 0 0 0 0 999 V2000 6.3113 -2.4170 0.0000 C 0 0 5.5951 -2.8284 0.0000 C 0 0 5.5933 -3.6498 0.0000 C 0 0 6.3061 -4.0660 0.0000 O 0 0 7.0223 -3.6546 0.0000 C 0 0 7.0257 -2.8269 0.0000 C 0 0 7.0257 -2.0043 0.0000 S 0 0 7.4380 -1.2897 0.0000 O 0 0 6.6130 -1.2899 0.0000 O 0 0 7.7402 -2.4166 0.0000 C 0 0 7.7391 -3.2440 0.0000 C 0 0 8.4539 -3.6569 0.0000 C 0 0 9.1703 -3.2435 0.0000 C 0 0 9.1675 -2.4130 0.0000 C 0 0 8.4521 -2.0039 0.0000 C 0 0 9.8855 -3.6549 0.0000 O 0 0 5.5967 -2.0046 0.0000 C 0 0 5.5965 -1.1796 0.0000 O 0 0 4.8824 -2.4173 0.0000 N 0 0 4.1678 -2.0050 0.0000 O 0 0 10.5993 -3.2413 0.0000 C 0 0 11.3110 -3.6531 0.0000 C 0 0 12.0244 -3.2402 0.0000 C 0 0 12.0235 -2.4143 0.0000 C 0 0 11.3034 -2.0031 0.0000 C 0 0 10.5930 -2.4184 0.0000 C 0 0 12.7368 -1.9997 0.0000 O 0 0 7 9 2 0 14 15 2 0 15 10 1 0 13 16 1 0 10 7 1 0 7 1 1 0 1 2 1 0 1 17 1 0 1 6 1 0 17 18 2 0 2 3 1 0 17 19 1 0 3 4 1 0 19 20 1 0 10 11 2 0 16 21 1 0 4 5 1 0 21 22 2 0 11 12 1 0 22 23 1 0 5 6 1 0 23 24 2 0 12 13 2 0 24 25 1 0 8 7 2 0 25 26 2 0 26 21 1 0 13 14 1 0 24 27 1 0 M END > 9.52287874528034 > 6.39794000867204 $$$$ 11280715012D 1 1.00000 0.00000 0 37 39 0 0 0 999 V2000 3.1500 -4.1292 0.0000 S 0 0 3 0 0 0 0 0 0 2.4292 -3.7250 0.0000 N 0 0 0 0 0 0 0 0 0 1.7167 -4.1292 0.0000 C 0 0 3 0 0 0 0 0 0 -0.4333 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0.2875 -6.6000 0.0000 N 0 0 3 0 0 0 0 0 0 1.0042 -3.7250 0.0000 C 0 0 0 0 0 0 0 0 0 1.7167 -4.9625 0.0000 C 0 0 3 0 0 0 0 0 0 3.8667 -3.7250 0.0000 C 0 0 0 0 0 0 0 0 0 1.0000 -6.1917 0.0000 C 0 0 3 0 0 0 0 0 0 1.0000 -5.3667 0.0000 C 0 0 0 0 0 0 0 0 0 2.5625 -4.7167 0.0000 O 0 0 0 0 0 0 0 0 0 3.7292 -4.7167 0.0000 O 0 0 0 0 0 0 0 0 0 -0.4333 -5.3625 0.0000 O 0 0 0 0 0 0 0 0 0 5.2917 -2.8917 0.0000 C 0 0 0 0 0 0 0 0 0 6.0042 -2.4792 0.0000 C 0 0 0 0 0 0 0 0 0 1.0000 -2.9000 0.0000 O 0 0 0 0 0 0 0 0 0 4.5792 -4.1292 0.0000 C 0 0 0 0 0 0 0 0 0 3.8667 -2.9000 0.0000 C 0 0 0 0 0 0 0 0 0 5.2917 -3.7250 0.0000 C 0 0 0 0 0 0 0 0 0 4.5792 -2.4792 0.0000 C 0 0 0 0 0 0 0 0 0 6.0000 -1.6542 0.0000 C 0 0 0 0 0 0 0 0 0 6.7167 -2.8917 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1458 -6.5917 0.0000 O 0 0 0 0 0 0 0 0 0 0.2875 -4.1292 0.0000 O 0 0 0 0 0 0 0 0 0 7.4292 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 7.4292 -2.4792 0.0000 C 0 0 0 0 0 0 0 0 0 6.7042 -1.2417 0.0000 C 0 0 0 0 0 0 0 0 0 2.4292 -5.3667 0.0000 C 0 0 0 0 0 0 0 0 0 1.7125 -6.6042 0.0000 C 0 0 0 0 0 0 0 0 0 8.1417 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0.2792 -7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 2.4292 -6.1917 0.0000 C 0 0 0 0 0 0 0 0 0 -3.2875 -6.1792 0.0000 O 0 0 0 0 0 0 0 0 0 -1.8583 -6.1792 0.0000 C 0 0 0 0 0 0 0 0 0 -2.5750 -6.5917 0.0000 C 0 0 0 0 0 0 0 0 0 8.8542 -1.6417 0.0000 C 0 0 0 0 0 0 0 0 0 -4.0083 -6.5875 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 5 1 0 0 0 5 9 1 0 0 0 6 3 1 0 0 0 7 3 1 0 0 0 8 1 1 0 0 0 9 10 1 0 0 0 10 7 1 0 0 0 11 1 2 0 0 0 12 1 2 0 0 0 13 4 2 0 0 0 14 20 2 0 0 0 15 14 1 0 0 0 16 6 2 0 0 0 17 8 1 0 0 0 18 8 2 0 0 0 19 17 2 0 0 0 20 18 1 0 0 0 21 15 1 0 0 0 22 15 2 0 0 0 23 4 1 0 0 0 24 6 1 0 0 0 25 26 2 0 0 0 26 22 1 0 0 0 27 21 2 0 0 0 28 7 1 0 0 0 29 32 1 0 0 0 30 25 1 0 0 0 31 5 1 0 0 0 32 28 1 0 0 0 33 35 1 0 0 0 34 23 1 0 0 0 35 34 1 0 0 0 36 30 1 0 0 0 37 33 1 0 0 0 19 14 1 0 0 0 9 29 1 0 0 0 25 27 1 0 0 0 M END > 7.95860731484177 > 5.32513885926219 $$$$ 11280715172D 1 1.00000 0.00000 0 44 47 0 0 0 999 V2000 2.2542 -3.9542 0.0000 S 0 0 3 0 0 0 0 0 0 1.6542 -3.9542 0.0000 N 0 0 3 0 0 0 0 0 0 1.3542 -4.4667 0.0000 C 0 0 3 0 0 0 0 0 0 1.2292 -3.5292 0.0000 C 0 0 0 0 0 0 0 0 0 1.6542 -4.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0.3292 -2.4042 0.0000 C 0 0 3 0 0 0 0 0 0 0.6292 -3.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0.3292 -3.0042 0.0000 N 0 0 0 0 0 0 0 0 0 2.2542 -3.3542 0.0000 C 0 0 0 0 0 0 0 0 0 2.2542 -4.5542 0.0000 O 0 0 0 0 0 0 0 0 0 2.8542 -3.9667 0.0000 O 0 0 0 0 0 0 0 0 0 -0.1958 -2.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0.7417 -1.9792 0.0000 C 0 0 0 0 0 0 0 0 0 1.3167 -2.1292 0.0000 N 0 0 0 0 0 0 0 0 0 -0.7083 -2.4042 0.0000 N 0 0 0 0 0 0 0 0 0 2.2292 -5.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0.3292 -4.0417 0.0000 O 0 0 0 0 0 0 0 0 0 1.4917 -5.5667 0.0000 N 0 0 0 0 0 0 0 0 0 0.7667 -4.6292 0.0000 C 0 0 0 0 0 0 0 0 0 1.7417 -3.0542 0.0000 C 0 0 0 0 0 0 0 0 0 2.7792 -3.0542 0.0000 C 0 0 0 0 0 0 0 0 0 2.2542 -2.1542 0.0000 C 0 0 0 0 0 0 0 0 0 2.7792 -2.4542 0.0000 C 0 0 0 0 0 0 0 0 0 1.7417 -2.4542 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1208 -5.2917 0.0000 S 0 0 0 0 0 0 0 0 0 1.4917 -6.1667 0.0000 O 0 0 0 0 0 0 0 0 0 2.2542 -1.5542 0.0000 O 0 0 0 0 0 0 0 0 0 -0.8583 -6.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0.4667 -5.1417 0.0000 C 0 0 0 0 0 0 0 0 0 -1.2333 -2.1042 0.0000 C 0 0 0 0 0 0 0 0 0 1.7417 -1.7042 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2708 -5.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0.5917 -1.4042 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1958 -1.5042 0.0000 C 0 0 0 0 0 0 0 0 0 2.7667 -1.2542 0.0000 C 0 0 0 0 0 0 0 0 0 -1.2833 -5.5917 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0208 -6.6042 0.0000 C 0 0 0 0 0 0 0 0 0 1.5917 -1.1292 0.0000 C 0 0 0 0 0 0 0 0 0 -1.2333 -1.5042 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7208 -1.2042 0.0000 C 0 0 0 0 0 0 0 0 0 1.0042 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5958 -6.7667 0.0000 C 0 0 0 0 0 0 0 0 0 -1.8708 -5.7542 0.0000 C 0 0 0 0 0 0 0 0 0 -2.0208 -6.3292 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 2 1 0 0 0 5 3 1 0 0 0 6 8 1 0 0 0 7 4 1 0 0 0 8 7 1 0 0 0 9 1 1 0 0 0 10 1 2 0 0 0 11 1 2 0 0 0 12 6 1 0 0 0 13 6 1 0 0 0 14 13 2 0 0 0 15 12 1 0 0 0 16 5 2 0 0 0 17 7 2 0 0 0 18 5 1 0 0 0 19 3 1 0 0 0 20 9 1 0 0 0 21 9 2 0 0 0 22 23 2 0 0 0 23 21 1 0 0 0 24 20 2 0 0 0 25 29 1 0 0 0 26 18 1 0 0 0 27 22 1 0 0 0 28 32 1 0 0 0 29 19 1 0 0 0 30 15 2 0 0 0 31 14 1 0 0 0 32 25 1 0 0 0 33 13 1 0 0 0 34 12 2 0 0 0 35 27 1 0 0 0 36 28 2 0 0 0 37 28 1 0 0 0 38 41 1 0 0 0 39 40 2 0 0 0 40 34 1 0 0 0 41 33 2 0 0 0 42 37 2 0 0 0 43 36 1 0 0 0 44 42 1 0 0 0 22 24 1 0 0 0 38 31 2 0 0 0 39 30 1 0 0 0 44 43 2 0 0 0 M END > 9.39794000867204 > 7.4089353929735 $$$$ SciTegic04151115542D 22 22 0 0 0 0 999 V2000 19.4152 -1.1333 0.0000 C 0 0 19.4141 -1.9607 0.0000 C 0 0 20.1289 -2.3735 0.0000 C 0 0 20.8453 -1.9602 0.0000 C 0 0 20.8425 -1.1297 0.0000 C 0 0 20.1271 -0.7205 0.0000 C 0 0 20.1287 -3.1985 0.0000 O 0 0 19.4141 -3.6109 0.0000 C 0 0 20.1246 0.1045 0.0000 S 0 0 19.4089 0.5148 0.0000 N 0 0 20.6583 0.7125 0.0000 O 0 0 20.8333 -0.3042 0.0000 O 0 0 19.4065 1.3398 0.0000 C 0 0 18.6957 0.1002 0.0000 C 0 0 20.1197 1.7545 0.0000 C 0 0 2 0 0 0 17.9800 0.5106 0.0000 C 0 0 17.2668 0.0959 0.0000 N 0 0 17.9775 1.3356 0.0000 O 0 0 16.5511 0.5063 0.0000 O 0 0 20.8354 1.3441 0.0000 O 0 0 20.1172 2.5795 0.0000 C 0 0 20.8305 2.9941 0.0000 O 0 0 9 11 2 0 5 6 2 0 9 12 2 0 6 1 1 0 10 13 1 0 1 2 2 0 10 14 1 0 3 7 1 0 13 15 1 0 3 4 2 0 14 16 1 0 7 8 1 0 16 17 1 0 16 18 2 0 6 9 1 0 17 19 1 0 4 5 1 0 15 20 1 1 9 10 1 0 15 21 1 0 2 3 1 0 21 22 1 0 M END > 8.44369749923271 > 6.79588001734407 $$$$ 11280715332D 1 1.00000 0.00000 0 29 30 0 1 0 999 V2000 5.6750 -2.7167 0.0000 S 0 0 3 0 0 0 0 0 0 5.8875 -3.5250 0.0000 N 0 0 3 0 0 0 0 0 0 5.2917 -4.1042 0.0000 C 0 0 1 0 0 0 0 0 0 4.4792 -3.9875 0.0000 C 0 0 0 0 0 0 0 0 0 6.6042 -3.9000 0.0000 C 0 0 0 0 0 0 0 0 0 6.4667 -4.7167 0.0000 C 0 0 0 0 0 0 0 0 0 5.6625 -4.8292 0.0000 C 0 0 0 0 0 0 0 0 0 6.4792 -2.5042 0.0000 C 0 0 0 0 0 0 0 0 0 7.0292 -5.3125 0.0000 N 0 0 0 0 0 0 0 0 0 5.4625 -1.9167 0.0000 O 0 0 0 0 0 0 0 0 0 4.8667 -2.9292 0.0000 O 0 0 0 0 0 0 0 0 0 4.1750 -3.2250 0.0000 O 0 0 0 0 0 0 0 0 0 7.8292 -5.1167 0.0000 O 0 0 0 0 0 0 0 0 0 3.9667 -4.6375 0.0000 N 0 0 0 0 0 0 0 0 0 8.3917 -5.7167 0.0000 C 0 0 3 0 0 0 0 0 0 6.6917 -1.7167 0.0000 C 0 0 0 0 0 0 0 0 0 7.0542 -3.0875 0.0000 C 0 0 0 0 0 0 0 0 0 8.0542 -2.0750 0.0000 C 0 0 0 0 0 0 0 0 0 7.8417 -2.8750 0.0000 C 0 0 0 0 0 0 0 0 0 7.4917 -1.5042 0.0000 C 0 0 0 0 0 0 0 0 0 3.1500 -4.5167 0.0000 O 0 0 0 0 0 0 0 0 0 8.8542 -1.8375 0.0000 O 0 0 0 0 0 0 0 0 0 7.7917 -6.2792 0.0000 C 0 0 0 0 0 0 0 0 0 8.9917 -5.1542 0.0000 C 0 0 0 0 0 0 0 0 0 8.9542 -6.3167 0.0000 C 0 0 0 0 0 0 0 0 0 9.4542 -2.4042 0.0000 C 0 0 0 0 0 0 0 0 0 10.2292 -2.1792 0.0000 C 0 0 0 0 0 0 0 0 0 10.8292 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 11.6125 -2.5250 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 2 1 0 0 0 6 5 1 0 0 0 3 7 1 6 0 0 8 1 1 0 0 0 9 6 2 0 0 0 10 1 2 0 0 0 11 1 2 0 0 0 12 4 2 0 0 0 13 9 1 0 0 0 14 4 1 0 0 0 15 13 1 0 0 0 16 8 1 0 0 0 17 8 2 0 0 0 18 19 2 0 0 0 19 17 1 0 0 0 20 16 2 0 0 0 21 14 1 0 0 0 22 18 1 0 0 0 23 15 1 0 0 0 24 15 1 0 0 0 25 15 1 0 0 0 26 22 1 0 0 0 27 26 1 0 0 0 28 27 1 0 0 0 29 28 1 0 0 0 18 20 1 0 0 0 6 7 1 0 0 0 M END > 9.39794000867204 > 7.13076828026902 $$$$ 11280715082D 1 1.00000 0.00000 0 25 26 0 0 0 999 V2000 3.3042 -2.4292 0.0000 S 0 0 3 0 0 0 0 0 0 4.0167 -2.0125 0.0000 C 0 0 3 0 0 0 0 0 0 4.7292 -2.4167 0.0000 C 0 0 0 0 0 0 0 0 0 2.7375 -1.8292 0.0000 C 0 0 0 0 0 0 0 0 0 3.8875 -3.0125 0.0000 O 0 0 0 0 0 0 0 0 0 2.7167 -3.0125 0.0000 O 0 0 0 0 0 0 0 0 0 4.7292 -1.5917 0.0000 C 0 0 0 0 0 0 0 0 0 4.7417 -3.2417 0.0000 O 0 0 0 0 0 0 0 0 0 5.4417 -2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 1.9375 -2.0167 0.0000 C 0 0 0 0 0 0 0 0 0 3.2917 -1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0.2792 -2.0875 0.0000 C 0 0 0 0 0 0 0 0 0 4.7167 -0.7667 0.0000 C 0 0 0 0 0 0 0 0 0 6.1625 -2.4000 0.0000 O 0 0 0 0 0 0 0 0 0 1.4917 -1.3167 0.0000 C 0 0 0 0 0 0 0 0 0 1.5500 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0.7250 -2.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0.6667 -1.3542 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5458 -2.1167 0.0000 O 0 0 0 0 0 0 0 0 0 4.0042 -0.3667 0.0000 C 0 0 0 0 0 0 0 0 0 5.4375 -0.3542 0.0000 C 0 0 0 0 0 0 0 0 0 -0.9833 -1.4250 0.0000 C 0 0 0 0 0 0 0 0 0 5.4292 0.4708 0.0000 C 0 0 0 0 0 0 0 0 0 3.9917 0.4583 0.0000 C 0 0 0 0 0 0 0 0 0 4.7125 0.8833 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 1 1 0 0 0 5 1 2 0 0 0 6 1 2 0 0 0 7 2 1 0 0 0 8 3 2 0 0 0 9 3 1 0 0 0 10 4 1 0 0 0 11 2 1 0 0 0 12 17 1 0 0 0 13 7 1 0 0 0 14 9 1 0 0 0 15 10 2 0 0 0 16 10 1 0 0 0 17 16 2 0 0 0 18 15 1 0 0 0 19 12 1 0 0 0 20 13 1 0 0 0 21 13 2 0 0 0 22 19 1 0 0 0 23 21 1 0 0 0 24 20 2 0 0 0 25 23 2 0 0 0 12 18 2 0 0 0 24 25 1 0 0 0 M END > 8.22184874961636 > 8 $$$$ 11280715002D 1 1.00000 0.00000 0 28 29 0 0 0 999 V2000 5.5625 -6.8792 0.0000 S 0 0 3 0 0 0 0 0 0 5.0417 -6.5750 0.0000 N 0 0 3 0 0 0 0 0 0 7.1292 -4.7625 0.0000 N 0 3 0 0 0 0 0 0 0 7.6500 -8.0875 0.0000 N 0 3 0 0 0 0 0 0 0 4.5167 -6.8792 0.0000 C 0 0 0 0 0 0 0 0 0 3.9875 -6.5750 0.0000 C 0 0 0 0 0 0 0 0 0 6.0792 -7.1792 0.0000 C 0 0 0 0 0 0 0 0 0 5.2542 -7.4042 0.0000 O 0 0 0 0 0 0 0 0 0 5.8667 -6.3625 0.0000 O 0 0 0 0 0 0 0 0 0 7.1292 -7.7792 0.0000 C 0 0 0 0 0 0 0 0 0 6.6042 -5.0667 0.0000 C 0 0 0 0 0 0 0 0 0 7.6500 -5.0667 0.0000 O 0 5 0 0 0 0 0 0 0 7.6500 -8.6875 0.0000 O 0 5 0 0 0 0 0 0 0 5.0417 -5.9667 0.0000 C 0 0 0 0 0 0 0 0 0 7.1292 -4.1542 0.0000 O 0 0 0 0 0 0 0 0 0 8.1792 -7.7792 0.0000 O 0 0 0 0 0 0 0 0 0 3.4667 -6.8792 0.0000 O 0 0 0 0 0 0 0 0 0 3.9875 -5.9667 0.0000 N 0 0 0 0 0 0 0 0 0 6.6000 -6.8792 0.0000 C 0 0 0 0 0 0 0 0 0 6.0750 -7.7792 0.0000 C 0 0 0 0 0 0 0 0 0 6.6042 -8.0875 0.0000 C 0 0 0 0 0 0 0 0 0 7.1167 -7.1750 0.0000 C 0 0 0 0 0 0 0 0 0 6.6042 -5.6667 0.0000 C 0 0 0 0 0 0 0 0 0 6.0750 -4.7625 0.0000 C 0 0 0 0 0 0 0 0 0 5.5625 -5.6667 0.0000 C 0 0 0 0 0 0 0 0 0 6.0792 -5.9667 0.0000 C 0 0 0 0 0 0 0 0 0 5.5625 -5.0667 0.0000 C 0 0 0 0 0 0 0 0 0 3.4667 -5.6667 0.0000 O 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 11 1 0 0 0 4 10 1 0 0 0 5 2 1 0 0 0 6 5 1 0 0 0 7 1 1 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 21 2 0 0 0 11 24 1 0 0 0 12 3 1 0 0 0 13 4 1 0 0 0 14 2 1 0 0 0 15 3 2 0 0 0 16 4 2 0 0 0 17 6 2 0 0 0 18 6 1 0 0 0 19 7 1 0 0 0 20 7 2 0 0 0 21 20 1 0 0 0 22 19 2 0 0 0 23 26 1 0 0 0 24 27 2 0 0 0 25 14 1 0 0 0 26 25 2 0 0 0 27 25 1 0 0 0 28 18 1 0 0 0 22 10 1 0 0 0 23 11 2 0 0 0 M CHG 4 3 1 4 1 12 -1 13 -1 M END > 7.88605664769316 > 7.88605664769316 $$$$ CDK 9/16/09,10:8 35 37 0 0 0 0 0 0 0 0999 V2000 4.3114 -7.2382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3114 -8.0632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0239 -8.4736 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7365 -8.0632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7365 -7.2382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0239 -6.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0239 -9.2985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3090 -9.7089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7390 -9.7089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7333 -10.5339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7291 -11.3589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9083 -10.5290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5583 -10.5387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0239 -5.9987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7390 -5.5841 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3090 -5.5841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3090 -4.7591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5939 -5.9987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4498 -5.9945 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.1594 -6.4049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0398 -6.7097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8640 -5.2834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2499 -7.2181 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.0505 -7.3864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4609 -6.6768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9113 -6.0725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3893 -8.1401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9003 -8.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2358 -9.5557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0563 -9.6449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5401 -8.9765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2077 -8.2190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3881 -10.3998 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8997 -11.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2083 -10.4877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 16 18 1 0 0 0 0 7 9 1 0 0 0 0 15 19 1 0 0 0 0 2 3 1 0 0 0 0 19 20 1 0 0 0 0 9 10 1 0 0 0 0 19 21 2 0 0 0 0 3 4 1 0 0 0 0 19 22 2 0 0 0 0 20 23 1 0 0 0 0 10 11 1 0 0 0 0 4 5 1 0 0 0 0 10 12 1 0 0 0 0 5 6 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 20 2 0 0 0 0 10 13 1 0 0 0 0 24 27 1 0 0 0 0 27 28 2 0 0 0 0 14 6 1 6 0 0 0 3 7 1 0 0 0 0 14 15 1 0 0 0 0 1 2 1 0 0 0 0 27 32 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 14 16 1 0 0 0 0 30 33 1 0 0 0 0 7 8 2 0 0 0 0 33 34 1 0 0 0 0 16 17 2 0 0 0 0 33 35 1 0 0 0 0 M END > 9.52287874528034 > 5.47495519296316 $$$$ Mrv0541 04051115152D 27 28 0 0 0 0 999 V2000 -2.5779 2.5411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0476 1.9091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3331 1.4966 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3331 0.6716 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0476 0.2591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7620 0.6716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7620 1.4966 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.6186 0.2591 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.2061 0.9735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0311 -0.4554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0958 -0.1534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8103 0.2591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5248 -0.1534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5248 -0.9784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8103 -1.3909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0958 -0.9784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2393 -1.3909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2393 -2.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9537 -2.6284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6682 -3.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3827 -3.4534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3827 -4.2784 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6186 1.9091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0958 1.4966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6186 2.7341 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3331 3.1466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5173 2.5411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 27 2 1 0 0 0 0 3 4 1 0 0 0 0 3 23 1 6 0 0 0 5 4 1 0 0 0 0 4 8 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 9 8 2 0 0 0 0 10 8 2 0 0 0 0 11 8 1 0 0 0 0 11 12 1 0 0 0 0 16 11 2 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 15 14 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 18 17 1 0 0 0 0 18 19 1 0 0 0 0 19 20 3 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 M END > 8.09691001300806 > 7.01322826573375 $$$$ 11280715482D 1 1.00000 0.00000 0 24 25 0 0 0 999 V2000 3.3667 -1.1125 0.0000 S 0 0 3 0 0 0 0 0 0 2.5417 -1.1542 0.0000 N 0 0 3 0 0 0 0 0 0 2.1000 -0.4542 0.0000 C 0 0 3 0 0 0 0 0 0 2.4792 0.2750 0.0000 C 0 0 0 0 0 0 0 0 0 4.1917 -1.0750 0.0000 C 0 0 0 0 0 0 0 0 0 3.3667 -0.2875 0.0000 O 0 0 0 0 0 0 0 0 0 3.3667 -1.9375 0.0000 O 0 0 0 0 0 0 0 0 0 6.7375 -2.3792 0.0000 C 0 0 0 0 0 0 0 0 0 6.3167 -3.0917 0.0000 C 0 0 0 0 0 0 0 0 0 3.2750 0.4958 0.0000 O 0 0 0 0 0 0 0 0 0 0.9000 -1.2250 0.0000 S 0 0 0 0 0 0 0 0 0 2.1667 -1.8792 0.0000 C 0 0 0 0 0 0 0 0 0 1.9625 0.9208 0.0000 N 0 0 0 0 0 0 0 0 0 4.5750 -0.3417 0.0000 C 0 0 0 0 0 0 0 0 0 4.6375 -1.7667 0.0000 C 0 0 0 0 0 0 0 0 0 1.2792 -0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 5.8417 -0.9917 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 5.4625 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 2.2542 1.6875 0.0000 O 0 0 0 0 0 0 0 0 0 7.1167 -1.6417 0.0000 C 0 0 0 0 0 0 0 0 0 1.3417 -1.9167 0.0000 C 0 0 0 0 0 0 0 0 0 6.6667 -0.9542 0.0000 O 0 0 0 0 0 0 0 0 0 5.9042 -3.8042 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 1 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 21 1 0 0 0 9 8 3 0 0 0 10 4 2 0 0 0 11 22 1 0 0 0 12 2 1 0 0 0 13 4 1 0 0 0 14 5 2 0 0 0 15 5 1 0 0 0 16 3 1 0 0 0 17 19 1 0 0 0 18 14 1 0 0 0 19 15 2 0 0 0 20 13 1 0 0 0 21 23 1 0 0 0 22 12 1 0 0 0 23 17 1 0 0 0 24 9 1 0 0 0 17 18 2 0 0 0 16 11 1 0 0 0 M END > 7.92081875395237 > 6.82973828460504 $$$$ Mrv0541 04051115152D 24 25 0 0 0 0 999 V2000 -2.6555 -0.7965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9411 -0.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2266 -1.6215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3700 -0.3840 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0845 -0.7965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6555 -1.6215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2266 -0.7965 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5121 -0.3840 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5121 -2.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5121 -2.8590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0996 -1.0985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2024 0.0285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9246 0.3304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9168 -0.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6313 0.0285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6313 0.8535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9168 1.2660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2024 0.8535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3458 1.2660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3458 2.0910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0602 2.5035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7747 2.0910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7747 1.2660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0602 0.8535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 20 21 1 0 0 0 0 23 24 2 0 0 0 0 19 20 2 0 0 0 0 19 24 1 0 0 0 0 16 19 1 0 0 0 0 16 17 2 0 0 0 0 15 16 1 0 0 0 0 17 18 1 0 0 0 0 14 15 2 0 0 0 0 12 18 2 0 0 0 0 12 14 1 0 0 0 0 4 5 1 0 0 0 0 1 6 2 0 0 0 0 12 8 1 0 0 0 0 1 4 1 0 0 0 0 1 2 1 0 0 0 0 2 7 1 0 0 0 0 13 8 2 0 0 0 0 7 8 1 0 0 0 0 11 8 2 0 0 0 0 3 7 1 0 0 0 0 3 9 1 0 0 0 0 9 10 1 0 0 0 0 M END > 8.56863623584101 > 7.17392519729917 $$$$ 11280715292D 1 1.00000 0.00000 0 24 25 0 1 0 999 V2000 4.3667 -7.1917 0.0000 S 0 0 3 0 0 0 0 0 0 4.3542 -8.0167 0.0000 N 0 0 3 0 0 0 0 0 0 3.6042 -8.3667 0.0000 C 0 0 1 0 0 0 0 0 0 4.3667 -6.3667 0.0000 C 0 0 0 0 0 0 0 0 0 2.9750 -7.8500 0.0000 C 0 0 0 0 0 0 0 0 0 3.4167 -9.1792 0.0000 C 0 0 3 0 0 0 0 0 0 3.6417 -5.9625 0.0000 C 0 0 0 0 0 0 0 0 0 5.1917 -7.1917 0.0000 O 0 0 0 0 0 0 0 0 0 3.5417 -7.1792 0.0000 O 0 0 0 0 0 0 0 0 0 5.0792 -5.9417 0.0000 C 0 0 0 0 0 0 0 0 0 3.9667 -9.8500 0.0000 S 0 0 0 0 0 0 0 0 0 2.9667 -7.0250 0.0000 O 0 0 0 0 0 0 0 0 0 3.6375 -5.1375 0.0000 C 0 0 0 0 0 0 0 0 0 2.2292 -8.2000 0.0000 N 0 0 0 0 0 0 0 0 0 5.1042 -8.3875 0.0000 C 0 0 0 0 0 0 0 0 0 4.3500 -4.7042 0.0000 C 0 0 0 0 0 0 0 0 0 5.0667 -5.1167 0.0000 C 0 0 0 0 0 0 0 0 0 4.3417 -3.8792 0.0000 Br 0 0 0 0 0 0 0 0 0 1.5417 -7.7292 0.0000 O 0 0 0 0 0 0 0 0 0 5.2750 -9.1917 0.0000 C 0 0 0 0 0 0 0 0 0 4.7542 -9.8417 0.0000 C 0 0 0 0 0 0 0 0 0 2.9292 -6.3792 0.0000 C 0 0 0 0 0 0 0 0 0 2.8292 -9.7542 0.0000 C 0 0 0 0 0 0 0 0 0 2.6125 -8.9542 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 1 1 0 0 0 3 5 1 6 0 0 6 3 1 0 0 0 7 4 1 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 4 2 0 0 0 11 6 1 0 0 0 12 5 2 0 0 0 13 7 2 0 0 0 14 5 1 0 0 0 15 2 1 0 0 0 16 17 2 0 0 0 17 10 1 0 0 0 18 16 1 0 0 0 19 14 1 0 0 0 20 15 1 0 0 0 21 20 1 0 0 0 22 7 1 0 0 0 23 6 1 0 0 0 24 6 1 0 0 0 16 13 1 0 0 0 21 11 1 0 0 0 M END > 8.03621217265444 > 9.30102999566398 $$$$ 11280715002D 1 1.00000 0.00000 0 20 20 0 0 0 999 V2000 5.6917 -7.5125 0.0000 S 0 0 3 0 0 0 0 0 0 7.2542 -5.4125 0.0000 N 0 3 0 0 0 0 0 0 0 5.1792 -7.2125 0.0000 N 0 0 3 0 0 0 0 0 0 4.6542 -7.5125 0.0000 C 0 0 0 0 0 0 0 0 0 4.1292 -7.2125 0.0000 C 0 0 0 0 0 0 0 0 0 6.7375 -5.7125 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -8.0292 0.0000 O 0 0 0 0 0 0 0 0 0 6.0042 -6.9917 0.0000 O 0 0 0 0 0 0 0 0 0 7.7792 -5.7125 0.0000 O 0 5 0 0 0 0 0 0 0 7.2542 -4.8125 0.0000 O 0 0 0 0 0 0 0 0 0 5.1792 -6.6125 0.0000 C 0 0 0 0 0 0 0 0 0 3.6167 -7.5125 0.0000 O 0 0 0 0 0 0 0 0 0 4.1292 -6.6125 0.0000 N 0 0 0 0 0 0 0 0 0 6.2167 -5.4125 0.0000 C 0 0 0 0 0 0 0 0 0 6.7375 -6.3042 0.0000 C 0 0 0 0 0 0 0 0 0 6.2167 -7.8125 0.0000 C 0 0 0 0 0 0 0 0 0 5.6917 -6.3042 0.0000 C 0 0 0 0 0 0 0 0 0 6.2167 -6.6167 0.0000 C 0 0 0 0 0 0 0 0 0 5.6917 -5.7125 0.0000 C 0 0 0 0 0 0 0 0 0 3.6167 -6.3042 0.0000 O 0 0 0 0 0 0 0 0 0 2 6 1 0 0 0 3 1 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 6 14 1 0 0 0 7 1 2 0 0 0 8 1 2 0 0 0 9 2 1 0 0 0 10 2 2 0 0 0 11 3 1 0 0 0 12 5 2 0 0 0 13 5 1 0 0 0 14 19 2 0 0 0 15 18 1 0 0 0 16 1 1 0 0 0 17 11 1 0 0 0 18 17 2 0 0 0 19 17 1 0 0 0 20 13 1 0 0 0 15 6 2 0 0 0 M CHG 2 2 1 9 -1 M END > 7.06550154875643 > 7.1249387366083 $$$$ 11280715162D 1 1.00000 0.00000 0 29 31 0 0 0 999 V2000 3.6250 -1.5167 0.0000 S 0 0 3 0 0 0 0 0 0 2.9042 -1.1042 0.0000 N 0 0 3 0 0 0 0 0 0 2.1917 -1.5250 0.0000 C 0 0 0 0 0 0 0 0 0 1.4792 -1.1125 0.0000 C 0 0 0 0 0 0 0 0 0 2.1917 -2.3542 0.0000 C 0 0 0 0 0 0 0 0 0 1.4750 -0.2875 0.0000 C 0 0 0 0 0 0 0 0 0 2.9125 -3.5917 0.0000 N 0 0 3 0 0 0 0 0 0 4.3375 -1.9292 0.0000 C 0 0 0 0 0 0 0 0 0 2.9667 -4.9292 0.0000 N 0 0 0 0 0 0 0 0 0 3.6250 -2.3417 0.0000 O 0 0 0 0 0 0 0 0 0 4.3375 -1.1042 0.0000 O 0 0 0 0 0 0 0 0 0 2.9125 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 2.4667 -4.2750 0.0000 C 0 0 0 0 0 0 0 0 0 3.7250 -4.6417 0.0000 C 0 0 0 0 0 0 0 0 0 3.7042 -3.8167 0.0000 C 0 0 0 0 0 0 0 0 0 2.1917 0.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0.7625 0.1208 0.0000 N 0 0 0 0 0 0 0 0 0 4.3292 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 5.0417 -1.5167 0.0000 C 0 0 0 0 0 0 0 0 0 2.9042 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0.7667 -1.5250 0.0000 C 0 0 0 0 0 0 0 0 0 1.4792 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 5.7542 -2.7417 0.0000 C 0 0 0 0 0 0 0 0 0 5.7542 -1.9167 0.0000 C 0 0 0 0 0 0 0 0 0 5.0417 -3.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0.7542 0.9458 0.0000 O 0 0 0 0 0 0 0 0 0 6.4667 -3.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0.7667 -2.3542 0.0000 C 0 0 0 0 0 0 0 0 0 7.1792 -2.7375 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 2 0 0 0 5 3 1 0 0 0 6 4 1 0 0 0 7 12 1 0 0 0 8 1 1 0 0 0 9 13 2 0 0 0 10 1 2 0 0 0 11 1 2 0 0 0 12 5 1 0 0 0 13 7 1 0 0 0 14 15 2 0 0 0 15 7 1 0 0 0 16 6 2 0 0 0 17 6 1 0 0 0 18 8 2 0 0 0 19 8 1 0 0 0 20 2 1 0 0 0 21 4 1 0 0 0 22 5 2 0 0 0 23 24 1 0 0 0 24 19 2 0 0 0 25 18 1 0 0 0 26 17 1 0 0 0 27 23 1 0 0 0 28 22 1 0 0 0 29 27 1 0 0 0 23 25 2 0 0 0 28 21 2 0 0 0 14 9 1 0 0 0 M END > 7.36653154442041 > 6.1073489661227 $$$$ 11280715332D 1 1.00000 0.00000 0 29 30 0 1 0 999 V2000 5.8167 -2.4750 0.0000 S 0 0 3 0 0 0 0 0 0 6.1042 -3.2542 0.0000 N 0 0 3 0 0 0 0 0 0 5.5792 -3.8875 0.0000 C 0 0 1 0 0 0 0 0 0 4.7542 -3.8417 0.0000 C 0 0 0 0 0 0 0 0 0 6.8667 -3.5625 0.0000 C 0 0 0 0 0 0 0 0 0 6.8125 -4.3792 0.0000 C 0 0 0 0 0 0 0 0 0 6.0167 -4.5792 0.0000 C 0 0 0 0 0 0 0 0 0 6.6000 -2.1875 0.0000 C 0 0 0 0 0 0 0 0 0 5.5292 -1.6917 0.0000 O 0 0 0 0 0 0 0 0 0 5.0417 -2.7625 0.0000 O 0 0 0 0 0 0 0 0 0 7.4375 -4.9250 0.0000 N 0 0 0 0 0 0 0 0 0 4.3792 -3.1042 0.0000 O 0 0 0 0 0 0 0 0 0 4.3000 -4.5375 0.0000 N 0 0 0 0 0 0 0 0 0 7.2292 -2.7125 0.0000 C 0 0 0 0 0 0 0 0 0 6.7417 -1.3750 0.0000 C 0 0 0 0 0 0 0 0 0 8.2125 -4.6542 0.0000 O 0 0 0 0 0 0 0 0 0 8.1417 -1.6167 0.0000 C 0 0 0 0 0 0 0 0 0 7.5125 -1.0917 0.0000 C 0 0 0 0 0 0 0 0 0 8.0000 -2.4292 0.0000 C 0 0 0 0 0 0 0 0 0 3.4750 -4.4917 0.0000 O 0 0 0 0 0 0 0 0 0 8.9292 -1.3375 0.0000 O 0 0 0 0 0 0 0 0 0 8.8417 -5.1917 0.0000 C 0 0 0 0 0 0 0 0 0 9.6167 -4.9167 0.0000 C 0 0 3 0 0 0 0 0 0 9.5625 -1.8667 0.0000 C 0 0 0 0 0 0 0 0 0 10.3292 -1.5917 0.0000 C 0 0 0 0 0 0 0 0 0 10.9667 -2.1250 0.0000 C 0 0 0 0 0 0 0 0 0 10.2417 -5.4500 0.0000 C 0 0 0 0 0 0 0 0 0 9.7667 -4.1042 0.0000 C 0 0 0 0 0 0 0 0 0 11.7375 -1.8500 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 2 1 0 0 0 6 5 1 0 0 0 3 7 1 6 0 0 8 1 1 0 0 0 9 1 2 0 0 0 10 1 2 0 0 0 11 6 2 0 0 0 12 4 2 0 0 0 13 4 1 0 0 0 14 8 2 0 0 0 15 8 1 0 0 0 16 11 1 0 0 0 17 18 1 0 0 0 18 15 2 0 0 0 19 14 1 0 0 0 20 13 1 0 0 0 21 17 1 0 0 0 22 16 1 0 0 0 23 22 1 0 0 0 24 21 1 0 0 0 25 24 1 0 0 0 26 25 1 0 0 0 27 23 1 0 0 0 28 23 1 0 0 0 29 26 1 0 0 0 17 19 2 0 0 0 6 7 1 0 0 0 M END > 10 > 7.1249387366083 $$$$ 11280715082D 1 1.00000 0.00000 0 22 22 0 0 0 999 V2000 2.9167 -2.4500 0.0000 S 0 0 3 0 0 0 0 0 0 3.6292 -2.0292 0.0000 C 0 0 3 0 0 0 0 0 0 4.3417 -2.4375 0.0000 C 0 0 0 0 0 0 0 0 0 2.9042 -1.6292 0.0000 C 0 0 0 0 0 0 0 0 0 2.0917 -2.4792 0.0000 C 0 0 0 0 0 0 0 0 0 2.3292 -3.0292 0.0000 O 0 0 0 0 0 0 0 0 0 3.5000 -3.0292 0.0000 O 0 0 0 0 0 0 0 0 0 2.9042 -0.8042 0.0000 C 0 0 0 0 0 0 0 0 0 4.3542 -3.2625 0.0000 O 0 0 0 0 0 0 0 0 0 5.0542 -2.0167 0.0000 N 0 0 0 0 0 0 0 0 0 2.1875 -0.3917 0.0000 C 0 0 0 0 0 0 0 0 0 1.6500 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 1.7042 -3.2125 0.0000 C 0 0 0 0 0 0 0 0 0 4.3417 -1.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0.4417 -2.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0.8792 -3.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0.8167 -1.8167 0.0000 C 0 0 0 0 0 0 0 0 0 5.7750 -2.4167 0.0000 O 0 0 0 0 0 0 0 0 0 -0.3833 -2.5792 0.0000 O 0 0 0 0 0 0 0 0 0 2.1792 0.4333 0.0000 C 0 0 0 0 0 0 0 0 0 1.4750 -0.8125 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7708 -3.3167 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 2 1 0 0 0 5 1 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 4 1 0 0 0 9 3 2 0 0 0 10 3 1 0 0 0 11 8 2 0 0 0 12 5 2 0 0 0 13 5 1 0 0 0 14 2 1 0 0 0 15 16 1 0 0 0 16 13 2 0 0 0 17 12 1 0 0 0 18 10 1 0 0 0 19 15 1 0 0 0 20 11 1 0 0 0 21 11 1 0 0 0 22 19 1 0 0 0 15 17 2 0 0 0 M END > 7.85387196432176 > 6.62160209905186 $$$$ 11280715242D 1 1.00000 0.00000 0 22 23 0 0 0 999 V2000 4.8750 -2.3375 0.0000 S 0 0 3 0 0 0 0 0 0 4.8750 -2.9375 0.0000 N 0 0 3 0 0 0 0 0 0 4.3625 -3.2375 0.0000 C 0 0 3 0 0 0 0 0 0 3.8417 -2.9375 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -3.2375 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -2.0292 0.0000 C 0 0 0 0 0 0 0 0 0 4.3625 -3.8375 0.0000 C 0 0 0 0 0 0 0 0 0 4.3250 -1.9500 0.0000 O 0 0 0 0 0 0 0 0 0 5.5875 -2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 4.8750 -4.1292 0.0000 N 0 0 3 0 0 0 0 0 0 3.8375 -2.3375 0.0000 O 0 0 0 0 0 0 0 0 0 3.3167 -3.2375 0.0000 N 0 0 0 0 0 0 0 0 0 5.3917 -3.8375 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -1.4375 0.0000 C 0 0 0 0 0 0 0 0 0 5.9125 -2.3292 0.0000 C 0 0 0 0 0 0 0 0 0 6.4292 -1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 6.4292 -2.0292 0.0000 C 0 0 0 0 0 0 0 0 0 5.9042 -1.1292 0.0000 C 0 0 0 0 0 0 0 0 0 2.8000 -2.9375 0.0000 O 0 0 0 0 0 0 0 0 0 6.9500 -1.1292 0.0000 O 0 0 0 0 0 0 0 0 0 4.8750 -4.7375 0.0000 C 0 0 0 0 0 0 0 0 0 7.4667 -1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 2 1 0 0 0 6 1 1 0 0 0 7 3 1 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 13 1 0 0 0 11 4 2 0 0 0 12 4 1 0 0 0 13 5 1 0 0 0 14 6 1 0 0 0 15 6 2 0 0 0 16 17 2 0 0 0 17 15 1 0 0 0 18 14 2 0 0 0 19 12 1 0 0 0 20 16 1 0 0 0 21 10 1 0 0 0 22 20 1 0 0 0 18 16 1 0 0 0 10 7 1 0 0 0 M END > 7.67778070526608 > 5.89962945488244 $$$$ 11280714592D 1 1.00000 0.00000 0 27 28 0 0 0 999 V2000 5.7000 -6.8792 0.0000 S 0 0 3 0 0 0 0 0 0 6.2167 -7.1750 0.0000 C 0 0 0 0 0 0 0 0 0 5.1750 -6.5750 0.0000 N 0 0 3 0 0 0 0 0 0 7.2625 -4.7625 0.0000 N 0 3 0 0 0 0 0 0 0 4.6542 -6.8792 0.0000 C 0 0 0 0 0 0 0 0 0 4.1292 -6.5750 0.0000 C 0 0 0 0 0 0 0 0 0 6.2167 -7.7792 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -7.3917 0.0000 O 0 0 0 0 0 0 0 0 0 6.0042 -6.3542 0.0000 O 0 0 0 0 0 0 0 0 0 6.7292 -6.8750 0.0000 C 0 0 0 0 0 0 0 0 0 6.7500 -5.0667 0.0000 C 0 0 0 0 0 0 0 0 0 7.7917 -5.0667 0.0000 O 0 5 0 0 0 0 0 0 0 5.1750 -5.9667 0.0000 C 0 0 0 0 0 0 0 0 0 7.2625 -4.1542 0.0000 O 0 0 0 0 0 0 0 0 0 3.6042 -6.8792 0.0000 O 0 0 0 0 0 0 0 0 0 4.1292 -5.9667 0.0000 N 0 0 0 0 0 0 0 0 0 6.7500 -5.6667 0.0000 C 0 0 0 0 0 0 0 0 0 6.2167 -4.7625 0.0000 C 0 0 0 0 0 0 0 0 0 7.2625 -7.1667 0.0000 C 0 0 0 0 0 0 0 0 0 6.7417 -8.0792 0.0000 C 0 0 0 0 0 0 0 0 0 5.7000 -5.6667 0.0000 C 0 0 0 0 0 0 0 0 0 6.7292 -6.2667 0.0000 Cl 0 0 0 0 0 0 0 0 0 7.2625 -7.7792 0.0000 C 0 0 0 0 0 0 0 0 0 6.2167 -5.9667 0.0000 C 0 0 0 0 0 0 0 0 0 5.7000 -5.0667 0.0000 C 0 0 0 0 0 0 0 0 0 6.7417 -8.6875 0.0000 Cl 0 0 0 0 0 0 0 0 0 3.6042 -5.6667 0.0000 O 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 11 1 0 0 0 5 3 1 0 0 0 6 5 1 0 0 0 7 2 2 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 2 1 0 0 0 11 18 1 0 0 0 12 4 1 0 0 0 13 3 1 0 0 0 14 4 2 0 0 0 15 6 2 0 0 0 16 6 1 0 0 0 17 24 1 0 0 0 18 25 2 0 0 0 19 10 2 0 0 0 20 7 1 0 0 0 21 13 1 0 0 0 22 10 1 0 0 0 23 19 1 0 0 0 24 21 2 0 0 0 25 21 1 0 0 0 26 20 1 0 0 0 27 16 1 0 0 0 20 23 2 0 0 0 17 11 2 0 0 0 M CHG 2 4 1 12 -1 M END > 7.79588001734407 > 8.04575749056067 $$$$ 11280715132D 1 1.00000 0.00000 0 32 34 0 0 0 999 V2000 2.7000 0.4208 0.0000 S 0 0 3 0 0 0 0 0 0 1.2667 0.4083 0.0000 C 0 0 3 0 0 0 0 0 0 1.9750 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0.5417 0.8125 0.0000 C 0 0 0 0 0 0 0 0 0 3.4917 0.6458 0.0000 C 0 0 0 0 0 0 0 0 0 2.4917 -0.3792 0.0000 O 0 0 0 0 0 0 0 0 0 2.8917 1.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0.5375 1.6375 0.0000 O 0 0 0 0 0 0 0 0 0 1.2750 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 -0.1625 0.3958 0.0000 N 0 0 0 0 0 0 0 0 0 4.0875 0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 3.7000 1.4458 0.0000 C 0 0 0 0 0 0 0 0 0 5.8792 1.3250 0.0000 O 0 0 0 0 0 0 0 0 0 5.0792 1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0.5500 -0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 4.4917 1.6708 0.0000 C 0 0 0 0 0 0 0 0 0 4.8792 0.2958 0.0000 C 0 0 0 0 0 0 0 0 0 6.4667 0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8833 0.7958 0.0000 O 0 0 0 0 0 0 0 0 0 0.5542 -0.8167 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1708 -2.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0.5417 -1.6417 0.0000 C 0 0 0 0 0 0 0 0 0 6.2667 -0.0417 0.0000 C 0 0 0 0 0 0 0 0 0 7.2542 0.9833 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8833 -1.6250 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1833 -2.8667 0.0000 C 0 0 0 0 0 0 0 0 0 7.8542 0.4208 0.0000 C 0 0 0 0 0 0 0 0 0 -1.6000 -2.0292 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8958 -3.2750 0.0000 C 0 0 0 0 0 0 0 0 0 6.8625 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 7.6542 -0.3917 0.0000 C 0 0 0 0 0 0 0 0 0 -1.6083 -2.8542 0.0000 C 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 3 1 1 0 0 0 4 2 1 0 0 0 5 1 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 4 2 0 0 0 9 2 1 0 0 0 10 4 1 0 0 0 11 5 1 0 0 0 12 5 2 0 0 0 13 14 1 0 0 0 14 16 2 0 0 0 15 2 1 0 0 0 16 12 1 0 0 0 17 11 2 0 0 0 18 13 1 0 0 0 19 10 1 0 0 0 20 9 1 0 0 0 21 22 1 0 0 0 22 20 1 0 0 0 23 18 2 0 0 0 24 18 1 0 0 0 25 21 2 0 0 0 26 21 1 0 0 0 27 24 2 0 0 0 28 25 1 0 0 0 29 26 2 0 0 0 30 23 1 0 0 0 31 27 1 0 0 0 32 29 1 0 0 0 17 14 1 0 0 0 30 31 2 0 0 0 28 32 2 0 0 0 M END > 8.61978875828839 > 5.61978875828839 $$$$ 11280715202D 1 1.00000 0.00000 0 29 31 0 0 0 999 V2000 -1.5625 1.5625 0.0000 S 0 0 3 0 0 0 0 0 0 -2.9958 1.5750 0.0000 C 0 0 3 0 0 0 0 0 0 -2.2833 1.9875 0.0000 N 0 0 0 0 0 0 0 0 0 -3.7125 1.9875 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8458 1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1375 2.2833 0.0000 O 0 0 0 0 0 0 0 0 0 -1.9875 0.8458 0.0000 O 0 0 0 0 0 0 0 0 0 -3.7125 2.8208 0.0000 O 0 0 0 0 0 0 0 0 0 -4.4250 1.5750 0.0000 N 0 0 0 0 0 0 0 0 0 -3.7208 1.1583 0.0000 C 0 0 0 0 0 0 0 0 0 -2.2833 1.1583 0.0000 C 0 0 0 0 0 0 0 0 0 -3.0000 -0.0875 0.0000 O 0 0 0 0 0 0 0 0 0 -0.1333 1.5500 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8458 0.3083 0.0000 C 0 0 0 0 0 0 0 0 0 1.3042 -0.1042 0.0000 O 0 0 0 0 0 0 0 0 0 0.5875 0.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0.5792 -2.1667 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1375 -2.5792 0.0000 C 0 0 0 0 0 0 0 0 0 1.3000 -0.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0.5792 -1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0.5875 1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1333 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1458 -3.4042 0.0000 F 0 0 0 0 0 0 0 0 0 -4.4250 0.7458 0.0000 O 0 0 0 0 0 0 0 0 0 -2.2833 0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 -3.7208 0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8583 -1.3292 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8583 -2.1625 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1333 -0.9167 0.0000 C 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 3 1 1 0 0 0 4 2 1 0 0 0 5 1 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 4 2 0 0 0 9 4 1 0 0 0 10 2 1 0 0 0 11 2 1 0 0 0 12 25 1 0 0 0 13 5 1 0 0 0 14 5 2 0 0 0 15 16 1 0 0 0 16 22 2 0 0 0 17 20 1 0 0 0 18 17 2 0 0 0 19 15 1 0 0 0 20 19 1 0 0 0 21 13 2 0 0 0 22 14 1 0 0 0 23 18 1 0 0 0 24 9 1 0 0 0 25 11 1 0 0 0 26 10 1 0 0 0 27 29 1 0 0 0 28 27 2 0 0 0 29 20 2 0 0 0 16 21 1 0 0 0 12 26 1 0 0 0 28 18 1 0 0 0 M END > 7.61978875828839 > 5.05551732784983 $$$$ 11280715082D 1 1.00000 0.00000 0 31 33 0 0 0 999 V2000 6.5500 -5.0000 0.0000 S 0 0 3 0 0 0 0 0 0 5.7625 -5.0042 0.0000 N 0 0 3 0 0 0 0 0 0 5.4625 -5.5250 0.0000 C 0 0 0 0 0 0 0 0 0 4.8625 -5.5250 0.0000 C 0 0 0 0 0 0 0 0 0 4.5542 -5.0042 0.0000 C 0 0 0 0 0 0 0 0 0 7.1500 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 6.5167 -4.3417 0.0000 O 0 0 0 0 0 0 0 0 0 6.8042 -5.6542 0.0000 O 0 0 0 0 0 0 0 0 0 5.4542 -4.4792 0.0000 C 0 0 0 0 0 0 0 0 0 5.7625 -6.0417 0.0000 C 0 0 0 0 0 0 0 0 0 4.8917 -4.3417 0.0000 O 0 0 0 0 0 0 0 0 0 3.9542 -5.0042 0.0000 N 0 0 0 0 0 0 0 0 0 7.4417 -5.5167 0.0000 C 0 0 0 0 0 0 0 0 0 7.4417 -4.4792 0.0000 C 0 0 0 0 0 0 0 0 0 4.5667 -6.0417 0.0000 C 0 0 0 0 0 0 0 0 0 8.3417 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 5.7542 -3.9625 0.0000 C 0 0 0 0 0 0 0 0 0 8.0417 -4.4792 0.0000 C 0 0 0 0 0 0 0 0 0 8.0417 -5.5167 0.0000 C 0 0 0 0 0 0 0 0 0 6.3042 -6.0292 0.0000 O 0 0 0 0 0 0 0 0 0 3.6125 -4.3125 0.0000 O 0 0 0 0 0 0 0 0 0 8.9417 -5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 4.8625 -6.5542 0.0000 C 0 0 0 0 0 0 0 0 0 5.4625 -6.5542 0.0000 C 0 0 0 0 0 0 0 0 0 6.3542 -3.9625 0.0000 C 0 0 0 0 0 0 0 0 0 5.4542 -3.4500 0.0000 C 0 0 0 0 0 0 0 0 0 6.5875 -6.4875 0.0000 C 0 0 0 0 0 0 0 0 0 9.2417 -5.5167 0.0000 C 0 0 0 0 0 0 0 0 0 5.7542 -2.9292 0.0000 C 0 0 0 0 0 0 0 0 0 6.6542 -3.4417 0.0000 C 0 0 0 0 0 0 0 0 0 6.3542 -2.9250 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 6 1 1 0 0 0 7 1 2 0 0 0 8 1 2 0 0 0 9 2 1 0 0 0 10 3 2 0 0 0 11 5 2 0 0 0 12 5 1 0 0 0 13 6 2 0 0 0 14 6 1 0 0 0 15 4 2 0 0 0 16 18 1 0 0 0 17 9 1 0 0 0 18 14 2 0 0 0 19 13 1 0 0 0 20 10 1 0 0 0 21 12 1 0 0 0 22 16 1 0 0 0 23 24 2 0 0 0 24 10 1 0 0 0 25 17 2 0 0 0 26 17 1 0 0 0 27 20 1 0 0 0 28 22 1 0 0 0 29 26 2 0 0 0 30 25 1 0 0 0 31 29 1 0 0 0 16 19 2 0 0 0 23 15 1 0 0 0 31 30 2 0 0 0 M END > 6.86012091359876 > 6.2839966563652 $$$$ 11280715232D 1 1.00000 0.00000 0 27 28 0 0 0 999 V2000 5.1125 -3.0667 0.0000 S 0 0 3 0 0 0 0 0 0 5.8292 -3.4542 0.0000 C 0 0 0 0 0 0 0 0 0 5.8417 -4.2750 0.0000 C 0 0 0 0 0 0 0 0 0 6.5167 -3.0375 0.0000 C 0 0 0 0 0 0 0 0 0 4.4167 -2.6625 0.0000 N 0 0 3 0 0 0 0 0 0 7.2292 -3.4167 0.0000 C 0 0 0 0 0 0 0 0 0 6.5625 -4.6625 0.0000 C 0 0 0 0 0 0 0 0 0 7.2542 -4.2417 0.0000 C 0 0 0 0 0 0 0 0 0 3.7042 -3.0667 0.0000 C 0 0 0 0 0 0 0 0 0 3.0042 -2.6625 0.0000 C 0 0 0 0 0 0 0 0 0 5.8167 -2.3417 0.0000 O 0 0 0 0 0 0 0 0 0 4.3750 -3.7792 0.0000 O 0 0 0 0 0 0 0 0 0 4.4167 -1.8500 0.0000 C 0 0 0 0 0 0 0 0 0 6.5000 -2.2167 0.0000 F 0 0 0 0 0 0 0 0 0 5.1417 -4.6917 0.0000 F 0 0 0 0 0 0 0 0 0 2.2917 -3.0667 0.0000 O 0 0 0 0 0 0 0 0 0 6.5792 -5.4792 0.0000 F 0 0 0 0 0 0 0 0 0 7.9250 -2.9917 0.0000 F 0 0 0 0 0 0 0 0 0 7.9667 -4.6292 0.0000 F 0 0 0 0 0 0 0 0 0 3.0042 -1.8500 0.0000 N 0 0 0 0 0 0 0 0 0 5.1125 -1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 2.2917 -1.4417 0.0000 O 0 0 0 0 0 0 0 0 0 5.1125 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 5.8250 -1.8500 0.0000 C 0 0 0 0 0 0 0 0 0 6.5292 -1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 5.8167 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 6.5292 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 2 0 0 0 4 2 1 0 0 0 5 1 1 0 0 0 6 4 2 0 0 0 7 3 1 0 0 0 8 6 1 0 0 0 9 5 1 0 0 0 10 9 1 0 0 0 11 1 2 0 0 0 12 1 2 0 0 0 13 5 1 0 0 0 14 4 1 0 0 0 15 3 1 0 0 0 16 10 2 0 0 0 17 7 1 0 0 0 18 6 1 0 0 0 19 8 1 0 0 0 20 10 1 0 0 0 21 13 1 0 0 0 22 20 1 0 0 0 23 21 1 0 0 0 24 21 2 0 0 0 25 24 1 0 0 0 26 23 2 0 0 0 27 25 2 0 0 0 7 8 2 0 0 0 27 26 1 0 0 0 M END > 8.22184874961636 > 8.22184874961636 $$$$ 11280715082D 1 1.00000 0.00000 0 30 32 0 0 0 999 V2000 1.8875 -2.3875 0.0000 C 0 0 3 0 0 0 0 0 0 1.1750 -2.8042 0.0000 S 0 0 3 0 0 0 0 0 0 2.6042 -2.7875 0.0000 C 0 0 0 0 0 0 0 0 0 1.1792 -1.9792 0.0000 C 0 0 0 0 0 0 0 0 0 2.6000 -1.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0.4542 -2.3917 0.0000 C 0 0 0 0 0 0 0 0 0 1.8875 -0.7375 0.0000 N 0 0 3 0 0 0 0 0 0 1.7542 -3.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0.5875 -3.3875 0.0000 O 0 0 0 0 0 0 0 0 0 3.3167 1.7333 0.0000 C 0 0 0 0 0 0 0 0 0 4.0292 1.3208 0.0000 C 0 0 0 0 0 0 0 0 0 2.6167 -3.6125 0.0000 O 0 0 0 0 0 0 0 0 0 2.6042 1.3208 0.0000 C 0 0 0 0 0 0 0 0 0 3.3167 -2.3667 0.0000 N 0 0 0 0 0 0 0 0 0 2.6042 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 1.1792 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 2.6000 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 1.8875 0.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0.4542 -1.5625 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2583 -2.8042 0.0000 C 0 0 0 0 0 0 0 0 0 4.0292 0.4958 0.0000 C 0 0 0 0 0 0 0 0 0 3.3125 2.5583 0.0000 Cl 0 0 0 0 0 0 0 0 0 3.3167 0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 4.7500 1.7333 0.0000 Cl 0 0 0 0 0 0 0 0 0 -0.9708 -1.5625 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2583 -1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 -0.9708 -2.3917 0.0000 C 0 0 0 0 0 0 0 0 0 4.0375 -2.7667 0.0000 O 0 0 0 0 0 0 0 0 0 -1.6875 -1.1500 0.0000 O 0 0 0 0 0 0 0 0 0 -2.4000 -1.5625 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 1 1 0 0 0 5 1 1 0 0 0 6 2 1 0 0 0 7 17 1 0 0 0 8 2 2 0 0 0 9 2 2 0 0 0 10 13 2 0 0 0 11 21 2 0 0 0 12 3 2 0 0 0 13 15 1 0 0 0 14 3 1 0 0 0 15 18 1 0 0 0 16 4 1 0 0 0 17 5 1 0 0 0 18 7 1 0 0 0 19 6 1 0 0 0 20 6 2 0 0 0 21 23 1 0 0 0 22 10 1 0 0 0 23 15 2 0 0 0 24 11 1 0 0 0 25 27 2 0 0 0 26 19 2 0 0 0 27 20 1 0 0 0 28 14 1 0 0 0 29 25 1 0 0 0 30 29 1 0 0 0 16 7 1 0 0 0 26 25 1 0 0 0 10 11 1 0 0 0 M END > 8.69897000433602 > 6.34678748622466 $$$$ SciTegic01161211242D 23 23 0 0 0 0 999 V2000 3.1503 -0.7190 0.0000 S 0 0 1.6852 -0.3846 0.0000 N 0 0 1.3514 1.0778 0.0000 C 0 0 2.5244 2.0171 0.0000 C 0 0 3.5936 -2.1529 0.0000 C 0 0 3.9663 0.1609 0.0000 O 0 0 2.7964 0.4276 0.0000 O 0 0 3.6423 1.5807 0.0000 O 0 0 -1.3515 1.0777 0.0000 N 0 0 2.2987 3.5009 0.0000 N 0 0 5.0562 -2.4858 0.0000 C 0 0 2.5741 -3.2531 0.0000 C 0 0 0.0000 1.7286 0.0000 C 0 0 0.7500 -1.5574 0.0000 C 0 0 4.4797 -5.0191 0.0000 C 0 0 3.0171 -4.6862 0.0000 C 0 0 5.4993 -3.9188 0.0000 C 0 0 11.2000 1.1429 0.0000 Cl 0 0 3.2353 4.2510 0.0000 O 0 0 -0.7500 -1.5574 0.0000 C 0 0 4.9259 -6.4520 0.0000 O 0 0 -1.6852 -0.3847 0.0000 C 0 0 6.0964 -6.7166 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 4 1 0 1 5 1 0 1 6 2 0 1 7 2 0 4 8 2 0 4 10 1 0 5 11 1 0 5 12 2 0 3 13 1 0 9 13 1 0 2 14 1 0 12 16 1 0 15 16 2 0 11 17 2 0 15 17 1 0 10 19 1 0 14 20 1 0 15 21 1 0 9 22 1 0 20 22 1 0 21 23 1 0 M END > 8.29242982390206 > 7.04095860767891 $$$$ SciTegic01161211252D 25 28 0 0 0 0 999 V2000 -3.5639 -17.6166 0.0000 C 0 0 -3.5651 -18.4440 0.0000 C 0 0 -2.8503 -18.8569 0.0000 C 0 0 -2.8521 -17.2039 0.0000 C 0 0 -2.1367 -17.6130 0.0000 C 0 0 -2.1364 -18.4440 0.0000 C 0 0 -1.3460 -18.7006 0.0000 N 0 0 -0.8576 -18.0281 0.0000 N 0 0 -1.3464 -17.3560 0.0000 C 0 0 -0.9268 -16.6467 0.0000 C 0 0 -0.1019 -16.6555 0.0000 C 0 0 0.3182 -15.9455 0.0000 C 0 0 1.1404 -15.9586 0.0000 C 0 0 1.5604 -15.2494 0.0000 C 0 0 1.1555 -14.5295 0.0000 C 0 0 0.3263 -14.5234 0.0000 C 0 0 -0.0900 -15.2332 0.0000 C 0 0 -4.2799 -18.8559 0.0000 N 0 0 -5.0306 -18.5231 0.0000 C 0 0 -5.5831 -19.1358 0.0000 C 0 0 -5.1711 -19.8506 0.0000 C 0 0 -4.3641 -19.6796 0.0000 C 0 0 -4.2792 -17.2045 0.0000 N 0 3 -4.9936 -17.6172 0.0000 O 0 0 -4.2794 -16.3795 0.0000 O 0 5 11 12 1 0 2 3 1 0 12 13 2 0 3 6 2 0 13 14 1 0 1 2 2 0 14 15 2 0 5 4 2 0 15 16 1 0 6 7 1 0 16 17 2 0 17 12 1 0 7 8 1 0 2 18 1 0 18 19 1 0 8 9 2 0 9 5 1 0 4 1 1 0 9 10 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 18 1 0 5 6 1 0 10 11 2 0 23 24 2 0 23 25 1 0 1 23 1 0 M CHG 2 23 1 25 -1 M END > > $$$$ 11280715252D 1 1.00000 0.00000 0 33 37 0 1 0 999 V2000 -1.2083 -8.7542 0.0000 N 0 0 3 0 0 0 0 0 0 -0.4208 -9.0000 0.0000 C 0 0 0 0 0 0 0 0 0 -0.4125 -9.8250 0.0000 N 0 0 3 0 0 0 0 0 0 -1.1958 -10.0792 0.0000 N 0 0 0 0 0 0 0 0 0 -1.6833 -9.4167 0.0000 C 0 0 0 0 0 0 0 0 0 1.7042 -10.5417 0.0000 C 0 0 2 0 0 0 0 0 0 2.3792 -10.0625 0.0000 C 0 0 1 0 0 0 0 0 0 1.0417 -10.0542 0.0000 C 0 0 2 0 0 0 0 0 0 0.2542 -10.3042 0.0000 C 0 0 0 0 0 0 0 0 0 1.7000 -11.3667 0.0000 C 0 0 0 0 0 0 0 0 0 3.1542 -10.3250 0.0000 S 0 0 0 0 0 0 0 0 0 -1.5458 -8.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0.2417 -8.5042 0.0000 O 0 0 0 0 0 0 0 0 0 -2.4958 -9.3417 0.0000 C 0 0 0 0 0 0 0 0 0 2.1292 -9.2750 0.0000 C 0 0 0 0 0 0 0 0 0 1.3000 -9.2667 0.0000 C 0 0 0 0 0 0 0 0 0 5.0125 -8.6792 0.0000 C 0 0 0 0 0 0 0 0 0 5.6250 -8.1375 0.0000 C 0 0 0 0 0 0 0 0 0 2.4125 -11.7875 0.0000 O 0 0 0 0 0 0 0 0 0 -2.3583 -7.9250 0.0000 C 0 0 0 0 0 0 0 0 0 -2.8375 -8.5917 0.0000 C 0 0 0 0 0 0 0 0 0 3.7792 -9.7750 0.0000 C 0 0 0 0 0 0 0 0 0 5.4542 -7.3292 0.0000 C 0 0 0 0 0 0 0 0 0 4.2250 -8.4250 0.0000 C 0 0 0 0 0 0 0 0 0 5.1750 -9.4917 0.0000 C 0 0 0 0 0 0 0 0 0 6.4042 -8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0.9792 -11.7792 0.0000 O 0 0 0 0 0 0 0 0 0 6.8542 -7.0417 0.0000 C 0 0 0 0 0 0 0 0 0 4.5542 -10.0417 0.0000 C 0 0 0 0 0 0 0 0 0 3.6042 -8.9750 0.0000 C 0 0 0 0 0 0 0 0 0 6.0667 -6.7792 0.0000 C 0 0 0 0 0 0 0 0 0 7.0250 -7.8500 0.0000 C 0 0 0 0 0 0 0 0 0 7.4750 -6.4917 0.0000 Cl 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 5 2 0 0 0 5 1 1 0 0 0 6 8 1 0 0 0 7 6 1 0 0 0 8 9 1 6 0 0 9 3 1 0 0 0 6 10 1 1 0 0 7 11 1 6 0 0 12 1 1 0 0 0 13 2 2 0 0 0 14 5 1 0 0 0 15 16 1 0 0 0 16 8 1 0 0 0 17 24 1 0 0 0 18 17 1 0 0 0 19 10 2 0 0 0 20 12 2 0 0 0 21 20 1 0 0 0 22 11 1 0 0 0 23 18 1 0 0 0 24 30 2 0 0 0 25 29 1 0 0 0 26 18 2 0 0 0 27 10 1 0 0 0 28 32 2 0 0 0 29 22 2 0 0 0 30 22 1 0 0 0 31 23 2 0 0 0 32 26 1 0 0 0 33 28 1 0 0 0 4 3 1 0 0 0 21 14 2 0 0 0 7 15 1 0 0 0 25 17 2 0 0 0 28 31 1 0 0 0 M END > 7.49485002168009 > 5 $$$$ 11280715082D 1 1.00000 0.00000 0 33 35 0 0 0 999 V2000 4.4375 -1.4792 0.0000 C 0 0 3 0 0 0 0 0 0 3.7250 -1.8917 0.0000 S 0 0 3 0 0 0 0 0 0 5.1542 -1.8792 0.0000 C 0 0 0 0 0 0 0 0 0 3.7292 -1.0667 0.0000 C 0 0 0 0 0 0 0 0 0 5.1500 -1.0667 0.0000 C 0 0 0 0 0 0 0 0 0 3.0042 -1.4792 0.0000 C 0 0 0 0 0 0 0 0 0 4.4375 0.1708 0.0000 N 0 0 3 0 0 0 0 0 0 4.3042 -2.4792 0.0000 O 0 0 0 0 0 0 0 0 0 3.1375 -2.4792 0.0000 O 0 0 0 0 0 0 0 0 0 5.1667 -2.7042 0.0000 O 0 0 0 0 0 0 0 0 0 5.8667 -1.4542 0.0000 N 0 0 0 0 0 0 0 0 0 3.7292 -0.2417 0.0000 C 0 0 0 0 0 0 0 0 0 5.1500 -0.2417 0.0000 C 0 0 0 0 0 0 0 0 0 2.2917 -1.8917 0.0000 C 0 0 0 0 0 0 0 0 0 3.0042 -0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 4.4375 0.9958 0.0000 C 0 0 0 0 0 0 0 0 0 5.1542 1.4083 0.0000 C 0 0 0 0 0 0 0 0 0 1.5792 -0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 6.5792 2.2333 0.0000 C 0 0 0 0 0 0 0 0 0 2.2917 -0.2417 0.0000 C 0 0 0 0 0 0 0 0 0 1.5792 -1.4792 0.0000 C 0 0 0 0 0 0 0 0 0 6.5875 -1.8542 0.0000 O 0 0 0 0 0 0 0 0 0 5.8667 0.9958 0.0000 C 0 0 0 0 0 0 0 0 0 5.1500 2.2333 0.0000 C 0 0 0 0 0 0 0 0 0 5.8625 2.6458 0.0000 C 0 0 0 0 0 0 0 0 0 6.5792 1.4083 0.0000 C 0 0 0 0 0 0 0 0 0 7.2917 2.6458 0.0000 O 0 0 0 0 0 0 0 0 0 0.8625 -0.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0.1500 -0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 8.0042 2.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0.1500 -1.4792 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5708 -1.8917 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5708 -2.7167 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 1 1 0 0 0 5 1 1 0 0 0 6 2 1 0 0 0 7 13 1 0 0 0 8 2 2 0 0 0 9 2 2 0 0 0 10 3 2 0 0 0 11 3 1 0 0 0 12 4 1 0 0 0 13 5 1 0 0 0 14 6 2 0 0 0 15 6 1 0 0 0 16 7 1 0 0 0 17 16 1 0 0 0 18 20 1 0 0 0 19 25 1 0 0 0 20 15 2 0 0 0 21 14 1 0 0 0 22 11 1 0 0 0 23 17 2 0 0 0 24 17 1 0 0 0 25 24 2 0 0 0 26 23 1 0 0 0 27 19 1 0 0 0 28 18 1 0 0 0 29 28 1 0 0 0 30 27 1 0 0 0 31 29 1 0 0 0 32 31 1 0 0 0 33 32 1 0 0 0 12 7 1 0 0 0 18 21 2 0 0 0 26 19 2 0 0 0 M END > 9 > 5.58335949266172 $$$$ 11290715122D 1 1.00000 0.00000 0 22 22 0 0 0 999 V2000 -3.9848 -3.3458 0.0000 C 0 0 0 0 0 0 0 0 0 -3.9859 -4.1732 0.0000 C 0 0 0 0 0 0 0 0 0 -3.2711 -4.5860 0.0000 C 0 0 0 0 0 0 0 0 0 -2.5547 -4.1727 0.0000 C 0 0 0 0 0 0 0 0 0 -2.5575 -3.3422 0.0000 C 0 0 0 0 0 0 0 0 0 -3.2729 -2.9330 0.0000 C 0 0 0 0 0 0 0 0 0 -4.6993 -2.9335 0.0000 O 0 0 0 0 0 0 0 0 0 -5.4137 -3.3461 0.0000 C 0 0 0 0 0 0 0 0 0 -1.8395 -4.5841 0.0000 S 0 0 3 0 0 0 0 0 0 -1.1292 -4.9958 0.0000 C 0 0 3 0 0 0 0 0 0 -1.4270 -3.8696 0.0000 O 0 0 0 0 0 0 0 0 0 -2.2487 -5.3005 0.0000 O 0 0 0 0 0 0 0 0 0 -0.4140 -4.5846 0.0000 C 0 0 0 0 0 0 0 0 0 0.2998 -4.9983 0.0000 N 0 0 0 0 0 0 0 0 0 -0.4126 -3.7596 0.0000 O 0 0 0 0 0 0 0 0 0 -1.1306 -5.8208 0.0000 C 0 0 0 0 0 0 0 0 0 -0.4168 -6.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0.2984 -5.8233 0.0000 C 0 0 0 0 0 0 0 0 0 1.0121 -6.2370 0.0000 C 0 0 0 0 0 0 0 0 0 1.7273 -5.8257 0.0000 C 0 0 0 0 0 0 0 0 0 2.4411 -6.2395 0.0000 C 0 0 0 0 0 0 0 0 0 1.0150 -4.5870 0.0000 O 0 0 0 0 0 0 0 0 0 9 11 2 0 0 0 5 6 2 0 0 0 9 12 2 0 0 0 6 1 1 0 0 0 10 13 1 0 0 0 1 2 2 0 0 0 13 14 1 0 0 0 1 7 1 0 0 0 13 15 2 0 0 0 3 4 2 0 0 0 10 16 1 0 0 0 7 8 1 0 0 0 16 17 1 0 0 0 17 18 1 0 0 0 4 9 1 0 0 0 18 19 1 0 0 0 4 5 1 0 0 0 19 20 1 0 0 0 9 10 1 0 0 0 20 21 1 0 0 0 2 3 1 0 0 0 14 22 1 0 0 0 M END > 7.92081875395237 > 5.88272870434424 $$$$ 11280715082D 1 1.00000 0.00000 0 31 33 0 0 0 999 V2000 9.7917 -3.6417 0.0000 C 0 0 3 0 0 0 0 0 0 9.0792 -4.0625 0.0000 S 0 0 3 0 0 0 0 0 0 10.5167 -4.0417 0.0000 C 0 0 0 0 0 0 0 0 0 9.0875 -3.2375 0.0000 C 0 0 0 0 0 0 0 0 0 10.5042 -3.2375 0.0000 C 0 0 0 0 0 0 0 0 0 8.3667 -3.6500 0.0000 C 0 0 0 0 0 0 0 0 0 9.7917 -1.9917 0.0000 N 0 0 3 0 0 0 0 0 0 9.6667 -4.6417 0.0000 O 0 0 0 0 0 0 0 0 0 8.4917 -4.6417 0.0000 O 0 0 0 0 0 0 0 0 0 10.5292 -4.8667 0.0000 O 0 0 0 0 0 0 0 0 0 11.2250 -3.6250 0.0000 N 0 0 0 0 0 0 0 0 0 9.0875 -2.4125 0.0000 C 0 0 0 0 0 0 0 0 0 10.5042 -2.4125 0.0000 C 0 0 0 0 0 0 0 0 0 7.6500 -4.0625 0.0000 C 0 0 0 0 0 0 0 0 0 8.3667 -2.8167 0.0000 C 0 0 0 0 0 0 0 0 0 9.7917 -1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 9.0792 0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 6.9375 -2.8250 0.0000 C 0 0 0 0 0 0 0 0 0 9.0792 1.7208 0.0000 C 0 0 0 0 0 0 0 0 0 7.6500 -2.4042 0.0000 C 0 0 0 0 0 0 0 0 0 6.9375 -3.6500 0.0000 C 0 0 0 0 0 0 0 0 0 9.0792 -0.7542 0.0000 C 0 0 0 0 0 0 0 0 0 11.9417 -4.0250 0.0000 O 0 0 0 0 0 0 0 0 0 8.3667 0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 9.7917 0.4833 0.0000 C 0 0 0 0 0 0 0 0 0 8.3667 1.3083 0.0000 C 0 0 0 0 0 0 0 0 0 9.7917 1.3083 0.0000 C 0 0 0 0 0 0 0 0 0 6.2167 -2.4042 0.0000 O 0 0 0 0 0 0 0 0 0 9.0750 2.5458 0.0000 O 0 0 0 0 0 0 0 0 0 5.5042 -2.8167 0.0000 C 0 0 0 0 0 0 0 0 0 8.3625 2.9583 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 1 1 0 0 0 5 1 1 0 0 0 6 2 1 0 0 0 7 13 1 0 0 0 8 2 2 0 0 0 9 2 2 0 0 0 10 3 2 0 0 0 11 3 1 0 0 0 12 4 1 0 0 0 13 5 1 0 0 0 14 6 2 0 0 0 15 6 1 0 0 0 16 7 1 0 0 0 17 22 1 0 0 0 18 20 1 0 0 0 19 27 1 0 0 0 20 15 2 0 0 0 21 14 1 0 0 0 22 16 1 0 0 0 23 11 1 0 0 0 24 17 2 0 0 0 25 17 1 0 0 0 26 24 1 0 0 0 27 25 2 0 0 0 28 18 1 0 0 0 29 19 1 0 0 0 30 28 1 0 0 0 31 29 1 0 0 0 12 7 1 0 0 0 21 18 2 0 0 0 26 19 2 0 0 0 M END > 8.69897000433602 > 6.1791420105603 $$$$ 11280715152D 1 1.00000 0.00000 0 30 31 0 1 0 999 V2000 2.2917 -4.2542 0.0000 S 0 0 3 0 0 0 0 0 0 2.6750 -2.0542 0.0000 C 0 0 2 0 0 0 0 0 0 2.5042 -5.0542 0.0000 C 0 0 3 0 0 0 0 0 0 3.3875 -1.6417 0.0000 C 0 0 2 0 0 0 0 0 0 4.1000 -2.0542 0.0000 C 0 0 0 0 0 0 0 0 0 2.0875 -3.4667 0.0000 N 0 0 3 0 0 0 0 0 0 2.6750 -2.8792 0.0000 C 0 0 0 0 0 0 0 0 0 4.8167 -1.6417 0.0000 N 0 0 3 0 0 0 0 0 0 1.9542 -1.6417 0.0000 C 0 0 0 0 0 0 0 0 0 3.0917 -4.0417 0.0000 O 0 0 0 0 0 0 0 0 0 1.4917 -4.4750 0.0000 O 0 0 0 0 0 0 0 0 0 3.3875 -0.8167 0.0000 C 0 0 0 0 0 0 0 0 0 4.1000 -2.8792 0.0000 O 0 0 0 0 0 0 0 0 0 1.9542 -0.8167 0.0000 O 0 0 0 0 0 0 0 0 0 2.7125 -5.7792 0.0000 F 0 0 0 0 0 0 0 0 0 2.0167 -5.7625 0.0000 F 0 0 0 0 0 0 0 0 0 3.3042 -5.4042 0.0000 F 0 0 0 0 0 0 0 0 0 1.2417 -2.0542 0.0000 N 0 0 0 0 0 0 0 0 0 0.5292 -1.6417 0.0000 O 0 0 0 0 0 0 0 0 0 1.2625 -3.4625 0.0000 C 0 0 0 0 0 0 0 0 0 5.5250 -2.0542 0.0000 C 0 0 0 0 0 0 0 0 0 4.8042 -0.8167 0.0000 C 0 0 0 0 0 0 0 0 0 3.9667 -0.2292 0.0000 C 0 0 3 0 0 0 0 0 0 4.7875 -0.3542 0.0000 C 0 0 0 0 0 0 0 0 0 3.8292 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 5.5292 -0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 6.2375 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 4.5667 0.9625 0.0000 C 0 0 0 0 0 0 0 0 0 5.1542 0.3833 0.0000 C 0 0 0 0 0 0 0 0 0 6.2417 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 2 7 1 6 0 0 3 1 1 0 0 0 4 2 1 0 0 0 5 4 1 0 0 0 6 1 1 0 0 0 7 6 1 0 0 0 8 5 1 0 0 0 9 2 1 0 0 0 10 1 2 0 0 0 11 1 2 0 0 0 4 12 1 1 0 0 13 5 2 0 0 0 14 9 2 0 0 0 15 3 1 0 0 0 16 3 1 0 0 0 17 3 1 0 0 0 18 9 1 0 0 0 19 18 1 0 0 0 20 6 1 0 0 0 21 8 1 0 0 0 22 8 1 0 0 0 23 12 1 0 0 0 24 23 1 0 0 0 25 23 1 0 0 0 26 22 1 0 0 0 27 21 1 0 0 0 28 25 1 0 0 0 29 24 1 0 0 0 30 26 1 0 0 0 29 28 1 0 0 0 27 30 1 0 0 0 M END > 7.39794000867204 > 8.04575749056067 $$$$ 11280715532D 1 1.00000 0.00000 0 34 36 0 0 0 999 V2000 1.7411 -13.5944 0.0000 C 0 0 0 0 0 0 0 0 0 1.7411 -14.4237 0.0000 C 0 0 0 0 0 0 0 0 0 2.4554 -14.8361 0.0000 N 0 0 3 0 0 0 0 0 0 3.1741 -14.4237 0.0000 C 0 0 0 0 0 0 0 0 0 3.1741 -13.5944 0.0000 C 0 0 0 0 0 0 0 0 0 2.4554 -13.1774 0.0000 C 0 0 3 0 0 0 0 0 0 1.7366 -12.7650 0.0000 C 0 0 0 0 0 0 0 0 0 3.1657 -12.7582 0.0000 C 0 0 0 0 0 0 0 0 0 3.1577 -11.9336 0.0000 S 0 0 3 0 0 0 0 0 0 3.1524 -11.1064 0.0000 C 0 0 0 0 0 0 0 0 0 2.3330 -11.9402 0.0000 O 0 0 0 0 0 0 0 0 0 3.9825 -11.9293 0.0000 O 0 0 0 0 0 0 0 0 0 1.7343 -11.9403 0.0000 O 0 0 0 0 0 0 0 0 0 1.0234 -13.1794 0.0000 N 0 0 0 0 0 0 0 0 0 0.3080 -12.7690 0.0000 O 0 0 0 0 0 0 0 0 0 3.8682 -10.6901 0.0000 C 0 0 0 0 0 0 0 0 0 3.8633 -9.8637 0.0000 C 0 0 0 0 0 0 0 0 0 3.1437 -9.4540 0.0000 C 0 0 0 0 0 0 0 0 0 2.4277 -9.8767 0.0000 C 0 0 0 0 0 0 0 0 0 2.4363 -10.7017 0.0000 C 0 0 0 0 0 0 0 0 0 3.1372 -8.6293 0.0000 O 0 0 0 0 0 0 0 0 0 3.8482 -8.2113 0.0000 C 0 0 0 0 0 0 0 0 0 3.8417 -7.3867 0.0000 C 0 0 0 0 0 0 0 0 0 3.8350 -6.5613 0.0000 C 0 0 0 0 0 0 0 0 0 3.8283 -5.7365 0.0000 C 0 0 0 0 0 0 0 0 0 2.4542 -15.6608 0.0000 C 0 0 0 0 0 0 0 0 0 1.7394 -16.0722 0.0000 C 0 0 0 0 0 0 0 0 0 3.1679 -16.0742 0.0000 O 0 0 0 0 0 0 0 0 0 1.0304 -15.6552 0.0000 C 0 0 0 0 0 0 0 0 0 0.3160 -16.0660 0.0000 C 0 0 0 0 0 0 0 0 0 0.3144 -16.8916 0.0000 C 0 0 0 0 0 0 0 0 0 1.0331 -17.3048 0.0000 C 0 0 0 0 0 0 0 0 0 1.7445 -16.8917 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3998 -17.3039 0.0000 C 0 0 0 0 0 0 0 0 0 16 17 1 0 0 0 1 6 1 0 0 0 17 18 2 0 0 0 8 9 1 0 0 0 18 19 1 0 0 0 2 3 1 0 0 0 19 20 2 0 0 0 20 10 1 0 0 0 9 10 1 0 0 0 18 21 1 0 0 0 3 4 1 0 0 0 21 22 1 0 0 0 9 11 2 0 0 0 22 23 1 0 0 0 4 5 1 0 0 0 23 24 3 0 0 0 9 12 2 0 0 0 24 25 1 0 0 0 5 6 1 0 0 0 3 26 1 0 0 0 7 13 2 0 0 0 26 27 1 0 0 0 26 28 2 0 0 0 7 14 1 0 0 0 27 29 2 0 0 0 6 7 1 0 0 0 29 30 1 0 0 0 14 15 1 0 0 0 30 31 2 0 0 0 1 2 1 0 0 0 31 32 1 0 0 0 10 16 2 0 0 0 32 33 2 0 0 0 33 27 1 0 0 0 6 8 1 0 0 0 31 34 1 0 0 0 M END > 7.10237290870956 > 5.15614457737684 $$$$ 11280715332D 1 1.00000 0.00000 0 28 30 0 1 0 999 V2000 5.4292 -3.0500 0.0000 S 0 0 3 0 0 0 0 0 0 5.6417 -3.8542 0.0000 N 0 0 3 0 0 0 0 0 0 5.0542 -4.4375 0.0000 C 0 0 1 0 0 0 0 0 0 4.2375 -4.3167 0.0000 C 0 0 0 0 0 0 0 0 0 6.3625 -4.2292 0.0000 C 0 0 0 0 0 0 0 0 0 6.2250 -5.0417 0.0000 C 0 0 0 0 0 0 0 0 0 5.4167 -5.1625 0.0000 C 0 0 0 0 0 0 0 0 0 6.2375 -2.8375 0.0000 C 0 0 0 0 0 0 0 0 0 5.2167 -2.2417 0.0000 O 0 0 0 0 0 0 0 0 0 4.6292 -3.2625 0.0000 O 0 0 0 0 0 0 0 0 0 6.7917 -5.6417 0.0000 N 0 0 0 0 0 0 0 0 0 3.9292 -3.5542 0.0000 O 0 0 0 0 0 0 0 0 0 3.7250 -4.9667 0.0000 N 0 0 0 0 0 0 0 0 0 10.3917 -3.8667 0.0000 N 0 0 0 0 0 0 0 0 0 6.4500 -2.0500 0.0000 C 0 0 0 0 0 0 0 0 0 6.8167 -3.4167 0.0000 C 0 0 0 0 0 0 0 0 0 8.6125 -2.1667 0.0000 O 0 0 0 0 0 0 0 0 0 9.2125 -2.7375 0.0000 C 0 0 0 0 0 0 0 0 0 7.8167 -2.4042 0.0000 C 0 0 0 0 0 0 0 0 0 7.6042 -3.2042 0.0000 C 0 0 0 0 0 0 0 0 0 7.2500 -1.8375 0.0000 C 0 0 0 0 0 0 0 0 0 7.5875 -5.4500 0.0000 O 0 0 0 0 0 0 0 0 0 2.9042 -4.8500 0.0000 O 0 0 0 0 0 0 0 0 0 9.0167 -3.5417 0.0000 C 0 0 0 0 0 0 0 0 0 9.9917 -2.5042 0.0000 C 0 0 0 0 0 0 0 0 0 10.5792 -3.0792 0.0000 C 0 0 0 0 0 0 0 0 0 9.6167 -4.1042 0.0000 C 0 0 0 0 0 0 0 0 0 8.1500 -6.0500 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 2 1 0 0 0 6 5 1 0 0 0 3 7 1 6 0 0 8 1 1 0 0 0 9 1 2 0 0 0 10 1 2 0 0 0 11 6 2 0 0 0 12 4 2 0 0 0 13 4 1 0 0 0 14 26 1 0 0 0 15 8 1 0 0 0 16 8 2 0 0 0 17 19 1 0 0 0 18 17 1 0 0 0 19 20 2 0 0 0 20 16 1 0 0 0 21 15 2 0 0 0 22 11 1 0 0 0 23 13 1 0 0 0 24 18 2 0 0 0 25 18 1 0 0 0 26 25 2 0 0 0 27 24 1 0 0 0 28 22 1 0 0 0 19 21 1 0 0 0 6 7 1 0 0 0 14 27 2 0 0 0 M END > 9.69897000433602 > 7.09151498112135 $$$$ 11280715232D 1 1.00000 0.00000 0 30 30 0 0 0 999 V2000 5.4500 -2.8625 0.0000 S 0 0 3 0 0 0 0 0 0 6.1625 -3.2500 0.0000 C 0 0 3 0 0 0 0 0 0 6.1792 -4.0667 0.0000 C 0 0 3 0 0 0 0 0 0 6.8917 -4.4542 0.0000 C 0 0 3 0 0 0 0 0 0 4.7500 -2.4542 0.0000 N 0 0 3 0 0 0 0 0 0 6.9167 -5.2667 0.0000 C 0 0 3 0 0 0 0 0 0 4.0417 -2.8625 0.0000 C 0 0 3 0 0 0 0 0 0 3.3292 -2.4542 0.0000 C 0 0 0 0 0 0 0 0 0 6.1417 -2.1292 0.0000 O 0 0 0 0 0 0 0 0 0 4.7042 -3.5750 0.0000 O 0 0 0 0 0 0 0 0 0 4.7500 -1.6417 0.0000 C 0 0 0 0 0 0 0 0 0 5.6042 -3.8375 0.0000 F 0 0 0 0 0 0 0 0 0 6.8542 -2.8292 0.0000 F 0 0 0 0 0 0 0 0 0 6.7417 -3.4667 0.0000 F 0 0 0 0 0 0 0 0 0 5.4875 -4.4667 0.0000 F 0 0 0 0 0 0 0 0 0 6.3292 -5.0417 0.0000 F 0 0 0 0 0 0 0 0 0 7.5875 -4.0292 0.0000 F 0 0 0 0 0 0 0 0 0 2.6292 -2.8625 0.0000 O 0 0 0 0 0 0 0 0 0 3.3292 -1.6417 0.0000 N 0 0 0 0 0 0 0 0 0 6.2125 -5.6917 0.0000 F 0 0 0 0 0 0 0 0 0 7.4792 -4.6750 0.0000 F 0 0 0 0 0 0 0 0 0 7.6292 -5.6542 0.0000 F 0 0 0 0 0 0 0 0 0 5.4500 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 4.0417 -3.6750 0.0000 C 0 0 0 0 0 0 0 0 0 2.6292 -1.2292 0.0000 O 0 0 0 0 0 0 0 0 0 6.1542 -1.6417 0.0000 C 0 0 0 0 0 0 0 0 0 5.4500 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 6.1417 -0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 6.8542 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 6.8542 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 1 1 0 0 0 6 4 1 0 0 0 7 5 1 0 0 0 8 7 1 0 0 0 9 1 2 0 0 0 10 1 2 0 0 0 11 5 1 0 0 0 12 2 1 0 0 0 13 2 1 0 0 0 14 3 1 0 0 0 15 3 1 0 0 0 16 4 1 0 0 0 17 4 1 0 0 0 18 8 2 0 0 0 19 8 1 0 0 0 20 6 1 0 0 0 21 6 1 0 0 0 22 6 1 0 0 0 23 11 1 0 0 0 24 7 1 0 0 0 25 19 1 0 0 0 26 23 2 0 0 0 27 23 1 0 0 0 28 27 2 0 0 0 29 26 1 0 0 0 30 28 1 0 0 0 29 30 2 0 0 0 M END > 7.92081875395237 > 7.92081875395237 $$$$ 11280715152D 1 1.00000 0.00000 0 30 32 0 1 0 999 V2000 5.0750 -6.9542 0.0000 N 0 0 3 0 0 0 0 0 0 5.6167 -7.5625 0.0000 C 0 0 0 0 0 0 0 0 0 4.3000 -7.2792 0.0000 C 0 0 0 0 0 0 0 0 0 5.2625 -5.3250 0.0000 C 0 0 2 0 0 0 0 0 0 5.9750 -4.9125 0.0000 C 0 0 2 0 0 0 0 0 0 6.6875 -5.3250 0.0000 C 0 0 0 0 0 0 0 0 0 5.2625 -6.1500 0.0000 C 0 0 0 0 0 0 0 0 0 4.3917 -8.0917 0.0000 C 0 0 0 0 0 0 0 0 0 5.1917 -8.2667 0.0000 C 0 0 0 0 0 0 0 0 0 7.4042 -4.9125 0.0000 N 0 0 3 0 0 0 0 0 0 4.5417 -4.9125 0.0000 C 0 0 0 0 0 0 0 0 0 3.6000 -6.8625 0.0000 O 0 0 0 0 0 0 0 0 0 6.4417 -7.4875 0.0000 O 0 0 0 0 0 0 0 0 0 6.6875 -6.1500 0.0000 O 0 0 0 0 0 0 0 0 0 5.9750 -4.0875 0.0000 C 0 0 0 0 0 0 0 0 0 4.5417 -4.0875 0.0000 O 0 0 0 0 0 0 0 0 0 3.8292 -5.3250 0.0000 N 0 0 0 0 0 0 0 0 0 8.8292 -4.0875 0.0000 O 0 0 0 0 0 0 0 0 0 5.4292 -9.0542 0.0000 C 0 0 0 0 0 0 0 0 0 3.8292 -8.6917 0.0000 C 0 0 0 0 0 0 0 0 0 3.1167 -4.9125 0.0000 O 0 0 0 0 0 0 0 0 0 7.3917 -4.0875 0.0000 C 0 0 0 0 0 0 0 0 0 8.1125 -5.3250 0.0000 C 0 0 0 0 0 0 0 0 0 6.6875 -3.6750 0.0000 C 0 0 3 0 0 0 0 0 0 8.8250 -4.9125 0.0000 C 0 0 0 0 0 0 0 0 0 8.1167 -3.6750 0.0000 C 0 0 0 0 0 0 0 0 0 7.4792 -3.4500 0.0000 C 0 0 0 0 0 0 0 0 0 6.6875 -2.8500 0.0000 C 0 0 0 0 0 0 0 0 0 4.0750 -9.4792 0.0000 C 0 0 0 0 0 0 0 0 0 4.8792 -9.6667 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 7 1 6 0 0 5 4 1 0 0 0 6 5 1 0 0 0 7 1 1 0 0 0 8 3 1 0 0 0 9 2 1 0 0 0 10 6 1 0 0 0 11 4 1 0 0 0 12 3 2 0 0 0 13 2 2 0 0 0 14 6 2 0 0 0 5 15 1 1 0 0 16 11 2 0 0 0 17 11 1 0 0 0 18 25 1 0 0 0 19 9 1 0 0 0 20 8 1 0 0 0 21 17 1 0 0 0 22 10 1 0 0 0 23 10 1 0 0 0 24 15 1 0 0 0 25 23 1 0 0 0 26 22 1 0 0 0 27 24 1 0 0 0 28 24 1 0 0 0 29 20 2 0 0 0 30 19 2 0 0 0 8 9 2 0 0 0 29 30 1 0 0 0 18 26 1 0 0 0 M END > 7 > 7.69897000433602 $$$$ 11280715092D 1 1.00000 0.00000 0 39 41 0 0 0 999 V2000 4.6000 -0.6042 0.0000 S 0 0 3 0 0 0 0 0 0 4.0167 -0.4542 0.0000 N 0 0 3 0 0 0 0 0 0 3.5000 -0.7542 0.0000 C 0 0 3 0 0 0 0 0 0 3.4792 -2.5542 0.0000 N 0 0 3 0 0 0 0 0 0 3.4792 -3.1542 0.0000 C 0 0 0 0 0 0 0 0 0 2.9792 -0.4542 0.0000 C 0 0 0 0 0 0 0 0 0 5.1792 -0.4417 0.0000 C 0 0 0 0 0 0 0 0 0 4.6792 0.0458 0.0000 O 0 0 0 0 0 0 0 0 0 4.7542 -1.1792 0.0000 O 0 0 0 0 0 0 0 0 0 3.4917 -1.3542 0.0000 C 0 0 3 0 0 0 0 0 0 4.0042 -2.2542 0.0000 C 0 0 0 0 0 0 0 0 0 2.9667 -2.2417 0.0000 C 0 0 0 0 0 0 0 0 0 2.9542 -3.4417 0.0000 O 0 0 0 0 0 0 0 0 0 6.2125 0.1583 0.0000 C 0 0 0 0 0 0 0 0 0 6.7292 0.4583 0.0000 C 0 0 0 0 0 0 0 0 0 2.9750 0.1458 0.0000 O 0 0 0 0 0 0 0 0 0 4.0167 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 5.6917 -0.7417 0.0000 C 0 0 0 0 0 0 0 0 0 5.1750 0.1583 0.0000 C 0 0 0 0 0 0 0 0 0 2.9667 -1.6417 0.0000 C 0 0 0 0 0 0 0 0 0 4.0042 -1.6542 0.0000 C 0 0 0 0 0 0 0 0 0 5.6875 0.4583 0.0000 C 0 0 0 0 0 0 0 0 0 6.2167 -0.4417 0.0000 C 0 0 0 0 0 0 0 0 0 6.7167 1.0583 0.0000 C 0 0 0 0 0 0 0 0 0 7.2500 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 3.9917 -3.4542 0.0000 O 0 0 0 0 0 0 0 0 0 2.4542 -0.7542 0.0000 O 0 0 0 0 0 0 0 0 0 7.7542 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 7.7625 0.4708 0.0000 C 0 0 0 0 0 0 0 0 0 7.2292 1.3708 0.0000 C 0 0 0 0 0 0 0 0 0 8.2667 1.3833 0.0000 O 0 0 0 0 0 0 0 0 0 4.3750 1.0333 0.0000 O 0 0 0 0 0 0 0 0 0 5.5417 -3.1417 0.0000 O 0 0 0 0 0 0 0 0 0 4.5292 0.4583 0.0000 C 0 0 0 0 0 0 0 0 0 4.5042 -3.1417 0.0000 C 0 0 0 0 0 0 0 0 0 5.0292 -3.4417 0.0000 C 0 0 0 0 0 0 0 0 0 8.8500 1.2208 0.0000 C 0 0 0 0 0 0 0 0 0 6.0625 -3.4417 0.0000 C 0 0 0 0 0 0 0 0 0 4.7917 1.4583 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 11 1 0 0 0 5 4 1 0 0 0 6 3 1 0 0 0 7 1 1 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 3 1 0 0 0 11 21 1 0 0 0 12 20 1 0 0 0 13 5 2 0 0 0 14 22 1 0 0 0 15 14 1 0 0 0 16 6 2 0 0 0 17 2 1 0 0 0 18 7 2 0 0 0 19 7 1 0 0 0 20 10 1 0 0 0 21 10 1 0 0 0 22 19 2 0 0 0 23 18 1 0 0 0 24 15 1 0 0 0 25 15 2 0 0 0 26 5 1 0 0 0 27 6 1 0 0 0 28 29 2 0 0 0 29 25 1 0 0 0 30 24 2 0 0 0 31 28 1 0 0 0 32 34 1 0 0 0 33 36 1 0 0 0 34 17 1 0 0 0 35 26 1 0 0 0 36 35 1 0 0 0 37 31 1 0 0 0 38 33 1 0 0 0 39 32 1 0 0 0 23 14 2 0 0 0 12 4 1 0 0 0 30 28 1 0 0 0 M END > 9 > 5.91364016932525 $$$$ 11280715132D 1 1.00000 0.00000 0 26 27 0 0 0 999 V2000 2.6375 0.3583 0.0000 S 0 0 3 0 0 0 0 0 0 1.2042 0.3458 0.0000 C 0 0 3 0 0 0 0 0 0 1.9125 0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0.4792 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 3.4292 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 2.4292 -0.4417 0.0000 O 0 0 0 0 0 0 0 0 0 2.8292 1.1583 0.0000 O 0 0 0 0 0 0 0 0 0 0.4750 1.5750 0.0000 O 0 0 0 0 0 0 0 0 0 1.2125 -0.4750 0.0000 N 0 0 0 0 0 0 0 0 0 -0.2250 0.3333 0.0000 N 0 0 0 0 0 0 0 0 0 4.0250 0.0083 0.0000 C 0 0 0 0 0 0 0 0 0 3.6375 1.3833 0.0000 C 0 0 0 0 0 0 0 0 0 5.8167 1.2625 0.0000 O 0 0 0 0 0 0 0 0 0 5.0167 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0.4875 -0.0750 0.0000 C 0 0 0 0 0 0 0 0 0 4.4292 1.6083 0.0000 C 0 0 0 0 0 0 0 0 0 4.8167 0.2333 0.0000 C 0 0 0 0 0 0 0 0 0 6.4042 0.6958 0.0000 C 0 0 0 0 0 0 0 0 0 -0.9458 0.7333 0.0000 O 0 0 0 0 0 0 0 0 0 0.4917 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 6.2042 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 7.1917 0.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0.4792 -1.7042 0.0000 C 0 0 0 0 0 0 0 0 0 6.8000 -0.6792 0.0000 C 0 0 0 0 0 0 0 0 0 7.7917 0.3583 0.0000 C 0 0 0 0 0 0 0 0 0 7.5917 -0.4542 0.0000 C 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 3 1 1 0 0 0 4 2 1 0 0 0 5 1 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 4 2 0 0 0 9 2 1 0 0 0 10 4 1 0 0 0 11 5 1 0 0 0 12 5 2 0 0 0 13 14 1 0 0 0 14 16 2 0 0 0 15 2 1 0 0 0 16 12 1 0 0 0 17 11 2 0 0 0 18 13 1 0 0 0 19 10 1 0 0 0 20 9 1 0 0 0 21 18 2 0 0 0 22 18 1 0 0 0 23 20 1 0 0 0 24 21 1 0 0 0 25 22 2 0 0 0 26 25 1 0 0 0 17 14 1 0 0 0 24 26 2 0 0 0 M END > 8.79588001734407 > 5.79588001734407 $$$$ 11280715192D 1 1.00000 0.00000 0 32 34 0 1 0 999 V2000 1.6667 -0.3542 0.0000 S 0 0 3 0 0 0 0 0 0 1.6625 0.4708 0.0000 N 0 0 3 0 0 0 0 0 0 2.3750 0.8875 0.0000 C 0 0 2 0 0 0 0 0 0 1.6500 2.1250 0.0000 N 0 0 3 0 0 0 0 0 0 2.3667 1.7125 0.0000 C 0 0 1 0 0 0 0 0 0 3.0917 0.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0.9375 0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 1.6417 2.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0.9292 1.7083 0.0000 C 0 0 0 0 0 0 0 0 0 1.6667 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 2.3792 0.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0.9542 0.0500 0.0000 O 0 0 0 0 0 0 0 0 0 2.3792 -4.8917 0.0000 C 0 0 0 0 0 0 0 0 0 1.6667 -6.1292 0.0000 N 0 0 0 0 0 0 0 0 0 1.6667 -5.3042 0.0000 C 0 0 0 0 0 0 0 0 0 3.1042 -0.3417 0.0000 O 0 0 0 0 0 0 0 0 0 2.3542 3.3708 0.0000 O 0 0 0 0 0 0 0 0 0 3.8042 0.9000 0.0000 N 0 0 0 0 0 0 0 0 0 2.3792 -4.0667 0.0000 C 0 0 0 0 0 0 0 0 0 2.3792 -1.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0.9542 -1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 1.6667 -3.6542 0.0000 O 0 0 0 0 0 0 0 0 0 1.6667 -2.8375 0.0000 C 0 0 0 0 0 0 0 0 0 3.0792 2.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0.9542 -2.4250 0.0000 C 0 0 0 0 0 0 0 0 0 2.3792 -2.4250 0.0000 C 0 0 0 0 0 0 0 0 0 4.5292 0.4958 0.0000 O 0 0 0 0 0 0 0 0 0 0.9292 3.3583 0.0000 C 0 0 0 0 0 0 0 0 0 3.1000 -5.3042 0.0000 C 0 0 0 0 0 0 0 0 0 2.3792 -6.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0.9542 -4.8917 0.0000 C 0 0 0 0 0 0 0 0 0 3.1000 -6.1250 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 9 1 0 0 0 5 3 1 0 0 0 3 6 1 6 0 0 7 2 1 0 0 0 8 4 1 0 0 0 9 7 1 0 0 0 10 1 1 0 0 0 11 1 2 0 0 0 12 1 2 0 0 0 13 19 1 0 0 0 14 15 1 0 0 0 15 13 2 0 0 0 16 6 2 0 0 0 17 8 2 0 0 0 18 6 1 0 0 0 19 22 1 0 0 0 20 10 2 0 0 0 21 10 1 0 0 0 22 23 1 0 0 0 23 25 1 0 0 0 5 24 1 1 0 0 25 21 2 0 0 0 26 20 1 0 0 0 27 18 1 0 0 0 28 8 1 0 0 0 29 13 1 0 0 0 30 32 1 0 0 0 31 15 1 0 0 0 32 29 2 0 0 0 23 26 2 0 0 0 5 4 1 0 0 0 14 30 2 0 0 0 M END > 8.09691001300806 > 5.46852108295775 $$$$ 11280715432D 1 1.00000 0.00000 0 36 37 0 0 0 999 V2000 -0.9125 1.5833 0.0000 S 0 0 3 0 0 0 0 0 0 -0.9125 0.7583 0.0000 N 0 0 3 0 0 0 0 0 0 -1.6250 0.3458 0.0000 C 0 0 3 0 0 0 0 0 0 -1.1833 -1.0792 0.0000 N 0 0 3 0 0 0 0 0 0 -2.3125 0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7500 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 -1.4875 -1.8417 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1000 -2.7167 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0875 1.5833 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7375 1.5833 0.0000 O 0 0 0 0 0 0 0 0 0 -0.9125 2.4000 0.0000 O 0 0 0 0 0 0 0 0 0 3.6292 0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 4.4542 0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8125 -3.1042 0.0000 N 0 0 0 0 0 0 0 0 0 -0.0750 -1.8792 0.0000 O 0 0 0 0 0 0 0 0 0 -1.5083 -2.6792 0.0000 C 0 0 0 0 0 0 0 0 0 -2.2500 1.6458 0.0000 O 0 0 0 0 0 0 0 0 0 0.6125 -3.1417 0.0000 O 0 0 0 0 0 0 0 0 0 -2.1875 -1.4167 0.0000 O 0 0 0 0 0 0 0 0 0 -3.0583 0.4583 0.0000 N 0 0 0 0 0 0 0 0 0 0.6375 -1.5000 0.0000 C 0 0 3 0 0 0 0 0 0 -0.1458 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0.3250 2.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0.3250 0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0.1000 -0.3417 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3708 -1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 1.5625 1.5833 0.0000 C 0 0 0 0 0 0 0 0 0 1.1500 2.2958 0.0000 C 0 0 0 0 0 0 0 0 0 1.1500 0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 -3.7375 0.9208 0.0000 O 0 0 0 0 0 0 0 0 0 2.8000 0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 2.3792 1.5833 0.0000 O 0 0 0 0 0 0 0 0 0 5.2792 0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0.2375 -0.7750 0.0000 C 0 0 0 0 0 0 0 0 0 1.3625 -1.1042 0.0000 C 0 0 0 0 0 0 0 0 0 1.0292 -2.2292 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 6 1 0 0 0 5 3 1 0 0 0 6 3 1 0 0 0 7 4 1 0 0 0 8 14 1 0 0 0 9 1 1 0 0 0 10 1 2 0 0 0 11 1 2 0 0 0 12 31 1 0 0 0 13 12 3 0 0 0 14 16 1 0 0 0 15 8 1 0 0 0 16 7 1 0 0 0 17 5 2 0 0 0 18 8 2 0 0 0 19 7 2 0 0 0 20 5 1 0 0 0 21 15 1 0 0 0 22 2 1 0 0 0 23 9 1 0 0 0 24 9 2 0 0 0 25 22 1 0 0 0 26 25 1 0 0 0 27 29 2 0 0 0 28 23 2 0 0 0 29 24 1 0 0 0 30 20 1 0 0 0 31 32 1 0 0 0 32 27 1 0 0 0 33 13 1 0 0 0 34 21 1 0 0 0 35 21 1 0 0 0 36 21 1 0 0 0 27 28 1 0 0 0 26 4 1 0 0 0 M END > 6.35066514128786 > 5.33875539104067 $$$$ 11280714502D 1 1.00000 0.00000 0 35 37 0 1 0 999 V2000 3.9667 -1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 4.6917 -0.9167 0.0000 N 0 0 0 0 0 0 0 0 0 3.2500 -0.9000 0.0000 C 0 0 3 0 0 0 0 0 0 1.8250 -0.9000 0.0000 P 0 0 3 0 0 0 0 0 0 5.4167 -1.3667 0.0000 C 0 0 1 0 0 0 0 0 0 5.2417 -2.1667 0.0000 C 0 0 0 0 0 0 0 0 0 2.5417 -1.3125 0.0000 C 0 0 0 0 0 0 0 0 0 2.8292 0.6458 0.0000 C 0 0 3 0 0 0 0 0 0 3.2500 -0.0750 0.0000 C 0 0 0 0 0 0 0 0 0 6.2042 -1.1125 0.0000 C 0 0 3 0 0 0 0 0 0 2.8167 1.4833 0.0000 C 0 0 0 0 0 0 0 0 0 2.1000 1.0583 0.0000 C 0 0 0 0 0 0 0 0 0 1.8167 -0.0750 0.0000 O 0 0 0 0 0 0 0 0 0 3.9667 -2.1250 0.0000 O 0 0 0 0 0 0 0 0 0 4.4542 -2.4167 0.0000 O 0 0 0 0 0 0 0 0 0 1.1000 -1.3167 0.0000 C 0 0 0 0 0 0 0 0 0 5.8417 -2.7292 0.0000 N 0 0 0 0 0 0 0 0 0 1.8167 -1.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0.3917 -0.9042 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0333 -0.0750 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7500 0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0.3917 -0.0750 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3250 0.3375 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3250 -1.3167 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0333 -0.9042 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7500 1.1583 0.0000 C 0 0 0 0 0 0 0 0 0 6.9125 -0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 6.2375 -0.2875 0.0000 C 0 0 0 0 0 0 0 0 0 6.8542 -1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 6.6375 -2.4667 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0333 1.5750 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4625 1.5708 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4583 2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0333 2.3958 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7458 2.8125 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 7 1 0 0 0 5 2 1 0 0 0 6 5 1 0 0 0 7 3 1 0 0 0 8 9 1 0 0 0 3 9 1 0 0 0 5 10 1 6 0 0 11 8 1 0 0 0 12 8 1 0 0 0 13 4 2 0 0 0 14 1 2 0 0 0 15 6 2 0 0 0 16 4 1 0 0 0 17 6 1 0 0 0 18 4 1 0 0 0 19 16 1 0 0 0 20 25 2 0 0 0 21 20 1 0 0 0 22 19 1 0 0 0 23 22 2 0 0 0 24 19 2 0 0 0 25 24 1 0 0 0 26 21 1 0 0 0 27 10 1 0 0 0 28 10 1 0 0 0 29 10 1 0 0 0 30 17 1 0 0 0 31 26 1 0 0 0 32 26 2 0 0 0 33 32 1 0 0 0 34 31 2 0 0 0 35 33 2 0 0 0 12 11 1 0 0 0 23 20 1 0 0 0 34 35 1 0 0 0 M END > 5.95860731484178 > 6.69897000433602 $$$$ SciTegic11161115462D 38 41 0 0 0 0 999 V2000 19.7446 -25.3378 0.0000 C 0 0 19.0284 -25.7492 0.0000 C 0 0 19.0267 -26.5706 0.0000 C 0 0 19.7394 -26.9868 0.0000 N 0 0 20.4556 -26.5754 0.0000 C 0 0 20.4590 -25.7478 0.0000 C 0 0 20.4590 -24.9251 0.0000 S 0 0 20.8713 -24.2106 0.0000 O 0 0 20.0463 -24.2108 0.0000 O 0 0 21.1736 -25.3375 0.0000 C 0 0 21.1724 -26.1648 0.0000 C 0 0 21.8872 -26.5777 0.0000 C 0 0 22.6037 -26.1644 0.0000 C 0 0 22.6008 -25.3338 0.0000 C 0 0 21.8854 -24.9247 0.0000 C 0 0 23.3188 -26.5757 0.0000 O 0 0 19.0301 -24.9255 0.0000 C 0 0 19.0299 -24.1005 0.0000 O 0 0 18.3157 -25.3381 0.0000 N 0 0 17.6011 -24.9258 0.0000 O 0 0 24.0326 -26.1621 0.0000 C 0 0 24.7444 -26.5739 0.0000 C 0 0 24.7367 -24.9239 0.0000 C 0 0 24.0263 -25.3392 0.0000 C 0 0 25.4539 -25.3332 0.0000 C 0 0 25.4606 -26.1571 0.0000 C 0 0 26.1657 -24.9160 0.0000 O 0 0 19.7365 -27.8118 0.0000 C 0 0 26.8828 -25.3238 0.0000 C 0 0 27.5946 -24.9067 0.0000 F 0 0 26.8882 -26.1488 0.0000 F 0 0 27.5917 -25.7333 0.0000 F 0 0 19.0205 -28.2218 0.0000 C 0 0 18.3087 -27.8045 0.0000 C 0 0 17.5932 -28.2138 0.0000 N 0 0 17.5899 -29.0397 0.0000 C 0 0 18.3079 -29.4546 0.0000 C 0 0 19.0204 -29.0429 0.0000 C 0 0 2 3 1 0 17 19 1 0 3 4 1 0 19 20 1 0 10 11 2 0 16 21 1 0 4 5 1 0 21 22 2 0 22 26 1 0 11 12 1 0 25 23 1 0 5 6 1 0 23 24 2 0 24 21 1 0 25 26 2 0 12 13 2 0 8 7 2 0 13 14 1 0 25 27 1 0 7 9 2 0 4 28 1 0 14 15 2 0 27 29 1 0 15 10 1 0 29 30 1 0 29 31 1 0 13 16 1 0 29 32 1 0 10 7 1 0 28 33 1 0 7 1 1 0 33 34 2 0 1 2 1 0 34 35 1 0 1 17 1 0 35 36 2 0 1 6 1 0 36 37 1 0 17 18 2 0 37 38 2 0 38 33 1 0 M END > 9.69897000433602 > 5.33724216831843 $$$$ 11280715002D 1 1.00000 0.00000 0 26 27 0 0 0 999 V2000 5.7042 -7.1792 0.0000 S 0 0 3 0 0 0 0 0 0 5.1792 -6.8792 0.0000 N 0 0 3 0 0 0 0 0 0 7.2667 -5.0667 0.0000 N 0 3 0 0 0 0 0 0 0 4.6542 -7.1792 0.0000 C 0 0 0 0 0 0 0 0 0 4.1292 -6.8792 0.0000 C 0 0 0 0 0 0 0 0 0 6.2292 -7.4792 0.0000 C 0 0 0 0 0 0 0 0 0 6.0125 -6.6625 0.0000 O 0 0 0 0 0 0 0 0 0 5.4000 -7.7042 0.0000 O 0 0 0 0 0 0 0 0 0 6.7500 -5.3667 0.0000 C 0 0 0 0 0 0 0 0 0 7.7917 -5.3667 0.0000 O 0 5 0 0 0 0 0 0 0 5.1792 -6.2750 0.0000 C 0 0 0 0 0 0 0 0 0 7.2667 -4.4625 0.0000 O 0 0 0 0 0 0 0 0 0 3.6125 -7.1792 0.0000 O 0 0 0 0 0 0 0 0 0 4.1292 -6.2750 0.0000 N 0 0 0 0 0 0 0 0 0 6.2167 -8.0875 0.0000 C 0 0 0 0 0 0 0 0 0 6.7417 -7.1792 0.0000 C 0 0 0 0 0 0 0 0 0 6.7500 -5.9667 0.0000 C 0 0 0 0 0 0 0 0 0 6.2167 -5.0667 0.0000 C 0 0 0 0 0 0 0 0 0 5.7042 -5.9667 0.0000 C 0 0 0 0 0 0 0 0 0 7.2667 -8.0875 0.0000 C 0 0 0 0 0 0 0 0 0 5.7042 -5.3667 0.0000 C 0 0 0 0 0 0 0 0 0 6.2292 -6.2750 0.0000 C 0 0 0 0 0 0 0 0 0 7.2625 -7.4792 0.0000 C 0 0 0 0 0 0 0 0 0 6.7500 -8.3875 0.0000 C 0 0 0 0 0 0 0 0 0 7.7917 -8.3875 0.0000 I 0 0 0 0 0 0 0 0 0 3.6125 -5.9667 0.0000 O 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 9 1 0 0 0 4 2 1 0 0 0 5 4 1 0 0 0 6 1 1 0 0 0 7 1 2 0 0 0 8 1 2 0 0 0 9 17 2 0 0 0 10 3 1 0 0 0 11 2 1 0 0 0 12 3 2 0 0 0 13 5 2 0 0 0 14 5 1 0 0 0 15 6 2 0 0 0 16 6 1 0 0 0 17 22 1 0 0 0 18 21 2 0 0 0 19 11 1 0 0 0 20 23 1 0 0 0 21 19 1 0 0 0 22 19 2 0 0 0 23 16 2 0 0 0 24 15 1 0 0 0 25 20 1 0 0 0 26 14 1 0 0 0 24 20 2 0 0 0 9 18 1 0 0 0 M CHG 2 3 1 10 -1 M END > 7.49485002168009 > 7.53760200210104 $$$$ 11280715232D 1 1.00000 0.00000 0 33 33 0 0 0 999 V2000 5.4500 -2.8625 0.0000 S 0 0 3 0 0 0 0 0 0 6.1625 -3.2500 0.0000 C 0 0 3 0 0 0 0 0 0 6.1792 -4.0667 0.0000 C 0 0 3 0 0 0 0 0 0 6.8917 -4.4417 0.0000 C 0 0 3 0 0 0 0 0 0 4.7500 -2.4542 0.0000 N 0 0 3 0 0 0 0 0 0 4.0417 -2.8625 0.0000 C 0 0 3 0 0 0 0 0 0 6.9167 -5.2667 0.0000 C 0 0 3 0 0 0 0 0 0 3.3292 -2.4542 0.0000 C 0 0 0 0 0 0 0 0 0 6.1417 -2.1292 0.0000 O 0 0 0 0 0 0 0 0 0 4.7042 -3.5750 0.0000 O 0 0 0 0 0 0 0 0 0 4.7500 -1.6417 0.0000 C 0 0 0 0 0 0 0 0 0 5.6042 -3.8292 0.0000 F 0 0 0 0 0 0 0 0 0 6.8542 -2.8292 0.0000 F 0 0 0 0 0 0 0 0 0 4.0417 -3.6750 0.0000 C 0 0 0 0 0 0 0 0 0 6.7417 -3.4667 0.0000 F 0 0 0 0 0 0 0 0 0 5.4875 -4.4792 0.0000 F 0 0 0 0 0 0 0 0 0 6.3292 -5.0375 0.0000 F 0 0 0 0 0 0 0 0 0 7.5875 -4.0292 0.0000 F 0 0 0 0 0 0 0 0 0 2.6292 -2.8625 0.0000 O 0 0 0 0 0 0 0 0 0 3.3292 -1.6417 0.0000 N 0 0 0 0 0 0 0 0 0 6.2125 -5.6917 0.0000 F 0 0 0 0 0 0 0 0 0 7.4792 -4.6792 0.0000 F 0 0 0 0 0 0 0 0 0 7.6292 -5.6542 0.0000 F 0 0 0 0 0 0 0 0 0 5.4500 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 2.6292 -1.2292 0.0000 O 0 0 0 0 0 0 0 0 0 3.3292 -4.0792 0.0000 C 0 0 3 0 0 0 0 0 0 5.4500 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 6.1542 -1.6417 0.0000 C 0 0 0 0 0 0 0 0 0 3.3292 -4.8917 0.0000 C 0 0 0 0 0 0 0 0 0 2.6375 -3.6750 0.0000 C 0 0 0 0 0 0 0 0 0 6.8542 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 6.1417 -0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 6.8542 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 1 1 0 0 0 6 5 1 0 0 0 7 4 1 0 0 0 8 6 1 0 0 0 9 1 2 0 0 0 10 1 2 0 0 0 11 5 1 0 0 0 12 2 1 0 0 0 13 2 1 0 0 0 14 6 1 0 0 0 15 3 1 0 0 0 16 3 1 0 0 0 17 4 1 0 0 0 18 4 1 0 0 0 19 8 2 0 0 0 20 8 1 0 0 0 21 7 1 0 0 0 22 7 1 0 0 0 23 7 1 0 0 0 24 11 1 0 0 0 25 20 1 0 0 0 26 14 1 0 0 0 27 24 1 0 0 0 28 24 2 0 0 0 29 26 1 0 0 0 30 26 1 0 0 0 31 28 1 0 0 0 32 27 2 0 0 0 33 31 2 0 0 0 32 33 1 0 0 0 M END > 8.09691001300806 > 8.09691001300806 $$$$ 11280715082D 1 1.00000 0.00000 0 25 26 0 0 0 999 V2000 1.4292 -2.1875 0.0000 C 0 0 3 0 0 0 0 0 0 0.7167 -2.6042 0.0000 S 0 0 3 0 0 0 0 0 0 2.1500 -2.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0.7167 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 2.1417 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0.0000 -2.1917 0.0000 C 0 0 0 0 0 0 0 0 0 1.3000 -3.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0.1292 -3.1875 0.0000 O 0 0 0 0 0 0 0 0 0 1.4292 -0.5375 0.0000 N 0 0 3 0 0 0 0 0 0 2.1625 -3.4125 0.0000 O 0 0 0 0 0 0 0 0 0 2.8542 -2.1667 0.0000 N 0 0 0 0 0 0 0 0 0 0.7167 -0.9542 0.0000 C 0 0 0 0 0 0 0 0 0 2.1417 -0.9542 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7208 -2.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0.0000 -1.3625 0.0000 C 0 0 0 0 0 0 0 0 0 -1.4333 -1.3625 0.0000 C 0 0 0 0 0 0 0 0 0 -1.4333 -2.1917 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7208 -0.9500 0.0000 C 0 0 0 0 0 0 0 0 0 3.5792 -2.5667 0.0000 O 0 0 0 0 0 0 0 0 0 -2.1458 -0.9500 0.0000 O 0 0 0 0 0 0 0 0 0 1.4292 0.2875 0.0000 C 0 0 0 0 0 0 0 0 0 -2.8583 -1.3625 0.0000 C 0 0 0 0 0 0 0 0 0 -3.5708 -0.9500 0.0000 C 0 0 0 0 0 0 0 0 0 -4.2875 -1.3625 0.0000 C 0 0 0 0 0 0 0 0 0 -5.0000 -0.9417 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 1 1 0 0 0 5 1 1 0 0 0 6 2 1 0 0 0 7 2 2 0 0 0 8 2 2 0 0 0 9 13 1 0 0 0 10 3 2 0 0 0 11 3 1 0 0 0 12 4 1 0 0 0 13 5 1 0 0 0 14 6 2 0 0 0 15 6 1 0 0 0 16 18 1 0 0 0 17 14 1 0 0 0 18 15 2 0 0 0 19 11 1 0 0 0 20 16 1 0 0 0 21 9 1 0 0 0 22 20 1 0 0 0 23 22 1 0 0 0 24 23 1 0 0 0 25 24 1 0 0 0 12 9 1 0 0 0 16 17 2 0 0 0 M END > 8.69897000433602 > 5.46597389394387 $$$$ 11280715152D 1 1.00000 0.00000 0 22 21 0 1 0 999 V2000 4.0792 -5.2625 0.0000 S 0 0 3 0 0 0 0 0 0 4.4542 -3.0542 0.0000 C 0 0 2 0 0 0 0 0 0 5.1667 -2.6417 0.0000 C 0 0 2 0 0 0 0 0 0 5.8792 -3.0542 0.0000 C 0 0 0 0 0 0 0 0 0 3.8667 -4.4667 0.0000 N 0 0 3 0 0 0 0 0 0 4.4542 -3.8792 0.0000 C 0 0 0 0 0 0 0 0 0 3.7417 -2.6417 0.0000 C 0 0 0 0 0 0 0 0 0 3.2792 -5.4750 0.0000 O 0 0 0 0 0 0 0 0 0 4.8750 -5.0417 0.0000 O 0 0 0 0 0 0 0 0 0 6.6000 -2.6417 0.0000 N 0 0 3 0 0 0 0 0 0 5.1667 -1.8167 0.0000 C 0 0 0 0 0 0 0 0 0 5.8792 -3.8792 0.0000 O 0 0 0 0 0 0 0 0 0 3.7417 -1.8167 0.0000 O 0 0 0 0 0 0 0 0 0 3.0292 -3.0542 0.0000 N 0 0 0 0 0 0 0 0 0 4.2917 -6.0542 0.0000 C 0 0 0 0 0 0 0 0 0 2.3125 -2.6417 0.0000 O 0 0 0 0 0 0 0 0 0 3.0417 -4.4625 0.0000 C 0 0 0 0 0 0 0 0 0 5.8792 -1.4042 0.0000 C 0 0 3 0 0 0 0 0 0 7.3042 -3.0542 0.0000 C 0 0 0 0 0 0 0 0 0 6.5917 -1.8167 0.0000 C 0 0 0 0 0 0 0 0 0 5.8792 -0.5792 0.0000 C 0 0 0 0 0 0 0 0 0 6.6792 -1.1875 0.0000 C 0 0 0 0 0 0 0 0 0 2 6 1 6 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 1 1 0 0 0 6 5 1 0 0 0 7 2 1 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 4 1 0 0 0 3 11 1 1 0 0 12 4 2 0 0 0 13 7 2 0 0 0 14 7 1 0 0 0 15 1 1 0 0 0 16 14 1 0 0 0 17 5 1 0 0 0 18 11 1 0 0 0 19 10 1 0 0 0 20 10 1 0 0 0 21 18 1 0 0 0 22 18 1 0 0 0 M END > 5.69897000433602 > 6 $$$$ 11280715522D 1 1.00000 0.00000 0 28 29 0 1 0 999 V2000 5.8402 -13.9291 0.0000 C 0 0 0 0 0 0 0 0 0 5.8391 -14.7565 0.0000 C 0 0 0 0 0 0 0 0 0 6.5539 -15.1694 0.0000 C 0 0 0 0 0 0 0 0 0 7.2703 -14.7560 0.0000 C 0 0 0 0 0 0 0 0 0 7.2675 -13.9255 0.0000 C 0 0 0 0 0 0 0 0 0 6.5521 -13.5164 0.0000 C 0 0 0 0 0 0 0 0 0 6.5534 -12.6931 0.0000 O 0 0 0 0 0 0 0 0 0 5.8377 -12.2828 0.0000 C 0 0 0 0 0 0 0 0 0 6.5537 -15.9944 0.0000 C 0 0 2 0 0 0 0 0 0 5.8391 -16.4067 0.0000 C 0 0 1 0 0 0 0 0 0 7.2681 -16.4070 0.0000 C 0 0 0 0 0 0 0 0 0 5.1247 -15.9940 0.0000 C 0 0 0 0 0 0 0 0 0 5.8389 -17.2317 0.0000 C 0 0 0 0 0 0 0 0 0 5.1249 -15.1690 0.0000 O 0 0 0 0 0 0 0 0 0 4.4102 -16.4063 0.0000 N 0 0 0 0 0 0 0 0 0 3.6958 -15.9937 0.0000 O 0 0 0 0 0 0 0 0 0 7.2679 -17.2320 0.0000 O 0 0 0 0 0 0 0 0 0 7.9826 -15.9947 0.0000 N 0 0 3 0 0 0 0 0 0 8.6920 -16.4112 0.0000 C 0 0 1 0 0 0 0 0 0 9.4045 -16.0024 0.0000 C 0 0 0 0 0 0 0 0 0 9.4089 -15.1770 0.0000 C 0 0 0 0 0 0 0 0 0 8.6947 -14.7622 0.0000 C 0 0 0 0 0 0 0 0 0 7.9761 -15.1726 0.0000 C 0 0 0 0 0 0 0 0 0 8.6880 -17.2362 0.0000 C 0 0 0 0 0 0 0 0 0 7.9715 -17.6451 0.0000 O 0 0 0 0 0 0 0 0 0 9.4004 -17.6522 0.0000 N 0 0 0 0 0 0 0 0 0 9.3963 -18.4772 0.0000 C 0 0 0 0 0 0 0 0 0 5.1243 -17.6440 0.0000 C 0 0 0 0 0 0 0 0 0 12 14 2 0 0 0 3 4 2 0 0 0 12 15 1 0 0 0 7 8 1 0 0 0 15 16 1 0 0 0 6 7 1 0 0 0 11 17 2 0 0 0 11 18 1 0 0 0 18 19 1 0 0 0 9 3 1 1 0 0 4 5 1 0 0 0 9 10 1 0 0 0 2 3 1 0 0 0 9 11 1 0 0 0 18 23 1 0 0 0 19 20 1 0 0 0 20 21 1 0 0 0 21 22 1 0 0 0 22 23 1 0 0 0 5 6 2 0 0 0 19 24 1 1 0 0 10 12 1 0 0 0 24 25 2 0 0 0 6 1 1 0 0 0 24 26 1 0 0 0 10 13 1 6 0 0 26 27 1 0 0 0 1 2 2 0 0 0 13 28 1 0 0 0 M END > 8.15490195998574 > 7.60205999132796 $$$$ 11280715442D 1 1.00000 0.00000 0 29 31 0 1 0 999 V2000 -0.9125 0.7583 0.0000 S 0 0 3 0 0 0 0 0 0 -0.9083 1.5750 0.0000 C 0 0 1 0 0 0 0 0 0 -0.1875 1.9833 0.0000 C 0 0 2 0 0 0 0 0 0 0.5167 1.5625 0.0000 C 0 0 0 0 0 0 0 0 0 -0.9125 -0.0667 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7458 0.7625 0.0000 O 0 0 0 0 0 0 0 0 0 -0.0875 0.7583 0.0000 O 0 0 0 0 0 0 0 0 0 0.5125 0.7458 0.0000 O 0 0 0 0 0 0 0 0 0 1.2375 1.9625 0.0000 N 0 0 0 0 0 0 0 0 0 0.3917 2.5708 0.0000 O 0 0 0 0 0 0 0 0 0 -1.6208 1.9875 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1833 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8875 3.2333 0.0000 O 0 0 0 0 0 0 0 0 0 -0.1958 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 -1.6250 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 -0.9125 -2.5417 0.0000 O 0 0 0 0 0 0 0 0 0 -0.9125 -1.7167 0.0000 C 0 0 0 0 0 0 0 0 0 1.9500 -1.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0.5167 -2.5417 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1958 -2.9542 0.0000 C 0 0 0 0 0 0 0 0 0 -1.6250 -1.3042 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1958 -1.3042 0.0000 C 0 0 0 0 0 0 0 0 0 2.6542 -1.3042 0.0000 Cl 0 0 0 0 0 0 0 0 0 1.9500 1.5500 0.0000 O 0 0 0 0 0 0 0 0 0 1.2167 -1.3042 0.0000 C 0 0 0 0 0 0 0 0 0 1.9500 -2.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0.5125 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 1.2292 -2.9542 0.0000 C 0 0 0 0 0 0 0 0 0 -1.6125 2.8208 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 6 0 0 3 2 1 0 0 0 3 4 1 6 0 0 5 1 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 4 2 0 0 0 9 4 1 0 0 0 3 10 1 1 0 0 11 2 1 0 0 0 12 3 1 0 0 0 13 29 1 0 0 0 14 5 2 0 0 0 15 5 1 0 0 0 16 17 1 0 0 0 17 21 1 0 0 0 18 26 2 0 0 0 19 20 1 0 0 0 20 16 1 0 0 0 21 15 2 0 0 0 22 14 1 0 0 0 23 18 1 0 0 0 24 9 1 0 0 0 25 27 2 0 0 0 26 28 1 0 0 0 27 19 1 0 0 0 28 19 2 0 0 0 29 11 1 0 0 0 22 17 2 0 0 0 12 13 1 0 0 0 25 18 1 0 0 0 M END > 9.05551732784983 > 5.85387196432176 $$$$ 11280715462D 1 1.00000 0.00000 0 32 34 0 1 0 999 V2000 2.9542 -2.3500 0.0000 S 0 0 3 0 0 0 0 0 0 2.9542 -3.1792 0.0000 N 0 0 3 0 0 0 0 0 0 2.2417 -3.5917 0.0000 C 0 0 2 0 0 0 0 0 0 2.2375 -4.4167 0.0000 C 0 0 3 0 0 0 0 0 0 1.5250 -3.1792 0.0000 C 0 0 0 0 0 0 0 0 0 3.6792 -3.5917 0.0000 C 0 0 0 0 0 0 0 0 0 2.9625 -1.5250 0.0000 C 0 0 0 0 0 0 0 0 0 3.7792 -2.3417 0.0000 O 0 0 0 0 0 0 0 0 0 2.1292 -2.3417 0.0000 O 0 0 0 0 0 0 0 0 0 5.1292 1.3500 0.0000 C 0 0 0 0 0 0 0 0 0 2.9542 -4.8292 0.0000 C 0 0 0 0 0 0 0 0 0 1.5292 -2.3542 0.0000 O 0 0 0 0 0 0 0 0 0 3.6750 -4.4167 0.0000 C 0 0 1 0 0 0 0 0 0 4.4125 0.9458 0.0000 C 0 0 0 0 0 0 0 0 0 5.8375 0.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0.8125 -3.5875 0.0000 N 0 0 0 0 0 0 0 0 0 3.7042 1.3583 0.0000 C 0 0 0 0 0 0 0 0 0 2.2542 -1.1042 0.0000 C 0 0 0 0 0 0 0 0 0 3.6792 -1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 2.9792 0.9583 0.0000 O 0 0 0 0 0 0 0 0 0 2.9792 0.1333 0.0000 C 0 0 0 0 0 0 0 0 0 6.5542 1.3458 0.0000 F 0 0 0 0 0 0 0 0 0 2.2292 -5.2417 0.0000 C 0 0 0 0 0 0 0 0 0 1.4125 -4.4125 0.0000 C 0 0 0 0 0 0 0 0 0 3.6875 -0.2917 0.0000 C 0 0 0 0 0 0 0 0 0 2.2542 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0.0917 -3.1750 0.0000 O 0 0 0 0 0 0 0 0 0 4.3875 -4.8375 0.0000 O 0 0 0 0 0 0 0 0 0 5.1125 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 5.1292 2.1750 0.0000 C 0 0 0 0 0 0 0 0 0 4.4042 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 5.8292 0.1083 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 3 5 1 6 0 0 6 2 1 0 0 0 7 1 1 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 14 1 0 0 0 11 13 1 0 0 0 12 5 2 0 0 0 13 6 1 0 0 0 14 17 1 0 0 0 15 10 2 0 0 0 16 5 1 0 0 0 17 20 1 0 0 0 18 7 2 0 0 0 19 7 1 0 0 0 20 21 1 0 0 0 21 25 1 0 0 0 22 15 1 0 0 0 23 4 1 0 0 0 24 4 1 0 0 0 25 19 2 0 0 0 26 18 1 0 0 0 27 16 1 0 0 0 13 28 1 6 0 0 29 31 1 0 0 0 30 10 1 0 0 0 31 14 2 0 0 0 32 29 2 0 0 0 26 21 2 0 0 0 11 4 1 0 0 0 32 15 1 0 0 0 M END > 8.36653154442041 > 6.1681302257195 $$$$ 11280715162D 1 1.00000 0.00000 0 29 30 0 0 0 999 V2000 2.9792 -1.1667 0.0000 S 0 0 3 0 0 0 0 0 0 2.2542 -0.7625 0.0000 N 0 0 3 0 0 0 0 0 0 1.5500 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0.8292 -0.7667 0.0000 C 0 0 0 0 0 0 0 0 0 1.5500 -2.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0.8292 0.0583 0.0000 C 0 0 0 0 0 0 0 0 0 3.6917 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 2.9792 -1.9917 0.0000 O 0 0 0 0 0 0 0 0 0 3.6917 -0.7542 0.0000 O 0 0 0 0 0 0 0 0 0 2.2667 -2.4167 0.0000 C 0 0 0 0 0 0 0 0 0 1.5417 0.4708 0.0000 O 0 0 0 0 0 0 0 0 0 0.1167 0.4708 0.0000 N 0 0 0 0 0 0 0 0 0 3.6875 -2.4042 0.0000 C 0 0 0 0 0 0 0 0 0 4.3917 -1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 2.2667 -3.2417 0.0000 N 0 0 3 0 0 0 0 0 0 2.2542 0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0.1167 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0.8292 -2.4167 0.0000 C 0 0 0 0 0 0 0 0 0 5.1125 -2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 4.4000 -2.8125 0.0000 C 0 0 0 0 0 0 0 0 0 5.1042 -1.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0.1125 1.2958 0.0000 O 0 0 0 0 0 0 0 0 0 5.8167 -2.8042 0.0000 O 0 0 0 0 0 0 0 0 0 0.1167 -2.0042 0.0000 C 0 0 0 0 0 0 0 0 0 2.9792 -3.6542 0.0000 C 0 0 0 0 0 0 0 0 0 1.5542 -3.6542 0.0000 C 0 0 0 0 0 0 0 0 0 6.5292 -2.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0.8375 -3.2417 0.0000 C 0 0 0 0 0 0 0 0 0 3.6917 -3.2417 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 2 0 0 0 5 3 1 0 0 0 6 4 1 0 0 0 7 1 1 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 5 1 0 0 0 11 6 2 0 0 0 12 6 1 0 0 0 13 7 2 0 0 0 14 7 1 0 0 0 15 10 1 0 0 0 16 2 1 0 0 0 17 4 1 0 0 0 18 5 2 0 0 0 19 21 1 0 0 0 20 13 1 0 0 0 21 14 2 0 0 0 22 12 1 0 0 0 23 19 1 0 0 0 24 18 1 0 0 0 25 15 1 0 0 0 26 15 1 0 0 0 27 23 1 0 0 0 28 26 1 0 0 0 29 25 1 0 0 0 19 20 2 0 0 0 24 17 2 0 0 0 M END > 7.07572071393812 > 6.12842706445412 $$$$ Mrv0541 04051115152D 20 20 0 0 0 0 999 V2000 0.4084 0.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0041 -0.0020 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.4166 -0.7165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7104 -0.4145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4249 -0.0020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1394 -0.4145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1394 -1.2395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8538 -0.0020 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5683 -0.4145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7104 -1.2395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4249 -1.6520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4249 -2.4770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7185 0.4105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -0.0020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1475 0.4105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1475 1.2355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 1.6480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7185 1.2355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8619 1.6480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5764 1.2355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 3 2 2 0 0 0 0 4 2 1 0 0 0 0 13 2 1 0 0 0 0 5 4 1 0 0 0 0 10 4 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 11 10 1 0 0 0 0 11 12 1 0 0 0 0 13 14 2 0 0 0 0 18 13 1 0 0 0 0 14 15 1 0 0 0 0 16 15 2 0 0 0 0 17 16 1 0 0 0 0 16 19 1 0 0 0 0 18 17 2 0 0 0 0 20 19 1 0 0 0 0 M END > 9 > 6.89279003035213 $$$$ CDK 9/16/09,9:58 28 28 0 0 0 0 0 0 0 0999 V2000 -6.3112 -15.1525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5968 -15.5650 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8824 -15.1525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1678 -15.5650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8824 -14.3275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4533 -15.1525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4533 -14.3275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7389 -15.5650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0244 -15.1525 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7389 -16.3900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3100 -15.5650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5954 -15.1525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3100 -16.3900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3154 -17.2196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4850 -16.3927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1349 -16.3826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5954 -14.3275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1190 -15.5650 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8335 -15.1525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7355 -13.9188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7352 -13.0946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4501 -12.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1669 -13.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1638 -13.9210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1678 -16.3900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8824 -16.8025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4512 -11.8562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7372 -11.4428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 4 1 0 0 0 0 13 15 1 0 0 0 0 6 8 1 0 0 0 0 13 16 1 0 0 0 0 12 17 2 0 0 0 0 8 9 1 0 0 0 0 12 18 1 0 0 0 0 3 5 2 0 0 0 0 18 19 1 0 0 0 0 8 10 2 0 0 0 0 7 20 2 0 0 0 0 2 3 1 0 0 0 0 20 21 1 0 0 0 0 9 11 1 0 0 0 0 21 22 2 0 0 0 0 4 6 1 0 0 0 0 22 23 1 0 0 0 0 11 12 1 0 0 0 0 23 24 2 0 0 0 0 24 7 1 0 0 0 0 1 2 1 0 0 0 0 4 25 1 6 0 0 0 11 13 1 6 0 0 0 25 26 1 0 0 0 0 6 7 1 1 0 0 0 22 27 1 0 0 0 0 13 14 1 0 0 0 0 27 28 1 0 0 0 0 M END > 9.30102999566398 > 9 $$$$ Mrv0541 04051115152D 30 32 0 0 0 0 999 V2000 -0.3858 -1.2287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1003 -1.6412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1003 -2.4662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3858 -2.8787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3286 -2.4662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3286 -1.6412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8148 -1.2287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8148 -0.4037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5292 -1.6412 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2437 -1.2287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0431 -1.2287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3858 -0.4037 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3286 0.0088 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.1003 0.0088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3858 2.0713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1003 2.4838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8148 2.0713 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8148 1.2463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1003 0.8338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3858 1.2463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0431 0.4213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0431 1.2463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7576 1.6588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4721 1.2463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4721 0.4213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7576 0.0088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1865 1.6588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1865 2.4838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7411 -0.7057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0839 0.7232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 12 1 0 0 0 0 2 3 1 0 0 0 0 7 2 1 0 0 0 0 3 4 2 0 0 0 0 5 4 1 0 0 0 0 6 5 2 0 0 0 0 6 11 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 12 13 1 0 0 0 0 14 12 1 0 0 0 0 21 13 1 0 0 0 0 29 13 2 0 0 0 0 30 13 2 0 0 0 0 19 14 1 0 0 0 0 15 16 2 0 0 0 0 20 15 1 0 0 0 0 16 17 1 0 0 0 0 18 17 2 0 0 0 0 19 18 1 0 0 0 0 19 20 2 0 0 0 0 21 22 2 0 0 0 0 21 26 1 0 0 0 0 23 22 1 0 0 0 0 24 23 2 0 0 0 0 24 25 1 0 0 0 0 24 27 1 0 0 0 0 25 26 2 0 0 0 0 28 27 1 0 0 0 0 M END > 8.09691001300806 > 6.84466396253494 $$$$ 11280715152D 1 1.00000 0.00000 0 36 39 0 0 0 999 V2000 7.3542 -4.6667 0.0000 S 0 0 3 0 0 0 0 0 0 7.0625 -5.4500 0.0000 N 0 0 3 0 0 0 0 0 0 6.2500 -5.5125 0.0000 C 0 0 3 0 0 0 0 0 0 6.0250 -6.9792 0.0000 N 0 0 3 0 0 0 0 0 0 5.4125 -7.5292 0.0000 C 0 0 0 0 0 0 0 0 0 5.7792 -6.1917 0.0000 C 0 0 0 0 0 0 0 0 0 7.6292 -6.0500 0.0000 C 0 0 0 0 0 0 0 0 0 6.7917 -7.2792 0.0000 C 0 0 0 0 0 0 0 0 0 5.8375 -4.7875 0.0000 C 0 0 0 0 0 0 0 0 0 7.5042 -6.8667 0.0000 C 0 0 0 0 0 0 0 0 0 7.6417 -3.8875 0.0000 C 0 0 0 0 0 0 0 0 0 4.9750 -8.8875 0.0000 N 0 0 3 0 0 0 0 0 0 6.7917 -3.9292 0.0000 O 0 0 0 0 0 0 0 0 0 8.2625 -4.6792 0.0000 O 0 0 0 0 0 0 0 0 0 5.5875 -8.3375 0.0000 C 0 0 0 0 0 0 0 0 0 3.8000 -10.0417 0.0000 N 0 0 3 0 0 0 0 0 0 4.6292 -7.2792 0.0000 O 0 0 0 0 0 0 0 0 0 6.2542 -4.0667 0.0000 O 0 0 0 0 0 0 0 0 0 5.0125 -4.7792 0.0000 N 0 0 0 0 0 0 0 0 0 7.1167 -3.2542 0.0000 C 0 0 0 0 0 0 0 0 0 8.4542 -3.7417 0.0000 C 0 0 0 0 0 0 0 0 0 5.1792 -9.6875 0.0000 C 0 0 0 0 0 0 0 0 0 4.1875 -8.6667 0.0000 C 0 0 0 0 0 0 0 0 0 3.5917 -9.2417 0.0000 C 0 0 0 0 0 0 0 0 0 4.5917 -10.2625 0.0000 C 0 0 0 0 0 0 0 0 0 8.2042 -2.3417 0.0000 C 0 0 0 0 0 0 0 0 0 8.7375 -2.9750 0.0000 C 0 0 0 0 0 0 0 0 0 7.4000 -2.4875 0.0000 C 0 0 0 0 0 0 0 0 0 4.6000 -4.0667 0.0000 O 0 0 0 0 0 0 0 0 0 8.2250 -7.2792 0.0000 C 0 0 0 0 0 0 0 0 0 6.7917 -8.1125 0.0000 C 0 0 0 0 0 0 0 0 0 8.4917 -1.5542 0.0000 O 0 0 0 0 0 0 0 0 0 3.2042 -10.6250 0.0000 C 0 0 0 0 0 0 0 0 0 7.9542 -0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 8.2250 -8.1125 0.0000 C 0 0 0 0 0 0 0 0 0 7.5042 -8.5250 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 6 1 0 0 0 5 4 1 0 0 0 6 3 1 0 0 0 7 2 1 0 0 0 8 10 1 0 0 0 9 3 1 0 0 0 10 7 1 0 0 0 11 1 1 0 0 0 12 15 1 0 0 0 13 1 2 0 0 0 14 1 2 0 0 0 15 5 1 0 0 0 16 24 1 0 0 0 17 5 2 0 0 0 18 9 2 0 0 0 19 9 1 0 0 0 20 11 1 0 0 0 21 11 2 0 0 0 22 12 1 0 0 0 23 12 1 0 0 0 24 23 1 0 0 0 25 22 1 0 0 0 26 27 2 0 0 0 27 21 1 0 0 0 28 20 2 0 0 0 29 19 1 0 0 0 30 10 2 0 0 0 31 8 2 0 0 0 32 26 1 0 0 0 33 16 1 0 0 0 34 32 1 0 0 0 35 30 1 0 0 0 36 35 2 0 0 0 26 28 1 0 0 0 4 8 1 0 0 0 36 31 1 0 0 0 16 25 1 0 0 0 M END > 6.49894073778225 > 5.30259627679951 $$$$ 11280715232D 1 1.00000 0.00000 0 22 21 0 0 0 999 V2000 3.9125 -1.9250 0.0000 C 0 0 3 0 0 0 0 0 0 3.9292 -2.7417 0.0000 C 0 0 3 0 0 0 0 0 0 4.6417 -3.1292 0.0000 C 0 0 3 0 0 0 0 0 0 3.2000 -1.5375 0.0000 S 0 0 3 0 0 0 0 0 0 4.6667 -3.9417 0.0000 C 0 0 3 0 0 0 0 0 0 2.5000 -1.1292 0.0000 N 0 0 0 0 0 0 0 0 0 1.0792 -1.1292 0.0000 C 0 0 0 0 0 0 0 0 0 1.7917 -1.5375 0.0000 C 0 0 0 0 0 0 0 0 0 3.8917 -0.8167 0.0000 O 0 0 0 0 0 0 0 0 0 2.4542 -2.2542 0.0000 O 0 0 0 0 0 0 0 0 0 4.6042 -1.5042 0.0000 F 0 0 0 0 0 0 0 0 0 3.3542 -2.5167 0.0000 F 0 0 0 0 0 0 0 0 0 3.2375 -3.1625 0.0000 F 0 0 0 0 0 0 0 0 0 4.4917 -2.1417 0.0000 F 0 0 0 0 0 0 0 0 0 5.3375 -2.7042 0.0000 F 0 0 0 0 0 0 0 0 0 4.0792 -3.7250 0.0000 F 0 0 0 0 0 0 0 0 0 0.3792 -1.5375 0.0000 O 0 0 0 0 0 0 0 0 0 4.5542 -4.7250 0.0000 F 0 0 0 0 0 0 0 0 0 5.3792 -4.3292 0.0000 F 0 0 0 0 0 0 0 0 0 4.0500 -4.3292 0.0000 F 0 0 0 0 0 0 0 0 0 1.0792 -0.3167 0.0000 N 0 0 0 0 0 0 0 0 0 0.3792 0.0958 0.0000 O 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 1 1 0 0 0 5 3 1 0 0 0 6 4 1 0 0 0 7 8 1 0 0 0 8 6 1 0 0 0 9 4 2 0 0 0 10 4 2 0 0 0 11 1 1 0 0 0 12 1 1 0 0 0 13 2 1 0 0 0 14 2 1 0 0 0 15 3 1 0 0 0 16 3 1 0 0 0 17 7 2 0 0 0 18 5 1 0 0 0 19 5 1 0 0 0 20 5 1 0 0 0 21 7 1 0 0 0 22 21 1 0 0 0 M END > 7.09691001300806 > 7.09691001300806 $$$$ 11280715072D 1 1.00000 0.00000 0 41 43 0 1 0 999 V2000 5.3792 -2.5917 0.0000 N 0 0 0 0 0 0 0 0 0 4.6667 -3.0125 0.0000 C 0 0 0 0 0 0 0 0 0 2.5250 -2.6125 0.0000 P 0 0 3 0 0 0 0 0 0 3.9500 -2.6042 0.0000 C 0 0 3 0 0 0 0 0 0 6.0917 -3.0042 0.0000 C 0 0 2 0 0 0 0 0 0 6.8042 -2.5875 0.0000 C 0 0 0 0 0 0 0 0 0 3.2375 -3.0167 0.0000 C 0 0 0 0 0 0 0 0 0 6.1000 -3.8292 0.0000 C 0 0 3 0 0 0 0 0 0 2.5167 -1.7875 0.0000 O 0 0 0 0 0 0 0 0 0 4.6667 -3.8375 0.0000 O 0 0 0 0 0 0 0 0 0 3.9417 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 6.8042 -1.7625 0.0000 O 0 0 0 0 0 0 0 0 0 1.8125 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 7.5250 -3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 2.5167 -3.4375 0.0000 O 0 0 0 0 0 0 0 0 0 1.0917 -2.6167 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7625 -1.8042 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3333 -1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0500 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 -3.1958 -2.6375 0.0000 C 0 0 0 0 0 0 0 0 0 4.6542 -1.3625 0.0000 C 0 0 0 0 0 0 0 0 0 1.0875 -1.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0.3667 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4833 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3333 -2.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0.3792 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7625 -2.6375 0.0000 C 0 0 0 0 0 0 0 0 0 -3.1958 -1.8125 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4833 -3.0500 0.0000 C 0 0 0 0 0 0 0 0 0 4.6542 -0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 -3.9083 -3.0500 0.0000 O 0 0 0 0 0 0 0 0 0 6.9250 -3.8292 0.0000 C 0 0 0 0 0 0 0 0 0 6.1125 -4.6542 0.0000 C 0 0 0 0 0 0 0 0 0 5.2750 -3.8250 0.0000 C 0 0 0 0 0 0 0 0 0 8.2375 -2.5792 0.0000 C 0 0 0 0 0 0 0 0 0 3.9417 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 5.3667 -0.1250 0.0000 C 0 0 0 0 0 0 0 0 0 -3.9083 -3.8750 0.0000 C 0 0 0 0 0 0 0 0 0 3.9292 0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 5.3625 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 4.6417 1.1083 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 7 1 0 0 0 4 2 1 0 0 0 5 1 1 0 0 0 6 5 1 0 0 0 7 4 1 0 0 0 5 8 1 6 0 0 9 3 2 0 0 0 10 2 2 0 0 0 4 11 1 0 0 0 12 6 2 0 0 0 13 3 1 0 0 0 14 6 1 0 0 0 15 3 1 0 0 0 16 13 1 0 0 0 17 19 1 0 0 0 18 25 2 0 0 0 19 18 1 0 0 0 20 29 1 0 0 0 21 11 1 0 0 0 22 16 1 0 0 0 23 22 2 0 0 0 24 17 2 0 0 0 25 26 1 0 0 0 26 16 2 0 0 0 27 17 1 0 0 0 28 24 1 0 0 0 29 27 2 0 0 0 30 21 1 0 0 0 31 20 1 0 0 0 32 8 1 0 0 0 33 8 1 0 0 0 34 8 1 0 0 0 35 14 1 0 0 0 36 30 1 0 0 0 37 30 2 0 0 0 38 31 1 0 0 0 39 36 2 0 0 0 40 37 1 0 0 0 41 40 2 0 0 0 41 39 1 0 0 0 18 23 1 0 0 0 20 28 2 0 0 0 M END > 7.26760624017703 > 5.2839966563652 $$$$ 11280715502D 1 1.00000 0.00000 0 29 30 0 1 0 999 V2000 5.8975 -11.7021 0.0000 C 0 0 0 0 0 0 0 0 0 5.8964 -12.5286 0.0000 C 0 0 0 0 0 0 0 0 0 6.6105 -12.9412 0.0000 C 0 0 0 0 0 0 0 0 0 7.3263 -12.5283 0.0000 C 0 0 0 0 0 0 0 0 0 7.3235 -11.6984 0.0000 C 0 0 0 0 0 0 0 0 0 6.6087 -11.2897 0.0000 C 0 0 0 0 0 0 0 0 0 5.1780 -12.9528 0.0000 S 0 0 3 0 0 0 0 0 0 4.4543 -13.3756 0.0000 N 0 0 3 0 0 0 0 0 0 5.6031 -13.6728 0.0000 O 0 0 0 0 0 0 0 0 0 4.7505 -12.2316 0.0000 O 0 0 0 0 0 0 0 0 0 3.7306 -12.9701 0.0000 C 0 0 2 0 0 0 0 0 0 3.0215 -13.3895 0.0000 C 0 0 3 0 0 0 0 0 0 3.0301 -14.2200 0.0000 S 0 0 0 0 0 0 0 0 0 3.7624 -14.6215 0.0000 C 0 0 0 0 0 0 0 0 0 4.4692 -14.2047 0.0000 C 0 0 0 0 0 0 0 0 0 3.7155 -12.1459 0.0000 C 0 0 0 0 0 0 0 0 0 4.4176 -11.7216 0.0000 O 0 0 0 0 0 0 0 0 0 2.9899 -11.7418 0.0000 N 0 0 0 0 0 0 0 0 0 2.9790 -10.9176 0.0000 O 0 0 0 0 0 0 0 0 0 8.0405 -11.2775 0.0000 O 0 0 0 0 0 0 0 0 0 8.7543 -11.6951 0.0000 C 0 0 0 0 0 0 0 0 0 8.7443 -12.5203 0.0000 C 0 0 0 0 0 0 0 0 0 8.7400 -13.3506 0.0000 C 0 0 0 0 0 0 0 0 0 8.7308 -14.1825 0.0000 C 0 0 0 0 0 0 0 0 0 2.8058 -12.5930 0.0000 C 0 0 0 0 0 0 0 0 0 2.1980 -13.3423 0.0000 C 0 0 0 0 0 0 0 0 0 8.0126 -14.5867 0.0000 C 0 0 0 0 0 0 0 0 0 7.3033 -14.1668 0.0000 C 0 0 0 0 0 0 0 0 0 6.5849 -14.5710 0.0000 O 0 0 0 0 0 0 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 3 4 2 0 0 0 11 16 1 0 0 0 7 8 1 0 0 0 16 17 2 0 0 0 16 18 1 0 0 0 7 9 2 0 0 0 18 19 1 0 0 0 4 5 1 0 0 0 5 20 1 0 0 0 7 10 2 0 0 0 20 21 1 0 0 0 8 11 1 0 0 0 21 22 1 0 0 0 2 3 1 0 0 0 22 23 3 0 0 0 5 6 2 0 0 0 23 24 1 0 0 0 6 1 1 0 0 0 12 25 1 0 0 0 1 2 2 0 0 0 12 26 1 0 0 0 2 7 1 0 0 0 24 27 1 0 0 0 8 15 1 0 0 0 27 28 1 0 0 0 11 12 1 6 0 0 28 29 1 0 0 0 M END > 7.06550154875643 > 6.79860287567955 $$$$ 11280715242D 1 1.00000 0.00000 0 32 34 0 0 0 999 V2000 4.8750 -0.9875 0.0000 S 0 0 3 0 0 0 0 0 0 4.8750 -1.5875 0.0000 N 0 0 3 0 0 0 0 0 0 4.3625 -1.8875 0.0000 C 0 0 3 0 0 0 0 0 0 4.8750 -2.7875 0.0000 N 0 0 3 0 0 0 0 0 0 4.8750 -3.3875 0.0000 C 0 0 0 0 0 0 0 0 0 3.8417 -1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 4.3625 -2.4875 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -1.8875 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -3.6875 0.0000 N 0 0 0 0 0 0 0 0 0 5.3917 -0.6792 0.0000 C 0 0 0 0 0 0 0 0 0 4.3250 -0.6000 0.0000 O 0 0 0 0 0 0 0 0 0 5.5875 -1.4000 0.0000 O 0 0 0 0 0 0 0 0 0 5.3917 -2.4875 0.0000 C 0 0 0 0 0 0 0 0 0 4.3542 -3.6792 0.0000 O 0 0 0 0 0 0 0 0 0 5.3917 -4.2875 0.0000 C 0 0 0 0 0 0 0 0 0 3.8375 -0.9875 0.0000 O 0 0 0 0 0 0 0 0 0 3.3167 -1.8875 0.0000 N 0 0 0 0 0 0 0 0 0 5.9125 -4.5792 0.0000 C 0 0 0 0 0 0 0 0 0 5.9125 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -0.0875 0.0000 C 0 0 0 0 0 0 0 0 0 5.9125 -5.1792 0.0000 C 0 0 0 0 0 0 0 0 0 6.4292 -0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 6.4292 -0.6792 0.0000 C 0 0 0 0 0 0 0 0 0 5.9042 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 2.8000 -1.5875 0.0000 O 0 0 0 0 0 0 0 0 0 6.4292 -5.4792 0.0000 O 0 0 0 0 0 0 0 0 0 6.9500 0.2208 0.0000 O 0 0 0 0 0 0 0 0 0 4.8667 -5.1792 0.0000 C 0 0 0 0 0 0 0 0 0 4.8667 -4.5792 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -5.4792 0.0000 C 0 0 0 0 0 0 0 0 0 6.4292 -6.0792 0.0000 C 0 0 0 0 0 0 0 0 0 7.4667 -0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 13 1 0 0 0 5 4 1 0 0 0 6 3 1 0 0 0 7 3 1 0 0 0 8 2 1 0 0 0 9 5 1 0 0 0 10 1 1 0 0 0 11 1 2 0 0 0 12 1 2 0 0 0 13 8 1 0 0 0 14 5 2 0 0 0 15 9 1 0 0 0 16 6 2 0 0 0 17 6 1 0 0 0 18 15 1 0 0 0 19 10 2 0 0 0 20 10 1 0 0 0 21 18 2 0 0 0 22 24 1 0 0 0 23 19 1 0 0 0 24 20 2 0 0 0 25 17 1 0 0 0 26 21 1 0 0 0 27 22 1 0 0 0 28 29 1 0 0 0 29 15 2 0 0 0 30 28 2 0 0 0 31 26 1 0 0 0 32 27 1 0 0 0 22 23 2 0 0 0 4 7 1 0 0 0 30 21 1 0 0 0 M END > 8.55284196865778 > 7.09691001300806 $$$$ 11280714592D 1 1.00000 0.00000 0 37 39 0 0 0 999 V2000 5.2667 -5.5792 0.0000 S 0 0 3 0 0 0 0 0 0 7.8667 -8.2792 0.0000 S 0 0 3 0 0 0 0 0 0 4.7417 -5.2750 0.0000 N 0 0 3 0 0 0 0 0 0 7.8542 -7.6792 0.0000 N 0 0 0 0 0 0 0 0 0 6.8375 -3.4625 0.0000 N 0 3 0 0 0 0 0 0 0 7.3417 -7.3792 0.0000 C 0 0 0 0 0 0 0 0 0 4.2167 -5.5792 0.0000 C 0 0 0 0 0 0 0 0 0 5.7792 -5.8792 0.0000 C 0 0 0 0 0 0 0 0 0 3.6917 -5.2750 0.0000 C 0 0 0 0 0 0 0 0 0 5.5792 -5.0625 0.0000 O 0 0 0 0 0 0 0 0 0 4.9667 -6.1000 0.0000 O 0 0 0 0 0 0 0 0 0 6.3125 -3.7667 0.0000 C 0 0 0 0 0 0 0 0 0 8.4667 -8.2792 0.0000 O 0 0 0 0 0 0 0 0 0 7.2625 -8.2792 0.0000 O 0 0 0 0 0 0 0 0 0 7.8542 -8.8875 0.0000 C 0 0 0 0 0 0 0 0 0 7.3417 -6.7750 0.0000 N 0 0 0 0 0 0 0 0 0 7.3542 -3.7667 0.0000 O 0 5 0 0 0 0 0 0 0 4.7417 -4.6667 0.0000 C 0 0 0 0 0 0 0 0 0 6.8375 -2.8542 0.0000 O 0 0 0 0 0 0 0 0 0 6.8167 -7.6792 0.0000 O 0 0 0 0 0 0 0 0 0 3.1792 -5.5792 0.0000 O 0 0 0 0 0 0 0 0 0 5.7792 -6.4667 0.0000 C 0 0 0 0 0 0 0 0 0 6.3000 -5.5792 0.0000 C 0 0 0 0 0 0 0 0 0 5.7792 -3.4625 0.0000 C 0 0 0 0 0 0 0 0 0 6.3125 -4.3667 0.0000 C 0 0 0 0 0 0 0 0 0 6.8167 -6.4667 0.0000 C 0 0 0 0 0 0 0 0 0 5.2667 -4.3667 0.0000 C 0 0 0 0 0 0 0 0 0 3.6917 -4.6667 0.0000 O 0 0 0 0 0 0 0 0 0 6.8167 -5.8750 0.0000 C 0 0 0 0 0 0 0 0 0 6.3000 -6.7750 0.0000 C 0 0 0 0 0 0 0 0 0 5.7917 -4.6667 0.0000 C 0 0 0 0 0 0 0 0 0 5.2667 -3.7667 0.0000 C 0 0 0 0 0 0 0 0 0 7.3292 -9.1792 0.0000 C 0 0 0 0 0 0 0 0 0 8.3750 -9.1875 0.0000 C 0 0 0 0 0 0 0 0 0 8.3750 -9.7792 0.0000 C 0 0 0 0 0 0 0 0 0 7.3292 -9.7792 0.0000 C 0 0 0 0 0 0 0 0 0 7.8417 -10.0792 0.0000 C 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 3 1 1 0 0 0 4 6 1 0 0 0 5 12 1 0 0 0 6 16 1 0 0 0 7 3 1 0 0 0 8 1 1 0 0 0 9 7 1 0 0 0 10 1 2 0 0 0 11 1 2 0 0 0 12 24 1 0 0 0 13 2 2 0 0 0 14 2 2 0 0 0 15 2 1 0 0 0 16 26 1 0 0 0 17 5 1 0 0 0 18 3 1 0 0 0 19 5 2 0 0 0 20 6 2 0 0 0 21 9 2 0 0 0 22 8 2 0 0 0 23 8 1 0 0 0 24 32 2 0 0 0 25 31 1 0 0 0 26 29 1 0 0 0 27 18 1 0 0 0 28 9 1 0 0 0 29 23 2 0 0 0 30 22 1 0 0 0 31 27 2 0 0 0 32 27 1 0 0 0 33 15 2 0 0 0 34 15 1 0 0 0 35 34 2 0 0 0 36 33 1 0 0 0 37 35 1 0 0 0 30 26 2 0 0 0 25 12 2 0 0 0 36 37 2 0 0 0 M CHG 2 5 1 17 -1 M END > 7.61978875828839 > 7.61978875828839 $$$$ 11280715172D 1 1.00000 0.00000 0 33 35 0 1 0 999 V2000 1.5917 -0.8167 0.0000 S 0 0 3 0 0 0 0 0 0 1.5542 -1.4792 0.0000 N 0 0 3 0 0 0 0 0 0 1.9792 -1.9042 0.0000 C 0 0 2 0 0 0 0 0 0 1.9750 -2.5042 0.0000 C 0 0 3 0 0 0 0 0 0 1.0292 -1.7875 0.0000 C 0 0 0 0 0 0 0 0 0 1.0500 -2.5042 0.0000 C 0 0 3 0 0 0 0 0 0 2.5542 -1.7417 0.0000 C 0 0 0 0 0 0 0 0 0 1.7125 -0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 1.0167 -0.8500 0.0000 O 0 0 0 0 0 0 0 0 0 2.1292 -0.8500 0.0000 O 0 0 0 0 0 0 0 0 0 2.5500 -1.2625 0.0000 O 0 0 0 0 0 0 0 0 0 3.0667 -2.0417 0.0000 N 0 0 0 0 0 0 0 0 0 2.3042 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 1.3417 0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 2.3917 -3.5292 0.0000 S 0 0 0 0 0 0 0 0 0 2.3917 -2.9292 0.0000 C 0 0 0 0 0 0 0 0 0 2.1542 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 2.9042 -5.6250 0.0000 C 0 0 0 0 0 0 0 0 0 2.5292 0.3958 0.0000 C 0 0 0 0 0 0 0 0 0 1.5625 0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 2.9042 -4.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0.5417 -2.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0.8250 -2.9875 0.0000 C 0 0 0 0 0 0 0 0 0 3.6667 -2.0417 0.0000 O 0 0 0 0 0 0 0 0 0 2.3792 -5.3250 0.0000 C 0 0 0 0 0 0 0 0 0 3.4292 -5.3250 0.0000 C 0 0 0 0 0 0 0 0 0 2.3792 -4.7250 0.0000 C 0 0 0 0 0 0 0 0 0 3.4292 -4.7250 0.0000 C 0 0 0 0 0 0 0 0 0 2.3667 1.4208 0.0000 O 0 0 0 0 0 0 0 0 0 2.9042 -6.2250 0.0000 O 0 0 0 0 0 0 0 0 0 2.9042 -3.8292 0.0000 C 0 0 0 0 0 0 0 0 0 2.9625 1.5208 0.0000 C 0 0 0 0 0 0 0 0 0 3.4292 -6.5167 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 3 4 1 1 0 0 5 2 1 0 0 0 6 5 1 0 0 0 7 3 1 0 0 0 8 1 1 0 0 0 9 1 2 0 0 0 10 1 2 0 0 0 11 7 2 0 0 0 12 7 1 0 0 0 13 8 2 0 0 0 14 8 1 0 0 0 15 16 1 0 0 0 16 4 1 0 0 0 17 20 1 0 0 0 18 26 1 0 0 0 19 13 1 0 0 0 20 14 2 0 0 0 21 31 1 0 0 0 22 6 1 0 0 0 23 6 1 0 0 0 24 12 1 0 0 0 25 27 1 0 0 0 26 28 2 0 0 0 27 21 2 0 0 0 28 21 1 0 0 0 29 17 1 0 0 0 30 18 1 0 0 0 31 15 1 0 0 0 32 29 1 0 0 0 33 30 1 0 0 0 17 19 2 0 0 0 4 6 1 0 0 0 25 18 2 0 0 0 M END > 7.65169513695184 > 6.33913452199613 $$$$ SciTegic11161115462D 31 33 0 0 0 0 999 V2000 14.7405 -15.4711 0.0000 C 0 0 14.0243 -15.8826 0.0000 C 0 0 14.0225 -16.7040 0.0000 C 0 0 14.7352 -17.1202 0.0000 N 0 0 15.4514 -16.7087 0.0000 C 0 0 15.4549 -15.8811 0.0000 C 0 0 15.4548 -15.0585 0.0000 S 0 0 15.8672 -14.3439 0.0000 O 0 0 15.0422 -14.3441 0.0000 O 0 0 16.1694 -15.4708 0.0000 C 0 0 16.1682 -16.2982 0.0000 C 0 0 16.8831 -16.7110 0.0000 C 0 0 17.5995 -16.2977 0.0000 C 0 0 17.5966 -15.4672 0.0000 C 0 0 16.8813 -15.0580 0.0000 C 0 0 18.3146 -16.7091 0.0000 O 0 0 14.0259 -15.0588 0.0000 C 0 0 14.0257 -14.2338 0.0000 O 0 0 13.3115 -15.4715 0.0000 N 0 0 12.5969 -15.0591 0.0000 O 0 0 19.0284 -16.2954 0.0000 C 0 0 19.7402 -16.7073 0.0000 C 0 0 20.4535 -16.2943 0.0000 C 0 0 20.4527 -15.4684 0.0000 C 0 0 19.7325 -15.0572 0.0000 C 0 0 19.0222 -15.4725 0.0000 C 0 0 14.7323 -17.9452 0.0000 C 0 0 15.4451 -18.3561 0.0000 C 0 0 16.1580 -18.7713 0.0000 C 0 0 21.1660 -15.0539 0.0000 O 0 0 21.8816 -15.4643 0.0000 C 0 0 13 16 1 0 10 7 1 0 7 1 1 0 1 2 1 0 1 17 1 0 1 6 1 0 17 18 2 0 2 3 1 0 17 19 1 0 3 4 1 0 19 20 1 0 10 11 2 0 16 21 1 0 4 5 1 0 21 22 2 0 11 12 1 0 22 23 1 0 5 6 1 0 23 24 2 0 12 13 2 0 24 25 1 0 8 7 2 0 25 26 2 0 26 21 1 0 13 14 1 0 4 27 1 0 7 9 2 0 27 28 1 0 14 15 2 0 28 29 3 0 15 10 1 0 24 30 1 0 30 31 1 0 M END > 9.39794000867204 > 5.44369749923271 $$$$ 11280715312D 1 1.00000 0.00000 0 31 33 0 1 0 999 V2000 2.0417 -1.3250 0.0000 N 0 0 3 0 0 0 0 0 0 2.0417 -0.7250 0.0000 S 0 0 3 0 0 0 0 0 0 2.7000 -2.7292 0.0000 N 0 0 3 0 0 0 0 0 0 3.3042 -2.7292 0.0000 C 0 0 0 0 0 0 0 0 0 1.5625 -1.6750 0.0000 C 0 0 2 0 0 0 0 0 0 2.5167 -3.3042 0.0000 C 0 0 0 0 0 0 0 0 0 2.3417 -2.2500 0.0000 C 0 0 2 0 0 0 0 0 0 3.4875 -3.3042 0.0000 N 0 0 3 0 0 0 0 0 0 2.5292 -1.6750 0.0000 C 0 0 0 0 0 0 0 0 0 1.7417 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0.9917 -1.4917 0.0000 C 0 0 0 0 0 0 0 0 0 3.0042 -3.6542 0.0000 C 0 0 0 0 0 0 0 0 0 2.5667 -0.4250 0.0000 C 0 0 0 0 0 0 0 0 0 2.0375 -0.1250 0.0000 O 0 0 0 0 0 0 0 0 0 1.4625 -0.5667 0.0000 O 0 0 0 0 0 0 0 0 0 3.6542 -2.2417 0.0000 O 0 0 0 0 0 0 0 0 0 2.0542 -3.4917 0.0000 O 0 0 0 0 0 0 0 0 0 0.8667 -0.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0.5417 -1.8917 0.0000 N 0 0 0 0 0 0 0 0 0 2.5667 0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 3.0875 -0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 4.0542 -3.4875 0.0000 C 0 0 0 0 0 0 0 0 0 3.6042 0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 3.0792 0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 3.6042 -0.4250 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0250 -1.7042 0.0000 O 0 0 0 0 0 0 0 0 0 4.1250 0.4750 0.0000 O 0 0 0 0 0 0 0 0 0 5.6792 0.1833 0.0000 O 0 0 0 0 0 0 0 0 0 4.6417 0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 5.1625 0.4833 0.0000 C 0 0 0 0 0 0 0 0 0 6.2042 0.4833 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 7 3 1 1 0 0 4 3 1 0 0 0 5 1 1 0 0 0 6 3 1 0 0 0 7 9 1 0 0 0 8 4 1 0 0 0 9 1 1 0 0 0 5 10 1 6 0 0 11 5 1 0 0 0 12 6 1 0 0 0 13 2 1 0 0 0 14 2 2 0 0 0 15 2 2 0 0 0 16 4 2 0 0 0 17 6 2 0 0 0 18 11 2 0 0 0 19 11 1 0 0 0 20 13 1 0 0 0 21 13 2 0 0 0 22 8 1 0 0 0 23 25 2 0 0 0 24 20 2 0 0 0 25 21 1 0 0 0 26 19 1 0 0 0 27 23 1 0 0 0 28 30 1 0 0 0 29 27 1 0 0 0 30 29 1 0 0 0 31 28 1 0 0 0 7 10 1 0 0 0 23 24 1 0 0 0 8 12 1 0 0 0 M END > 8.35654732351381 > 5.74472749489669 $$$$ 11280715452D 1 1.00000 0.00000 0 31 33 0 1 0 999 V2000 -0.7333 -0.9750 0.0000 S 0 0 3 0 0 0 0 0 0 -0.7333 -0.1500 0.0000 N 0 0 3 0 0 0 0 0 0 -0.0208 0.2583 0.0000 C 0 0 1 0 0 0 0 0 0 0.6917 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7375 -1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0208 1.0833 0.0000 C 0 0 2 0 0 0 0 0 0 0.0917 -0.9750 0.0000 O 0 0 0 0 0 0 0 0 0 -1.5583 -0.9667 0.0000 O 0 0 0 0 0 0 0 0 0 1.3667 -4.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0.6625 -4.2667 0.0000 C 0 0 0 0 0 0 0 0 0 2.0875 -4.2667 0.0000 C 0 0 0 0 0 0 0 0 0 1.1000 -0.8667 0.0000 O 0 0 0 0 0 0 0 0 0 1.4042 0.2625 0.0000 N 0 0 0 0 0 0 0 0 0 -0.0500 -4.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0.6542 -3.4417 0.0000 C 0 0 0 0 0 0 0 0 0 -1.4458 0.2583 0.0000 C 0 0 0 0 0 0 0 0 0 -1.4583 -2.2000 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0333 -2.2125 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7625 -4.2667 0.0000 O 0 0 0 0 0 0 0 0 0 2.0875 -3.4417 0.0000 C 0 0 0 0 0 0 0 0 0 1.3667 -5.5042 0.0000 F 0 0 0 0 0 0 0 0 0 -0.7583 -3.4417 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0250 1.9083 0.0000 O 0 0 0 0 0 0 0 0 0 1.3667 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 -1.4708 -3.0250 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0375 -3.0375 0.0000 C 0 0 0 0 0 0 0 0 0 2.8000 -3.0292 0.0000 Cl 0 0 0 0 0 0 0 0 0 2.1167 -0.1500 0.0000 O 0 0 0 0 0 0 0 0 0 -0.7333 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 -1.4458 1.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0.7750 1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 3 4 1 6 0 0 5 1 1 0 0 0 6 3 1 0 0 0 7 1 2 0 0 0 8 1 2 0 0 0 9 10 2 0 0 0 10 14 1 0 0 0 11 9 1 0 0 0 12 4 2 0 0 0 13 4 1 0 0 0 14 19 1 0 0 0 15 10 1 0 0 0 16 2 1 0 0 0 17 5 2 0 0 0 18 5 1 0 0 0 19 22 1 0 0 0 20 24 1 0 0 0 21 9 1 0 0 0 22 26 1 0 0 0 6 23 1 1 0 0 24 15 2 0 0 0 25 17 1 0 0 0 26 18 2 0 0 0 27 20 1 0 0 0 28 13 1 0 0 0 29 30 1 0 0 0 30 16 1 0 0 0 6 31 1 6 0 0 22 25 2 0 0 0 29 6 1 0 0 0 20 11 2 0 0 0 M END > 9.06048074738138 > 6.92081875395237 $$$$ 11280715202D 1 1.00000 0.00000 0 29 31 0 1 0 999 V2000 8.7750 -3.0667 0.0000 S 0 0 3 0 0 0 0 0 0 4.0167 -0.8000 0.0000 N 0 0 0 0 0 0 0 0 0 5.3167 -1.5542 0.0000 C 0 0 0 0 0 0 0 0 0 6.1792 -1.5542 0.0000 N 0 0 0 0 0 0 0 0 0 4.8875 -0.8042 0.0000 N 0 0 0 0 0 0 0 0 0 7.9042 -3.0667 0.0000 N 0 0 0 0 0 0 0 0 0 6.6125 -2.3125 0.0000 C 0 0 0 0 0 0 0 0 0 7.4792 -2.3167 0.0000 C 0 0 1 0 0 0 0 0 0 3.5875 -1.5417 0.0000 C 0 0 0 0 0 0 0 0 0 4.8792 -2.3042 0.0000 S 0 0 0 0 0 0 0 0 0 8.7667 -2.2042 0.0000 O 0 0 0 0 0 0 0 0 0 9.6292 -3.0667 0.0000 O 0 0 0 0 0 0 0 0 0 9.2000 -3.8250 0.0000 C 0 0 0 0 0 0 0 0 0 2.7167 -1.5417 0.0000 C 0 0 0 0 0 0 0 0 0 4.0167 -2.3000 0.0000 C 0 0 0 0 0 0 0 0 0 6.1750 -3.0542 0.0000 O 0 0 0 0 0 0 0 0 0 2.2917 -0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 2.2917 -2.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0.9917 -1.5375 0.0000 C 0 0 0 0 0 0 0 0 0 1.4250 -2.2917 0.0000 C 0 0 0 0 0 0 0 0 0 1.4250 -0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0.1250 -1.5292 0.0000 F 0 0 0 0 0 0 0 0 0 7.4750 -1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 8.7542 -4.5667 0.0000 C 0 0 0 0 0 0 0 0 0 10.0542 -3.8292 0.0000 C 0 0 0 0 0 0 0 0 0 10.4875 -4.5792 0.0000 C 0 0 0 0 0 0 0 0 0 9.1792 -5.3167 0.0000 C 0 0 0 0 0 0 0 0 0 10.0417 -5.3292 0.0000 C 0 0 0 0 0 0 0 0 0 8.3125 -2.0875 0.0000 H 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 3 4 1 0 0 0 4 7 1 0 0 0 5 3 2 0 0 0 6 1 1 0 0 0 7 8 1 0 0 0 8 6 1 0 0 0 9 15 1 0 0 0 10 3 1 0 0 0 11 1 2 0 0 0 12 1 2 0 0 0 13 1 1 0 0 0 14 9 1 0 0 0 15 10 1 0 0 0 16 7 2 0 0 0 17 14 2 0 0 0 18 14 1 0 0 0 19 20 1 0 0 0 20 18 2 0 0 0 21 17 1 0 0 0 22 19 1 0 0 0 8 23 1 1 0 0 24 13 2 0 0 0 25 13 1 0 0 0 26 25 2 0 0 0 27 24 1 0 0 0 28 26 1 0 0 0 8 29 1 6 0 0 27 28 2 0 0 0 2 9 2 0 0 0 21 19 2 0 0 0 M END > 6.52287874528034 > 6.20065945054642 $$$$ 11280715072D 1 1.00000 0.00000 0 19 19 0 0 0 999 V2000 -1.2583 1.0875 0.0000 S 0 0 3 0 0 0 0 0 0 -0.7458 0.7875 0.0000 C 0 0 3 0 0 0 0 0 0 -0.2208 1.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0.2917 0.7833 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0958 1.9333 0.0000 O 0 0 0 0 0 0 0 0 0 -1.9083 1.7458 0.0000 O 0 0 0 0 0 0 0 0 0 -1.7833 0.7958 0.0000 C 0 0 3 0 0 0 0 0 0 0.2917 0.1833 0.0000 O 0 0 0 0 0 0 0 0 0 0.8125 1.0833 0.0000 N 0 0 0 0 0 0 0 0 0 1.3292 0.7833 0.0000 O 0 0 0 0 0 0 0 0 0 -0.7458 0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 -2.3083 1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7833 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 -1.2708 -0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 -1.2750 -0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7958 -1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 -2.8250 0.7958 0.0000 C 0 0 0 0 0 0 0 0 0 -2.3083 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 -2.8250 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 1 2 0 0 0 6 1 2 0 0 0 7 1 1 0 0 0 8 4 2 0 0 0 9 4 1 0 0 0 10 9 1 0 0 0 11 2 1 0 0 0 12 7 1 0 0 0 13 7 1 0 0 0 14 11 1 0 0 0 15 14 1 0 0 0 16 15 1 0 0 0 17 12 1 0 0 0 18 13 1 0 0 0 19 18 1 0 0 0 19 17 1 0 0 0 M END > 7 > 7.26760624017703 $$$$ 11280715312D 1 1.00000 0.00000 0 31 34 0 1 0 999 V2000 0.4250 -3.3875 0.0000 N 0 0 3 0 0 0 0 0 0 0.4250 -2.7875 0.0000 S 0 0 3 0 0 0 0 0 0 -0.0583 -3.7375 0.0000 C 0 0 2 0 0 0 0 0 0 0.9125 -3.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0.1250 -4.3125 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6333 -3.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0.7250 -4.3125 0.0000 C 0 0 2 0 0 0 0 0 0 1.0792 -4.7917 0.0000 N 0 0 3 0 0 0 0 0 0 0.9417 -2.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0.4167 -2.1875 0.0000 O 0 0 0 0 0 0 0 0 0 -0.1583 -2.6292 0.0000 O 0 0 0 0 0 0 0 0 0 -0.7583 -2.9667 0.0000 O 0 0 0 0 0 0 0 0 0 -1.0750 -3.9542 0.0000 N 0 0 0 0 0 0 0 0 0 0.9417 -1.8875 0.0000 C 0 0 0 0 0 0 0 0 0 1.4667 -2.7875 0.0000 C 0 0 0 0 0 0 0 0 0 2.5042 -1.5875 0.0000 O 0 0 0 0 0 0 0 0 0 1.9875 -1.8875 0.0000 C 0 0 0 0 0 0 0 0 0 3.0250 -1.8792 0.0000 C 0 0 0 0 0 0 0 0 0 4.0625 -2.4792 0.0000 C 0 0 0 0 0 0 0 0 0 1.9875 -2.4875 0.0000 C 0 0 0 0 0 0 0 0 0 1.4625 -1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 4.5792 -2.7750 0.0000 F 0 0 0 0 0 0 0 0 0 -1.6458 -3.7667 0.0000 O 0 0 0 0 0 0 0 0 0 3.5375 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 3.0250 -2.4792 0.0000 C 0 0 0 0 0 0 0 0 0 3.5417 -2.7792 0.0000 C 0 0 0 0 0 0 0 0 0 4.0542 -1.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0.8917 -5.3667 0.0000 C 0 0 0 0 0 0 0 0 0 1.6792 -4.7917 0.0000 C 0 0 0 0 0 0 0 0 0 1.8667 -5.3667 0.0000 C 0 0 0 0 0 0 0 0 0 1.3792 -5.7167 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 1 1 0 0 0 3 5 1 6 0 0 6 3 1 0 0 0 7 4 1 0 0 0 7 8 1 1 0 0 9 2 1 0 0 0 10 2 2 0 0 0 11 2 2 0 0 0 12 6 2 0 0 0 13 6 1 0 0 0 14 9 1 0 0 0 15 9 2 0 0 0 16 17 1 0 0 0 17 20 2 0 0 0 18 16 1 0 0 0 19 26 2 0 0 0 20 15 1 0 0 0 21 14 2 0 0 0 22 19 1 0 0 0 23 13 1 0 0 0 24 18 1 0 0 0 25 18 2 0 0 0 26 25 1 0 0 0 27 24 2 0 0 0 28 8 1 0 0 0 29 8 1 0 0 0 30 29 1 0 0 0 31 28 1 0 0 0 7 5 1 0 0 0 17 21 1 0 0 0 30 31 1 0 0 0 19 27 1 0 0 0 M END > 9.39794000867204 > 7.69897000433602 $$$$ 11280715082D 1 1.00000 0.00000 0 34 37 0 0 0 999 V2000 7.7417 -7.8375 0.0000 C 0 0 3 0 0 0 0 0 0 7.0292 -8.2542 0.0000 S 0 0 3 0 0 0 0 0 0 8.4667 -8.2375 0.0000 C 0 0 0 0 0 0 0 0 0 7.0375 -7.4292 0.0000 C 0 0 0 0 0 0 0 0 0 8.4542 -7.4292 0.0000 C 0 0 0 0 0 0 0 0 0 6.3167 -7.8417 0.0000 C 0 0 0 0 0 0 0 0 0 7.7417 -6.1875 0.0000 N 0 0 3 0 0 0 0 0 0 7.6167 -8.8375 0.0000 O 0 0 0 0 0 0 0 0 0 6.4417 -8.8375 0.0000 O 0 0 0 0 0 0 0 0 0 8.4792 -9.0625 0.0000 O 0 0 0 0 0 0 0 0 0 9.1750 -7.8167 0.0000 N 0 0 0 0 0 0 0 0 0 7.0375 -6.6042 0.0000 C 0 0 0 0 0 0 0 0 0 8.4542 -6.6042 0.0000 C 0 0 0 0 0 0 0 0 0 5.6000 -8.2542 0.0000 C 0 0 0 0 0 0 0 0 0 6.3167 -7.0125 0.0000 C 0 0 0 0 0 0 0 0 0 7.7417 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 4.1667 -6.6000 0.0000 O 0 0 0 0 0 0 0 0 0 4.8875 -7.0125 0.0000 C 0 0 0 0 0 0 0 0 0 3.4542 -7.0125 0.0000 C 0 0 0 0 0 0 0 0 0 4.8875 -7.8417 0.0000 C 0 0 0 0 0 0 0 0 0 5.6000 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 9.8917 -8.2167 0.0000 O 0 0 0 0 0 0 0 0 0 8.4625 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 3.4625 -7.8292 0.0000 C 0 0 0 0 0 0 0 0 0 8.4542 -4.1292 0.0000 C 0 0 0 0 0 0 0 0 0 9.1750 -5.3667 0.0000 C 0 0 0 0 0 0 0 0 0 2.7542 -8.2375 0.0000 C 0 0 0 0 0 0 0 0 0 4.1667 -8.2292 0.0000 C 0 0 0 0 0 0 0 0 0 9.8875 -4.9542 0.0000 C 0 0 0 0 0 0 0 0 0 2.7542 -9.0542 0.0000 C 0 0 0 0 0 0 0 0 0 4.1792 -9.0500 0.0000 C 0 0 0 0 0 0 0 0 0 9.1667 -3.7167 0.0000 C 0 0 0 0 0 0 0 0 0 9.8917 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 3.4667 -9.4667 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 1 1 0 0 0 5 1 1 0 0 0 6 2 1 0 0 0 7 13 1 0 0 0 8 2 2 0 0 0 9 2 2 0 0 0 10 3 2 0 0 0 11 3 1 0 0 0 12 4 1 0 0 0 13 5 1 0 0 0 14 6 2 0 0 0 15 6 1 0 0 0 16 7 1 0 0 0 17 18 1 0 0 0 18 21 1 0 0 0 19 17 1 0 0 0 20 14 1 0 0 0 21 15 2 0 0 0 22 11 1 0 0 0 23 16 1 0 0 0 24 19 1 0 0 0 25 23 1 0 0 0 26 23 2 0 0 0 27 24 2 0 0 0 28 24 1 0 0 0 29 26 1 0 0 0 30 27 1 0 0 0 31 28 2 0 0 0 32 25 2 0 0 0 33 29 2 0 0 0 34 31 1 0 0 0 12 7 1 0 0 0 18 20 2 0 0 0 32 33 1 0 0 0 30 34 2 0 0 0 M END > 9 > 7.39794000867204 $$$$ 11280715252D 1 1.00000 0.00000 0 33 37 0 1 0 999 V2000 -1.2333 -1.5625 0.0000 N 0 0 3 0 0 0 0 0 0 -1.2375 -0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 -2.0208 -1.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0.8875 -2.2792 0.0000 C 0 0 1 0 0 0 0 0 0 -2.5083 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 -2.0250 -0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5625 -2.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0.2250 -1.7917 0.0000 C 0 0 2 0 0 0 0 0 0 1.5542 -1.8000 0.0000 C 0 0 1 0 0 0 0 0 0 0.8792 -3.1042 0.0000 C 0 0 0 0 0 0 0 0 0 2.3375 -2.0625 0.0000 S 0 0 0 0 0 0 0 0 0 -0.5750 -0.2417 0.0000 O 0 0 0 0 0 0 0 0 0 -2.2625 -2.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0.4792 -1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 1.3042 -1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 4.1875 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 1.5917 -3.5250 0.0000 O 0 0 0 0 0 0 0 0 0 4.8042 0.1333 0.0000 C 0 0 0 0 0 0 0 0 0 2.9542 -1.5125 0.0000 C 0 0 0 0 0 0 0 0 0 3.4000 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 4.3542 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0.1625 -3.5167 0.0000 O 0 0 0 0 0 0 0 0 0 2.7875 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 3.7375 -1.7750 0.0000 C 0 0 0 0 0 0 0 0 0 -2.3625 0.2583 0.0000 C 0 0 0 0 0 0 0 0 0 -3.3208 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 5.5792 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 4.6292 0.9333 0.0000 C 0 0 0 0 0 0 0 0 0 -3.6583 -0.3292 0.0000 C 0 0 0 0 0 0 0 0 0 -3.1833 0.3375 0.0000 C 0 0 0 0 0 0 0 0 0 5.2417 1.4833 0.0000 C 0 0 0 0 0 0 0 0 0 6.2000 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 6.0292 1.2208 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 8 1 0 0 0 5 3 1 0 0 0 6 2 1 0 0 0 7 1 1 0 0 0 8 7 1 6 0 0 9 4 1 0 0 0 4 10 1 1 0 0 9 11 1 6 0 0 12 2 2 0 0 0 13 3 2 0 0 0 14 8 1 0 0 0 15 14 1 0 0 0 16 21 2 0 0 0 17 10 2 0 0 0 18 16 1 0 0 0 19 11 1 0 0 0 20 23 2 0 0 0 21 24 1 0 0 0 22 10 1 0 0 0 23 19 1 0 0 0 24 19 2 0 0 0 25 6 1 0 0 0 26 5 1 0 0 0 27 18 2 0 0 0 28 18 1 0 0 0 29 26 2 0 0 0 30 25 2 0 0 0 31 28 2 0 0 0 32 27 1 0 0 0 33 31 1 0 0 0 5 6 2 0 0 0 9 15 1 0 0 0 30 29 1 0 0 0 16 20 1 0 0 0 32 33 2 0 0 0 M END > 7.18045606445813 > 7.03151705144607 $$$$ 11280715152D 1 1.00000 0.00000 0 34 37 0 0 0 999 V2000 1.9542 -1.2375 0.0000 S 0 0 3 0 0 0 0 0 0 1.6625 -2.0167 0.0000 N 0 0 3 0 0 0 0 0 0 0.6250 -3.5500 0.0000 N 0 0 3 0 0 0 0 0 0 0.8500 -2.0792 0.0000 C 0 0 3 0 0 0 0 0 0 0.0125 -4.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0.3792 -2.7625 0.0000 C 0 0 0 0 0 0 0 0 0 2.2292 -2.6167 0.0000 C 0 0 0 0 0 0 0 0 0 1.3917 -3.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0.4375 -1.3542 0.0000 C 0 0 0 0 0 0 0 0 0 2.1042 -3.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0.1875 -4.9042 0.0000 C 0 0 3 0 0 0 0 0 0 2.2417 -0.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0.3625 -5.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0.9750 -5.1625 0.0000 C 0 0 0 0 0 0 0 0 0 1.1750 -0.9500 0.0000 O 0 0 0 0 0 0 0 0 0 2.7292 -1.5250 0.0000 O 0 0 0 0 0 0 0 0 0 2.8375 3.2833 0.0000 C 0 0 0 0 0 0 0 0 0 3.1167 4.0542 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7708 -3.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0.8542 -0.6417 0.0000 O 0 0 0 0 0 0 0 0 0 -0.3875 -1.3542 0.0000 N 0 0 0 0 0 0 0 0 0 1.7167 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 3.0542 -0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 2.8042 1.0875 0.0000 C 0 0 0 0 0 0 0 0 0 3.3375 0.4583 0.0000 C 0 0 0 0 0 0 0 0 0 2.0000 0.9458 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8000 -0.6417 0.0000 O 0 0 0 0 0 0 0 0 0 2.8250 -3.8542 0.0000 C 0 0 0 0 0 0 0 0 0 2.5542 2.5083 0.0000 C 0 0 0 0 0 0 0 0 0 1.3917 -4.6792 0.0000 C 0 0 0 0 0 0 0 0 0 3.0917 1.8708 0.0000 O 0 0 0 0 0 0 0 0 0 3.3917 4.8375 0.0000 C 0 0 0 0 0 0 0 0 0 2.8250 -4.6792 0.0000 C 0 0 0 0 0 0 0 0 0 2.1042 -5.0917 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 6 1 0 0 0 4 2 1 0 0 0 5 3 1 0 0 0 6 4 1 0 0 0 7 2 1 0 0 0 8 10 1 0 0 0 9 4 1 0 0 0 10 7 1 0 0 0 11 5 1 0 0 0 12 1 1 0 0 0 13 11 1 0 0 0 14 11 1 0 0 0 15 1 2 0 0 0 16 1 2 0 0 0 17 29 1 0 0 0 18 17 3 0 0 0 19 5 2 0 0 0 20 9 2 0 0 0 21 9 1 0 0 0 22 12 1 0 0 0 23 12 2 0 0 0 24 25 2 0 0 0 25 23 1 0 0 0 26 22 2 0 0 0 27 21 1 0 0 0 28 10 2 0 0 0 29 31 1 0 0 0 30 8 2 0 0 0 31 24 1 0 0 0 32 18 1 0 0 0 33 28 1 0 0 0 34 33 2 0 0 0 26 24 1 0 0 0 8 3 1 0 0 0 30 34 1 0 0 0 13 14 1 0 0 0 M END > 7.53760200210104 > 6.07520400420209 $$$$ CDK 9/16/09,10:8 33 35 0 0 0 0 0 0 0 0999 V2000 8.7518 -20.0912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7603 -20.9150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4757 -21.3215 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1867 -20.9044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1782 -20.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4628 -19.6657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4801 -22.1454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7695 -22.5647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1992 -22.5541 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4584 -18.8419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7393 -18.4331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7349 -17.6052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8862 -18.8302 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.2971 -18.1124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4752 -19.5480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6038 -19.2411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1162 -18.0213 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.2853 -17.2117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5675 -16.8007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9549 -17.3564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0142 -16.8315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7083 -17.2776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7790 -15.6314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0507 -16.0119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4778 -16.0758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4420 -16.8990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2083 -15.6950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9033 -16.1373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9097 -22.1373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6260 -22.5444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9042 -21.3134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1689 -18.4226 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0246 -18.8484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13 15 2 0 0 0 0 13 16 2 0 0 0 0 14 17 1 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 14 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 21 22 2 0 0 0 0 22 26 1 0 0 0 0 5 6 1 0 0 0 0 25 23 1 0 0 0 0 3 7 1 0 0 0 0 23 24 2 0 0 0 0 24 21 1 0 0 0 0 18 21 1 0 0 0 0 25 26 2 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 6 1 6 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 10 11 1 0 0 0 0 9 29 1 0 0 0 0 11 12 2 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 13 14 1 0 0 0 0 10 32 1 0 0 0 0 32 13 1 0 0 0 0 11 33 1 0 0 0 0 M END > 8.79588001734407 > 6.11350927482752 $$$$ 11280715142D 1 1.00000 0.00000 0 21 21 0 0 0 999 V2000 2.9042 -0.9417 0.0000 S 0 0 3 0 0 0 0 0 0 3.6250 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 6.4792 1.9708 0.0000 C 0 0 0 0 0 0 0 0 0 7.2042 2.3833 0.0000 C 0 0 0 0 0 0 0 0 0 3.3292 -1.6667 0.0000 O 0 0 0 0 0 0 0 0 0 2.4792 -0.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0.7667 -2.2042 0.0000 C 0 0 0 0 0 0 0 0 0 2.1792 -1.3667 0.0000 N 0 0 0 0 0 0 0 0 0 1.4875 -2.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0.7625 -1.3792 0.0000 O 0 0 0 0 0 0 0 0 0 4.3375 -0.9292 0.0000 C 0 0 0 0 0 0 0 0 0 3.6250 0.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0.0542 -2.6292 0.0000 N 0 0 0 0 0 0 0 0 0 2.1917 -2.2000 0.0000 C 0 0 0 0 0 0 0 0 0 5.0542 0.3083 0.0000 C 0 0 0 0 0 0 0 0 0 4.3375 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 5.0542 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6583 -2.2167 0.0000 O 0 0 0 0 0 0 0 0 0 5.7667 1.5583 0.0000 C 0 0 0 0 0 0 0 0 0 5.7750 0.7333 0.0000 O 0 0 0 0 0 0 0 0 0 7.9167 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 19 1 0 0 0 4 3 3 0 0 0 5 1 2 0 0 0 6 1 2 0 0 0 7 9 1 0 0 0 8 1 1 0 0 0 9 14 1 0 0 0 10 7 2 0 0 0 11 2 1 0 0 0 12 2 2 0 0 0 13 7 1 0 0 0 14 8 1 0 0 0 15 16 2 0 0 0 16 12 1 0 0 0 17 11 2 0 0 0 18 13 1 0 0 0 19 20 1 0 0 0 20 15 1 0 0 0 21 4 1 0 0 0 15 17 1 0 0 0 M END > 7.43179827593301 > 8.04575749056067 $$$$ 11280715522D 1 1.00000 0.00000 0 24 25 0 1 0 999 V2000 13.4319 -6.3750 0.0000 C 0 0 0 0 0 0 0 0 0 13.4307 -7.2023 0.0000 C 0 0 0 0 0 0 0 0 0 14.1456 -7.6152 0.0000 C 0 0 0 0 0 0 0 0 0 14.8620 -7.2019 0.0000 C 0 0 0 0 0 0 0 0 0 14.8591 -6.3713 0.0000 C 0 0 0 0 0 0 0 0 0 14.1438 -5.9622 0.0000 C 0 0 0 0 0 0 0 0 0 14.1451 -5.1390 0.0000 O 0 0 0 0 0 0 0 0 0 13.4294 -4.7286 0.0000 C 0 0 0 0 0 0 0 0 0 14.1454 -8.4402 0.0000 C 0 0 2 0 0 0 0 0 0 13.4308 -8.8525 0.0000 C 0 0 1 0 0 0 0 0 0 14.8597 -8.8529 0.0000 C 0 0 0 0 0 0 0 0 0 12.7164 -8.4399 0.0000 C 0 0 0 0 0 0 0 0 0 13.4306 -9.6775 0.0000 C 0 0 0 0 0 0 0 0 0 12.7166 -7.6149 0.0000 O 0 0 0 0 0 0 0 0 0 12.0018 -8.8522 0.0000 N 0 0 0 0 0 0 0 0 0 11.2875 -8.4395 0.0000 O 0 0 0 0 0 0 0 0 0 12.7160 -10.0899 0.0000 O 0 0 0 0 0 0 0 0 0 14.8595 -9.6779 0.0000 O 0 0 0 0 0 0 0 0 0 15.5743 -8.4406 0.0000 N 0 0 3 0 0 0 0 0 0 16.2837 -8.8570 0.0000 C 0 0 0 0 0 0 0 0 0 16.9961 -8.4482 0.0000 C 0 0 0 0 0 0 0 0 0 17.0006 -7.6229 0.0000 C 0 0 0 0 0 0 0 0 0 16.2864 -7.2080 0.0000 C 0 0 0 0 0 0 0 0 0 15.5677 -7.6185 0.0000 C 0 0 0 0 0 0 0 0 0 10 12 1 0 0 0 6 1 1 0 0 0 10 13 1 6 0 0 1 2 2 0 0 0 12 14 2 0 0 0 3 4 2 0 0 0 12 15 1 0 0 0 7 8 1 0 0 0 15 16 1 0 0 0 6 7 1 0 0 0 13 17 1 0 0 0 11 18 2 0 0 0 9 3 1 1 0 0 11 19 1 0 0 0 19 20 1 0 0 0 4 5 1 0 0 0 9 10 1 0 0 0 2 3 1 0 0 0 9 11 1 0 0 0 5 6 2 0 0 0 19 24 1 0 0 0 20 21 1 0 0 0 21 22 1 0 0 0 22 23 1 0 0 0 23 24 1 0 0 0 M END > 7.25963731050576 > 6.67162039656126 $$$$ 11280715332D 1 1.00000 0.00000 0 28 30 0 1 0 999 V2000 5.4542 -3.1167 0.0000 S 0 0 3 0 0 0 0 0 0 5.7417 -3.9000 0.0000 N 0 0 3 0 0 0 0 0 0 5.2167 -4.5292 0.0000 C 0 0 1 0 0 0 0 0 0 4.3917 -4.4875 0.0000 C 0 0 0 0 0 0 0 0 0 6.5042 -4.2042 0.0000 C 0 0 0 0 0 0 0 0 0 6.4500 -5.0292 0.0000 C 0 0 0 0 0 0 0 0 0 5.6542 -5.2250 0.0000 C 0 0 0 0 0 0 0 0 0 6.2375 -2.8292 0.0000 C 0 0 0 0 0 0 0 0 0 5.1667 -2.3417 0.0000 O 0 0 0 0 0 0 0 0 0 4.6792 -3.4042 0.0000 O 0 0 0 0 0 0 0 0 0 7.0750 -5.5667 0.0000 N 0 0 0 0 0 0 0 0 0 4.0167 -3.7542 0.0000 O 0 0 0 0 0 0 0 0 0 3.9375 -5.1792 0.0000 N 0 0 0 0 0 0 0 0 0 6.8667 -3.3542 0.0000 C 0 0 0 0 0 0 0 0 0 6.3792 -2.0167 0.0000 C 0 0 0 0 0 0 0 0 0 8.5667 -1.9792 0.0000 O 0 0 0 0 0 0 0 0 0 7.7792 -2.2667 0.0000 C 0 0 0 0 0 0 0 0 0 7.6375 -3.0750 0.0000 C 0 0 0 0 0 0 0 0 0 7.1500 -1.7375 0.0000 C 0 0 0 0 0 0 0 0 0 7.8500 -5.3000 0.0000 O 0 0 0 0 0 0 0 0 0 9.2000 -2.5167 0.0000 C 0 0 0 0 0 0 0 0 0 3.1125 -5.1375 0.0000 O 0 0 0 0 0 0 0 0 0 9.0542 -3.3250 0.0000 C 0 0 0 0 0 0 0 0 0 9.9750 -2.2375 0.0000 C 0 0 0 0 0 0 0 0 0 8.4792 -5.8375 0.0000 C 0 0 0 0 0 0 0 0 0 10.6042 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 9.6792 -3.8542 0.0000 C 0 0 0 0 0 0 0 0 0 10.4542 -3.5792 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 2 1 0 0 0 6 5 1 0 0 0 3 7 1 6 0 0 8 1 1 0 0 0 9 1 2 0 0 0 10 1 2 0 0 0 11 6 2 0 0 0 12 4 2 0 0 0 13 4 1 0 0 0 14 8 2 0 0 0 15 8 1 0 0 0 16 17 1 0 0 0 17 19 1 0 0 0 18 14 1 0 0 0 19 15 2 0 0 0 20 11 1 0 0 0 21 16 1 0 0 0 22 13 1 0 0 0 23 21 2 0 0 0 24 21 1 0 0 0 25 20 1 0 0 0 26 24 2 0 0 0 27 23 1 0 0 0 28 26 1 0 0 0 17 18 2 0 0 0 6 7 1 0 0 0 28 27 2 0 0 0 M END > 9.39794000867204 > 8.52287874528034 $$$$ SciTegic11161115462D 29 32 0 0 0 0 999 V2000 18.5458 1.4248 0.0000 C 0 0 17.8296 1.0134 0.0000 C 0 0 17.8279 0.1919 0.0000 C 0 0 18.5406 -0.2243 0.0000 N 0 0 19.2569 0.1871 0.0000 C 0 0 19.2603 1.0148 0.0000 C 0 0 19.2603 1.8375 0.0000 S 0 0 19.6726 2.5521 0.0000 O 0 0 18.8475 2.5519 0.0000 O 0 0 19.9749 1.4251 0.0000 C 0 0 19.9737 0.5977 0.0000 C 0 0 20.6886 0.1848 0.0000 C 0 0 21.4051 0.5981 0.0000 C 0 0 21.4022 1.4288 0.0000 C 0 0 20.6868 1.8379 0.0000 C 0 0 22.1203 0.1868 0.0000 O 0 0 17.8313 1.8371 0.0000 C 0 0 17.8311 2.6622 0.0000 O 0 0 17.1168 1.4245 0.0000 N 0 0 16.4022 1.8368 0.0000 O 0 0 22.8341 0.6004 0.0000 C 0 0 23.5459 0.1886 0.0000 C 0 0 23.5382 1.8387 0.0000 C 0 0 22.8278 1.4234 0.0000 C 0 0 24.2585 1.4275 0.0000 C 0 0 24.2622 0.6054 0.0000 C 0 0 25.0450 0.3549 0.0000 O 0 0 25.5254 1.0222 0.0000 C 0 0 25.0390 1.6849 0.0000 O 0 0 15 10 1 0 13 16 1 0 10 7 1 0 7 1 1 0 1 2 1 0 1 17 1 0 1 6 1 0 17 18 2 0 2 3 1 0 17 19 1 0 3 4 1 0 19 20 1 0 10 11 2 0 16 21 1 0 4 5 1 0 21 22 2 0 22 26 1 0 11 12 1 0 25 23 1 0 5 6 1 0 23 24 2 0 24 21 1 0 25 26 2 0 12 13 2 0 8 7 2 0 13 14 1 0 7 9 2 0 14 15 2 0 26 27 1 0 27 28 1 0 28 29 1 0 29 25 1 0 M END > 8.72124639904717 > 5.35654732351381 $$$$ 11280715062D 1 1.00000 0.00000 0 33 33 0 0 0 999 V2000 -0.5833 -1.2167 0.0000 S 0 0 3 0 0 0 0 0 0 -1.0458 -1.5917 0.0000 C 0 0 3 0 0 0 0 0 0 -0.9583 -2.1792 0.0000 C 0 0 3 0 0 0 0 0 0 -1.4208 -2.5542 0.0000 C 0 0 3 0 0 0 0 0 0 -1.0833 -0.8792 0.0000 N 0 0 3 0 0 0 0 0 0 -0.9250 0.9208 0.0000 N 0 3 0 0 0 0 0 0 0 -1.4250 -3.1542 0.0000 C 0 0 3 0 0 0 0 0 0 -1.6708 -0.9792 0.0000 C 0 0 3 0 0 0 0 0 0 -1.0250 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 -2.0458 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 -0.4750 -0.0167 0.0000 C 0 0 0 0 0 0 0 0 0 -0.4250 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0875 -1.5542 0.0000 O 0 0 0 0 0 0 0 0 0 -0.2375 -0.7292 0.0000 O 0 0 0 0 0 0 0 0 0 -0.4875 -1.8042 0.0000 F 0 0 0 0 0 0 0 0 0 -1.5250 -1.3417 0.0000 F 0 0 0 0 0 0 0 0 0 -0.8833 1.5208 0.0000 O 0 5 0 0 0 0 0 0 0 -1.4708 0.6708 0.0000 O 0 0 0 0 0 0 0 0 0 -1.5208 -1.9667 0.0000 F 0 0 0 0 0 0 0 0 0 -0.3958 -2.4042 0.0000 F 0 0 0 0 0 0 0 0 0 -0.8625 -2.7667 0.0000 F 0 0 0 0 0 0 0 0 0 -1.9833 -2.3417 0.0000 F 0 0 0 0 0 0 0 0 0 -2.6333 -0.6167 0.0000 O 0 0 0 0 0 0 0 0 0 -2.0458 0.0833 0.0000 N 0 0 0 0 0 0 0 0 0 -0.9500 -3.5542 0.0000 F 0 0 0 0 0 0 0 0 0 -1.4375 -3.7042 0.0000 F 0 0 0 0 0 0 0 0 0 -1.9208 -3.5417 0.0000 F 0 0 0 0 0 0 0 0 0 -1.8750 -1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 -2.5625 0.3833 0.0000 O 0 0 0 0 0 0 0 0 0 0.0167 -0.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0.1167 0.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0.5667 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0.6042 0.5083 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 1 1 0 0 0 6 12 1 0 0 0 7 4 1 0 0 0 8 5 1 0 0 0 9 5 1 0 0 0 10 8 1 0 0 0 11 9 1 0 0 0 12 11 1 0 0 0 13 1 2 0 0 0 14 1 2 0 0 0 15 2 1 0 0 0 16 2 1 0 0 0 17 6 1 0 0 0 18 6 2 0 0 0 19 3 1 0 0 0 20 3 1 0 0 0 21 4 1 0 0 0 22 4 1 0 0 0 23 10 2 0 0 0 24 10 1 0 0 0 25 7 1 0 0 0 26 7 1 0 0 0 27 7 1 0 0 0 28 8 1 0 0 0 29 24 1 0 0 0 30 11 2 0 0 0 31 12 2 0 0 0 32 30 1 0 0 0 33 32 2 0 0 0 33 31 1 0 0 0 M CHG 2 6 1 17 -1 M END > 8 > 8 $$$$ SciTegic01161211252D 38 41 0 0 0 0 999 V2000 9.4667 -4.5417 0.0000 C 0 0 9.4667 -5.3667 0.0000 C 0 0 10.1787 -5.7750 0.0000 N 0 0 10.8907 -5.3667 0.0000 C 0 0 10.8907 -4.5417 0.0000 C 0 0 10.1787 -4.1250 0.0000 C 0 0 9.4510 -3.7173 0.0000 C 0 0 9.4396 -2.8924 0.0000 O 0 0 8.7424 -4.1397 0.0000 N 0 0 8.0222 -3.7371 0.0000 O 0 0 10.8875 -3.7083 0.0000 S 0 0 11.6052 -4.1152 0.0000 C 0 0 11.6078 -4.9386 0.0000 C 0 0 12.3247 -5.3454 0.0000 C 0 0 13.0369 -4.9273 0.0000 C 0 0 13.0277 -4.0980 0.0000 C 0 0 12.3103 -3.6950 0.0000 C 0 0 13.7551 -5.3332 0.0000 N 0 0 13.7597 -6.1593 0.0000 C 0 0 14.4738 -6.5652 0.0000 C 0 0 15.1869 -6.1497 0.0000 C 0 0 15.1813 -5.3237 0.0000 C 0 0 14.4626 -4.9133 0.0000 C 0 0 15.9036 -6.5583 0.0000 C 0 0 15.9080 -7.3833 0.0000 O 0 0 16.6158 -6.1420 0.0000 N 0 0 10.4708 -2.9917 0.0000 O 0 0 11.2958 -2.9917 0.0000 O 0 0 10.1787 -6.6000 0.0000 C 0 0 9.4642 -7.0125 0.0000 C 0 0 9.4642 -7.8375 0.0000 O 0 0 8.7497 -8.2500 0.0000 C 0 0 16.6114 -5.3170 0.0000 C 0 0 17.3251 -4.9017 0.0000 C 0 0 17.3210 -4.0775 0.0000 C 0 0 16.6038 -3.6680 0.0000 C 0 0 15.8892 -4.0888 0.0000 C 0 0 15.8968 -4.9116 0.0000 C 0 0 18 19 1 0 7 9 1 0 2 3 1 0 9 10 1 0 3 4 1 0 6 11 1 0 18 23 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 4 5 1 0 21 24 1 0 11 12 1 0 24 25 2 0 5 6 1 0 24 26 1 0 12 13 2 0 11 27 2 0 11 28 2 0 13 14 1 0 3 29 1 0 6 7 1 0 29 30 1 0 14 15 2 0 30 31 1 0 1 2 1 0 31 32 1 0 15 16 1 0 26 33 1 0 7 8 2 0 33 34 2 0 16 17 2 0 34 35 1 0 17 12 1 0 35 36 2 0 1 6 1 0 36 37 1 0 15 18 1 0 37 38 2 0 38 33 1 0 M END > 8.04575749056067 > 5 $$$$ 11280715152D 1 1.00000 0.00000 0 36 39 0 0 0 999 V2000 6.6750 -4.4750 0.0000 S 0 0 3 0 0 0 0 0 0 6.3792 -5.2542 0.0000 N 0 0 3 0 0 0 0 0 0 5.5667 -5.3167 0.0000 C 0 0 3 0 0 0 0 0 0 5.3417 -6.7875 0.0000 N 0 0 3 0 0 0 0 0 0 5.1042 -6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 6.9500 -5.8542 0.0000 C 0 0 0 0 0 0 0 0 0 5.1542 -4.5917 0.0000 C 0 0 0 0 0 0 0 0 0 6.1167 -7.0917 0.0000 C 0 0 0 0 0 0 0 0 0 6.8292 -6.6792 0.0000 C 0 0 0 0 0 0 0 0 0 4.7292 -7.3417 0.0000 C 0 0 0 0 0 0 0 0 0 6.9625 -3.6917 0.0000 C 0 0 0 0 0 0 0 0 0 7.5750 -4.4625 0.0000 O 0 0 0 0 0 0 0 0 0 6.1042 -3.8375 0.0000 O 0 0 0 0 0 0 0 0 0 5.5792 -3.8792 0.0000 O 0 0 0 0 0 0 0 0 0 3.9500 -7.0875 0.0000 O 0 0 0 0 0 0 0 0 0 4.3292 -4.5917 0.0000 N 0 0 0 0 0 0 0 0 0 4.9042 -8.1417 0.0000 C 0 0 0 0 0 0 0 0 0 6.4375 -3.0667 0.0000 C 0 0 0 0 0 0 0 0 0 7.7750 -3.5542 0.0000 C 0 0 0 0 0 0 0 0 0 7.5292 -2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 5.6917 -8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 6.7167 -2.2917 0.0000 C 0 0 0 0 0 0 0 0 0 8.0542 -2.7792 0.0000 C 0 0 0 0 0 0 0 0 0 3.9167 -3.8792 0.0000 O 0 0 0 0 0 0 0 0 0 7.5417 -7.0917 0.0000 C 0 0 0 0 0 0 0 0 0 5.8667 -9.2042 0.0000 C 0 0 0 0 0 0 0 0 0 6.1167 -7.9167 0.0000 C 0 0 0 0 0 0 0 0 0 7.8125 -1.3667 0.0000 O 0 0 0 0 0 0 0 0 0 5.2625 -9.7542 0.0000 C 0 0 0 0 0 0 0 0 0 6.6542 -9.4542 0.0000 C 0 0 0 0 0 0 0 0 0 7.2792 -0.7292 0.0000 C 0 0 0 0 0 0 0 0 0 7.5417 -7.9167 0.0000 C 0 0 0 0 0 0 0 0 0 6.8292 -8.3292 0.0000 C 0 0 0 0 0 0 0 0 0 6.8292 -10.2625 0.0000 C 0 0 0 0 0 0 0 0 0 5.4375 -10.5542 0.0000 C 0 0 0 0 0 0 0 0 0 6.2167 -10.8167 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 5 1 0 0 0 5 3 1 0 0 0 6 2 1 0 0 0 7 3 1 0 0 0 8 9 1 0 0 0 9 6 1 0 0 0 10 4 1 0 0 0 11 1 1 0 0 0 12 1 2 0 0 0 13 1 2 0 0 0 14 7 2 0 0 0 15 10 2 0 0 0 16 7 1 0 0 0 17 10 1 0 0 0 18 11 1 0 0 0 19 11 2 0 0 0 20 23 2 0 0 0 21 17 1 0 0 0 22 18 2 0 0 0 23 19 1 0 0 0 24 16 1 0 0 0 25 9 2 0 0 0 26 21 1 0 0 0 27 8 2 0 0 0 28 20 1 0 0 0 29 26 2 0 0 0 30 26 1 0 0 0 31 28 1 0 0 0 32 25 1 0 0 0 33 32 2 0 0 0 34 30 2 0 0 0 35 29 1 0 0 0 36 34 1 0 0 0 20 22 1 0 0 0 4 8 1 0 0 0 33 27 1 0 0 0 36 35 2 0 0 0 M END > 7.58502665202918 > 6.28149831113273 $$$$ 11280715072D 1 1.00000 0.00000 0 19 19 0 0 0 999 V2000 0.3792 -1.2375 0.0000 S 0 0 3 0 0 0 0 0 0 0.9000 -1.5375 0.0000 C 0 0 3 0 0 0 0 0 0 1.4167 -1.2417 0.0000 C 0 0 0 0 0 0 0 0 0 1.9292 -1.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0.5417 -0.3917 0.0000 O 0 0 0 0 0 0 0 0 0 -0.2708 -0.5792 0.0000 O 0 0 0 0 0 0 0 0 0 -0.1458 -1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 1.9292 -2.1417 0.0000 O 0 0 0 0 0 0 0 0 0 2.4542 -1.2417 0.0000 N 0 0 0 0 0 0 0 0 0 2.9750 -1.5417 0.0000 O 0 0 0 0 0 0 0 0 0 0.8917 -2.1375 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6625 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1458 -2.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0.3667 -2.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0.3667 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1583 -3.3292 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1833 -1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6583 -2.4292 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1833 -2.1292 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 1 2 0 0 0 6 1 2 0 0 0 7 1 1 0 0 0 8 4 2 0 0 0 9 4 1 0 0 0 10 9 1 0 0 0 11 2 1 0 0 0 12 7 2 0 0 0 13 7 1 0 0 0 14 11 1 0 0 0 15 14 1 0 0 0 16 15 1 0 0 0 17 12 1 0 0 0 18 13 2 0 0 0 19 18 1 0 0 0 19 17 2 0 0 0 M END > 7.65757731917779 > 6.95860731484177 $$$$ 11280715002D 1 1.00000 0.00000 0 29 30 0 0 0 999 V2000 6.2292 -7.6875 0.0000 S 0 0 3 0 0 0 0 0 0 5.7042 -7.3875 0.0000 N 0 0 0 0 0 0 0 0 0 5.7042 -6.7792 0.0000 C 0 0 0 0 0 0 0 0 0 7.2667 -4.6667 0.0000 N 0 3 0 0 0 0 0 0 0 5.1792 -6.4792 0.0000 N 0 0 3 0 0 0 0 0 0 6.7500 -7.9792 0.0000 C 0 0 0 0 0 0 0 0 0 4.1292 -6.4792 0.0000 C 0 0 0 0 0 0 0 0 0 5.9167 -8.2042 0.0000 O 0 0 0 0 0 0 0 0 0 6.5167 -7.1542 0.0000 O 0 0 0 0 0 0 0 0 0 6.7500 -4.9667 0.0000 C 0 0 0 0 0 0 0 0 0 4.6542 -6.7792 0.0000 C 0 0 0 0 0 0 0 0 0 7.7917 -4.9667 0.0000 O 0 5 0 0 0 0 0 0 0 7.2667 -4.0625 0.0000 O 0 0 0 0 0 0 0 0 0 6.2292 -6.4792 0.0000 O 0 0 0 0 0 0 0 0 0 5.1792 -5.8750 0.0000 C 0 0 0 0 0 0 0 0 0 3.6125 -6.7792 0.0000 O 0 0 0 0 0 0 0 0 0 7.2542 -7.6792 0.0000 C 0 0 0 0 0 0 0 0 0 4.1292 -5.8750 0.0000 N 0 0 0 0 0 0 0 0 0 6.2167 -4.6667 0.0000 C 0 0 0 0 0 0 0 0 0 6.7500 -5.5750 0.0000 C 0 0 0 0 0 0 0 0 0 5.7042 -5.5750 0.0000 C 0 0 0 0 0 0 0 0 0 5.7042 -4.9667 0.0000 C 0 0 0 0 0 0 0 0 0 6.2292 -5.8750 0.0000 C 0 0 0 0 0 0 0 0 0 3.6125 -5.5750 0.0000 O 0 0 0 0 0 0 0 0 0 6.7417 -8.5792 0.0000 C 0 0 0 0 0 0 0 0 0 7.2500 -7.0750 0.0000 C 0 0 0 0 0 0 0 0 0 7.7750 -7.9792 0.0000 C 0 0 0 0 0 0 0 0 0 7.2625 -8.8750 0.0000 C 0 0 0 0 0 0 0 0 0 7.7792 -8.5792 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 10 1 0 0 0 5 3 1 0 0 0 6 1 1 0 0 0 7 11 1 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 20 2 0 0 0 11 5 1 0 0 0 12 4 1 0 0 0 13 4 2 0 0 0 14 3 2 0 0 0 15 5 1 0 0 0 16 7 2 0 0 0 17 6 1 0 0 0 18 7 1 0 0 0 19 22 2 0 0 0 20 23 1 0 0 0 21 15 1 0 0 0 22 21 1 0 0 0 23 21 2 0 0 0 24 18 1 0 0 0 25 6 2 0 0 0 26 17 1 0 0 0 27 17 2 0 0 0 28 25 1 0 0 0 29 28 2 0 0 0 27 29 1 0 0 0 19 10 1 0 0 0 M CHG 2 4 1 12 -1 M END > 8 > 8 $$$$ 11280714482D 1 1.00000 0.00000 0 19 20 0 1 0 999 V2000 5.2792 -1.0667 0.0000 C 0 0 0 0 0 0 0 0 0 5.6917 -1.7875 0.0000 N 0 0 3 0 0 0 0 0 0 4.4667 -1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 4.3792 -2.0625 0.0000 C 0 0 1 0 0 0 0 0 0 3.6667 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 5.1292 -2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 6.5042 -1.8667 0.0000 C 0 0 0 0 0 0 0 0 0 5.6042 -0.3125 0.0000 O 0 0 0 0 0 0 0 0 0 3.6667 -3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 2.9542 -2.0625 0.0000 N 0 0 0 0 0 0 0 0 0 6.8417 -2.6250 0.0000 C 0 0 0 0 0 0 0 0 0 7.5167 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 2.2417 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 6.3542 -3.2875 0.0000 C 0 0 0 0 0 0 0 0 0 7.6667 -2.7042 0.0000 C 0 0 0 0 0 0 0 0 0 8.0042 -3.4542 0.0000 C 0 0 0 0 0 0 0 0 0 6.6917 -4.0417 0.0000 C 0 0 0 0 0 0 0 0 0 7.8542 -4.8792 0.0000 O 0 0 0 0 0 0 0 0 0 7.3667 -5.5500 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 3 1 0 0 0 4 5 1 6 0 0 6 2 1 0 0 0 7 2 1 0 0 0 8 1 2 0 0 0 9 5 2 0 0 0 10 5 1 0 0 0 11 7 1 0 0 0 12 16 1 0 0 0 13 10 1 0 0 0 14 11 2 0 0 0 15 11 1 0 0 0 16 15 2 0 0 0 17 14 1 0 0 0 18 12 1 0 0 0 19 18 1 0 0 0 4 6 1 0 0 0 17 12 2 0 0 0 M END > 6.55129368009492 > 6.41116827440579 $$$$ 11280715122D 1 1.00000 0.00000 0 35 38 0 0 0 999 V2000 5.2292 -0.7667 0.0000 S 0 0 3 0 0 0 0 0 0 5.4125 -1.5792 0.0000 N 0 0 3 0 0 0 0 0 0 4.7667 -2.0875 0.0000 C 0 0 3 0 0 0 0 0 0 5.4125 -3.4292 0.0000 N 0 0 3 0 0 0 0 0 0 4.7667 -2.9167 0.0000 C 0 0 0 0 0 0 0 0 0 5.2292 -4.2292 0.0000 C 0 0 0 0 0 0 0 0 0 4.0250 -1.7250 0.0000 C 0 0 0 0 0 0 0 0 0 5.8375 -0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 6.0292 -0.9792 0.0000 O 0 0 0 0 0 0 0 0 0 4.4292 -0.5542 0.0000 O 0 0 0 0 0 0 0 0 0 5.8375 -4.7917 0.0000 O 0 0 0 0 0 0 0 0 0 3.9667 -0.9042 0.0000 O 0 0 0 0 0 0 0 0 0 4.4417 -4.4750 0.0000 C 0 0 0 0 0 0 0 0 0 3.3417 -2.1875 0.0000 N 0 0 0 0 0 0 0 0 0 6.2167 -1.7625 0.0000 C 0 0 0 0 0 0 0 0 0 6.6250 -0.4542 0.0000 C 0 0 0 0 0 0 0 0 0 5.6542 0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 7.6542 1.4625 0.0000 O 0 0 0 0 0 0 0 0 0 6.2167 -3.2417 0.0000 C 0 0 0 0 0 0 0 0 0 6.5667 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 7.0500 0.9083 0.0000 C 0 0 0 0 0 0 0 0 0 7.2292 0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 6.2542 1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 8.4417 1.2208 0.0000 C 0 0 0 0 0 0 0 0 0 2.6000 -1.8292 0.0000 O 0 0 0 0 0 0 0 0 0 4.2667 -5.2792 0.0000 C 0 0 0 0 0 0 0 0 0 3.8417 -3.9125 0.0000 C 0 0 0 0 0 0 0 0 0 8.6167 0.4208 0.0000 C 0 0 0 0 0 0 0 0 0 9.0417 1.7833 0.0000 C 0 0 0 0 0 0 0 0 0 3.0542 -4.1542 0.0000 C 0 0 0 0 0 0 0 0 0 3.4792 -5.5250 0.0000 C 0 0 0 0 0 0 0 0 0 9.8292 1.5458 0.0000 C 0 0 0 0 0 0 0 0 0 9.4042 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 2.8667 -4.9625 0.0000 C 0 0 0 0 0 0 0 0 0 10.0167 0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 5 1 0 0 0 5 3 1 0 0 0 6 4 1 0 0 0 7 3 1 0 0 0 8 1 1 0 0 0 9 1 2 0 0 0 10 1 2 0 0 0 11 6 2 0 0 0 12 7 2 0 0 0 13 6 1 0 0 0 14 7 1 0 0 0 15 2 1 0 0 0 16 8 2 0 0 0 17 8 1 0 0 0 18 21 1 0 0 0 19 20 1 0 0 0 20 15 1 0 0 0 21 23 1 0 0 0 22 16 1 0 0 0 23 17 2 0 0 0 24 18 1 0 0 0 25 14 1 0 0 0 26 13 1 0 0 0 27 13 2 0 0 0 28 24 2 0 0 0 29 24 1 0 0 0 30 27 1 0 0 0 31 26 2 0 0 0 32 29 2 0 0 0 33 28 1 0 0 0 34 30 2 0 0 0 35 32 1 0 0 0 21 22 2 0 0 0 4 19 1 0 0 0 35 33 2 0 0 0 34 31 1 0 0 0 M END > 8.88605664769316 > 7.65757731917779 $$$$ Mrv0541 04051115152D 31 32 0 0 0 0 999 V2000 1.9134 0.0574 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2300 2.1199 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4844 0.8824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6590 -0.3551 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.9134 0.8824 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9445 0.0574 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0715 0.3594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2300 1.2949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2465 -1.0696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0568 -0.3551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1989 1.2949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3423 0.0574 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6279 2.1199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3423 0.8824 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0568 1.2949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6279 1.2949 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.5169 -2.0051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4844 0.0574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6279 -0.3551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2300 -0.3551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0568 -1.1801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9445 0.8824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1989 -0.3551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8024 -0.7676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4844 2.5324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3734 -0.7676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3734 -1.5926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0879 -0.3551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0879 -2.0051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8024 -1.5926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5169 -2.8301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 19 1 0 0 0 0 1 23 1 1 0 0 0 8 2 1 0 0 0 0 2 25 1 0 0 0 0 8 3 2 0 0 0 0 6 4 1 0 0 0 0 7 4 2 0 0 0 0 9 4 2 0 0 0 0 26 4 1 0 0 0 0 5 11 1 6 0 0 0 5 16 1 0 0 0 0 20 6 1 0 0 0 0 22 6 1 0 0 0 0 22 8 1 0 0 0 0 12 10 1 1 0 0 0 10 21 1 0 0 0 0 12 14 1 0 0 0 0 12 19 1 0 0 0 0 16 13 1 1 0 0 0 14 15 1 6 0 0 0 14 16 1 0 0 0 0 30 17 1 0 0 0 0 31 17 1 0 0 0 0 18 20 1 0 0 0 0 18 23 1 0 0 0 0 24 28 2 0 0 0 0 24 30 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 29 30 2 0 0 0 0 M END > 8.76955107862173 > 6.54363396687096 $$$$ 11280715232D 1 1.00000 0.00000 0 32 32 0 0 0 999 V2000 5.4500 -2.8625 0.0000 S 0 0 3 0 0 0 0 0 0 6.1625 -3.2500 0.0000 C 0 0 3 0 0 0 0 0 0 6.1792 -4.0667 0.0000 C 0 0 3 0 0 0 0 0 0 6.8917 -4.4542 0.0000 C 0 0 3 0 0 0 0 0 0 4.7500 -2.4542 0.0000 N 0 0 3 0 0 0 0 0 0 6.9167 -5.2667 0.0000 C 0 0 3 0 0 0 0 0 0 4.0417 -2.8625 0.0000 C 0 0 3 0 0 0 0 0 0 3.3292 -2.4542 0.0000 C 0 0 0 0 0 0 0 0 0 6.1417 -2.1292 0.0000 O 0 0 0 0 0 0 0 0 0 4.7042 -3.5750 0.0000 O 0 0 0 0 0 0 0 0 0 4.7500 -1.6417 0.0000 C 0 0 0 0 0 0 0 0 0 5.6042 -3.8375 0.0000 F 0 0 0 0 0 0 0 0 0 6.8542 -2.8292 0.0000 F 0 0 0 0 0 0 0 0 0 6.7417 -3.4667 0.0000 F 0 0 0 0 0 0 0 0 0 5.4875 -4.4667 0.0000 F 0 0 0 0 0 0 0 0 0 6.3292 -5.0417 0.0000 F 0 0 0 0 0 0 0 0 0 7.5875 -4.0292 0.0000 F 0 0 0 0 0 0 0 0 0 2.6292 -2.8625 0.0000 O 0 0 0 0 0 0 0 0 0 3.3292 -1.6417 0.0000 N 0 0 0 0 0 0 0 0 0 6.2125 -5.6917 0.0000 F 0 0 0 0 0 0 0 0 0 7.4792 -4.6750 0.0000 F 0 0 0 0 0 0 0 0 0 7.6292 -5.6542 0.0000 F 0 0 0 0 0 0 0 0 0 4.0417 -3.6750 0.0000 C 0 0 3 0 0 0 0 0 0 5.4500 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 2.6292 -1.2292 0.0000 O 0 0 0 0 0 0 0 0 0 3.3292 -4.0792 0.0000 C 0 0 0 0 0 0 0 0 0 4.4417 -4.3667 0.0000 C 0 0 0 0 0 0 0 0 0 6.1542 -1.6417 0.0000 C 0 0 0 0 0 0 0 0 0 5.4500 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 6.1417 -0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 6.8542 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 6.8542 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 1 1 0 0 0 6 4 1 0 0 0 7 5 1 0 0 0 8 7 1 0 0 0 9 1 2 0 0 0 10 1 2 0 0 0 11 5 1 0 0 0 12 2 1 0 0 0 13 2 1 0 0 0 14 3 1 0 0 0 15 3 1 0 0 0 16 4 1 0 0 0 17 4 1 0 0 0 18 8 2 0 0 0 19 8 1 0 0 0 20 6 1 0 0 0 21 6 1 0 0 0 22 6 1 0 0 0 23 7 1 0 0 0 24 11 1 0 0 0 25 19 1 0 0 0 26 23 1 0 0 0 27 23 1 0 0 0 28 24 2 0 0 0 29 24 1 0 0 0 30 29 2 0 0 0 31 28 1 0 0 0 32 30 1 0 0 0 31 32 2 0 0 0 M END > 8 > 8 $$$$ 11280715012D 1 1.00000 0.00000 0 29 31 0 0 0 999 V2000 2.5542 -4.2917 0.0000 S 0 0 3 0 0 0 0 0 0 1.8375 -3.8792 0.0000 N 0 0 0 0 0 0 0 0 0 1.1167 -4.2917 0.0000 C 0 0 3 0 0 0 0 0 0 0.4042 -3.8792 0.0000 C 0 0 0 0 0 0 0 0 0 3.2667 -3.8792 0.0000 C 0 0 0 0 0 0 0 0 0 1.1250 -5.1167 0.0000 C 0 0 3 0 0 0 0 0 0 1.9667 -4.8792 0.0000 O 0 0 0 0 0 0 0 0 0 3.1375 -4.8792 0.0000 O 0 0 0 0 0 0 0 0 0 4.7000 -3.0542 0.0000 C 0 0 0 0 0 0 0 0 0 5.4125 -2.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0.4042 -5.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0.4042 -3.0542 0.0000 O 0 0 0 0 0 0 0 0 0 3.9792 -4.2917 0.0000 C 0 0 0 0 0 0 0 0 0 3.2667 -3.0542 0.0000 C 0 0 0 0 0 0 0 0 0 4.7000 -3.8792 0.0000 C 0 0 0 0 0 0 0 0 0 3.9792 -2.6417 0.0000 C 0 0 0 0 0 0 0 0 0 5.4042 -1.8167 0.0000 C 0 0 0 0 0 0 0 0 0 6.1250 -3.0500 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3083 -4.2917 0.0000 O 0 0 0 0 0 0 0 0 0 6.8292 -1.8042 0.0000 C 0 0 0 0 0 0 0 0 0 6.1125 -1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 6.8375 -2.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0.4042 -6.3500 0.0000 C 0 0 3 0 0 0 0 0 0 -0.3083 -6.7542 0.0000 O 0 0 0 0 0 0 0 0 0 1.8375 -5.5250 0.0000 C 0 0 0 0 0 0 0 0 0 7.5417 -1.3917 0.0000 O 0 0 0 0 0 0 0 0 0 1.8292 -6.3500 0.0000 C 0 0 0 0 0 0 0 0 0 1.1167 -6.7625 0.0000 C 0 0 0 0 0 0 0 0 0 8.2625 -1.8042 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 1 1 0 0 0 6 3 1 0 0 0 7 1 2 0 0 0 8 1 2 0 0 0 9 16 2 0 0 0 10 9 1 0 0 0 11 6 1 0 0 0 12 4 2 0 0 0 13 5 1 0 0 0 14 5 2 0 0 0 15 13 2 0 0 0 16 14 1 0 0 0 17 10 1 0 0 0 18 10 2 0 0 0 19 4 1 0 0 0 20 22 2 0 0 0 21 17 2 0 0 0 22 18 1 0 0 0 23 11 1 0 0 0 24 23 1 0 0 0 25 6 1 0 0 0 26 20 1 0 0 0 27 25 1 0 0 0 28 27 1 0 0 0 29 26 1 0 0 0 15 9 1 0 0 0 23 28 1 0 0 0 21 20 1 0 0 0 M END > 7.26760624017703 > 5.27002571430044 $$$$ 11280715142D 1 1.00000 0.00000 0 34 37 0 0 0 999 V2000 6.6750 -5.0042 0.0000 S 0 0 3 0 0 0 0 0 0 6.3792 -5.7875 0.0000 N 0 0 3 0 0 0 0 0 0 5.3417 -7.3167 0.0000 N 0 0 3 0 0 0 0 0 0 5.5667 -5.8500 0.0000 C 0 0 3 0 0 0 0 0 0 4.7292 -7.8667 0.0000 C 0 0 0 0 0 0 0 0 0 5.1042 -6.5292 0.0000 C 0 0 0 0 0 0 0 0 0 6.9500 -6.3875 0.0000 C 0 0 0 0 0 0 0 0 0 6.1167 -7.6167 0.0000 C 0 0 0 0 0 0 0 0 0 5.1542 -5.1250 0.0000 C 0 0 0 0 0 0 0 0 0 6.8292 -7.2042 0.0000 C 0 0 0 0 0 0 0 0 0 6.9625 -4.2250 0.0000 C 0 0 0 0 0 0 0 0 0 7.5125 -5.0542 0.0000 O 0 0 0 0 0 0 0 0 0 6.0417 -4.3375 0.0000 O 0 0 0 0 0 0 0 0 0 3.9500 -7.6167 0.0000 O 0 0 0 0 0 0 0 0 0 5.5792 -4.4042 0.0000 O 0 0 0 0 0 0 0 0 0 4.9042 -8.6750 0.0000 C 0 0 3 0 0 0 0 0 0 4.3292 -5.1167 0.0000 N 0 0 0 0 0 0 0 0 0 6.4375 -3.5917 0.0000 C 0 0 0 0 0 0 0 0 0 7.7750 -4.0792 0.0000 C 0 0 0 0 0 0 0 0 0 7.5292 -2.6792 0.0000 C 0 0 0 0 0 0 0 0 0 8.0542 -3.3125 0.0000 C 0 0 0 0 0 0 0 0 0 6.7167 -2.8250 0.0000 C 0 0 0 0 0 0 0 0 0 3.9167 -4.4042 0.0000 O 0 0 0 0 0 0 0 0 0 7.5417 -7.6167 0.0000 C 0 0 0 0 0 0 0 0 0 6.1167 -8.4500 0.0000 C 0 0 0 0 0 0 0 0 0 7.8125 -1.8917 0.0000 O 0 0 0 0 0 0 0 0 0 4.3000 -9.2292 0.0000 C 0 0 0 0 0 0 0 0 0 5.6917 -8.9292 0.0000 C 0 0 0 0 0 0 0 0 0 7.2792 -1.2625 0.0000 C 0 0 0 0 0 0 0 0 0 7.5417 -8.4500 0.0000 C 0 0 0 0 0 0 0 0 0 6.8292 -8.8625 0.0000 C 0 0 0 0 0 0 0 0 0 5.8667 -9.7292 0.0000 C 0 0 0 0 0 0 0 0 0 4.4750 -10.0292 0.0000 C 0 0 0 0 0 0 0 0 0 5.2542 -10.2875 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 6 1 0 0 0 4 2 1 0 0 0 5 3 1 0 0 0 6 4 1 0 0 0 7 2 1 0 0 0 8 10 1 0 0 0 9 4 1 0 0 0 10 7 1 0 0 0 11 1 1 0 0 0 12 1 2 0 0 0 13 1 2 0 0 0 14 5 2 0 0 0 15 9 2 0 0 0 16 5 1 0 0 0 17 9 1 0 0 0 18 11 1 0 0 0 19 11 2 0 0 0 20 21 2 0 0 0 21 19 1 0 0 0 22 18 2 0 0 0 23 17 1 0 0 0 24 10 2 0 0 0 25 8 2 0 0 0 26 20 1 0 0 0 27 16 1 0 0 0 28 16 1 0 0 0 29 26 1 0 0 0 30 24 1 0 0 0 31 30 2 0 0 0 32 28 1 0 0 0 33 27 1 0 0 0 34 32 1 0 0 0 20 22 1 0 0 0 3 8 1 0 0 0 31 25 1 0 0 0 34 33 1 0 0 0 M END > 8.15490195998574 > 6.33254704711005 $$$$ 11280715082D 1 1.00000 0.00000 0 26 27 0 0 0 999 V2000 7.7042 -2.3000 0.0000 C 0 0 3 0 0 0 0 0 0 6.9917 -2.7167 0.0000 S 0 0 3 0 0 0 0 0 0 8.4292 -2.7000 0.0000 C 0 0 0 0 0 0 0 0 0 7.0000 -1.8917 0.0000 C 0 0 0 0 0 0 0 0 0 8.4167 -1.8917 0.0000 C 0 0 0 0 0 0 0 0 0 6.2792 -2.3042 0.0000 C 0 0 0 0 0 0 0 0 0 7.7042 -0.6500 0.0000 N 0 0 3 0 0 0 0 0 0 7.5792 -3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 6.4042 -3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 8.4250 0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 8.4417 -3.5250 0.0000 O 0 0 0 0 0 0 0 0 0 9.1375 -2.2792 0.0000 N 0 0 0 0 0 0 0 0 0 8.4167 -1.0667 0.0000 C 0 0 0 0 0 0 0 0 0 7.0000 -1.0667 0.0000 C 0 0 0 0 0 0 0 0 0 8.4250 1.4125 0.0000 C 0 0 0 0 0 0 0 0 0 7.7042 0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 6.2792 -1.4750 0.0000 C 0 0 0 0 0 0 0 0 0 5.5625 -2.7167 0.0000 C 0 0 0 0 0 0 0 0 0 4.8500 -1.4750 0.0000 C 0 0 0 0 0 0 0 0 0 5.5625 -1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 4.8500 -2.3042 0.0000 C 0 0 0 0 0 0 0 0 0 9.8542 -2.6792 0.0000 O 0 0 0 0 0 0 0 0 0 4.1292 -1.0625 0.0000 O 0 0 0 0 0 0 0 0 0 9.1375 1.8250 0.0000 C 0 0 0 0 0 0 0 0 0 7.7042 1.8250 0.0000 C 0 0 0 0 0 0 0 0 0 3.4167 -1.4750 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 1 1 0 0 0 5 1 1 0 0 0 6 2 1 0 0 0 7 13 1 0 0 0 8 2 2 0 0 0 9 2 2 0 0 0 10 16 1 0 0 0 11 3 2 0 0 0 12 3 1 0 0 0 13 5 1 0 0 0 14 4 1 0 0 0 15 10 2 0 0 0 16 7 1 0 0 0 17 6 1 0 0 0 18 6 2 0 0 0 19 21 2 0 0 0 20 17 2 0 0 0 21 18 1 0 0 0 22 12 1 0 0 0 23 19 1 0 0 0 24 15 1 0 0 0 25 15 1 0 0 0 26 23 1 0 0 0 14 7 1 0 0 0 20 19 1 0 0 0 M END > 8.15490195998574 > 5.85698519974591 $$$$ 11280714532D 1 1.00000 0.00000 0 31 33 0 0 0 999 V2000 2.8375 0.6333 0.0000 S 0 0 3 0 0 0 0 0 0 2.8417 -1.0250 0.0000 C 0 0 0 0 0 0 0 0 0 2.1292 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 2.1292 0.2083 0.0000 N 0 0 3 0 0 0 0 0 0 2.8500 -1.8542 0.0000 C 0 0 0 0 0 0 0 0 0 4.1167 -1.4292 0.0000 N 0 0 0 0 0 0 0 0 0 3.6375 -2.1042 0.0000 N 0 0 3 0 0 0 0 0 0 3.6292 -0.7667 0.0000 C 0 0 0 0 0 0 0 0 0 1.4167 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 2.1292 -2.2667 0.0000 N 0 0 0 0 0 0 0 0 0 0.7042 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 1.4167 -1.8542 0.0000 C 0 0 0 0 0 0 0 0 0 3.5542 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 2.4167 1.3458 0.0000 O 0 0 0 0 0 0 0 0 0 3.2417 -0.0792 0.0000 O 0 0 0 0 0 0 0 0 0 7.1292 2.2708 0.0000 C 0 0 0 0 0 0 0 0 0 7.8417 2.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0.7042 0.2083 0.0000 O 0 0 0 0 0 0 0 0 0 -0.0083 -1.0292 0.0000 N 0 0 0 0 0 0 0 0 0 3.5625 1.8583 0.0000 C 0 0 0 0 0 0 0 0 0 4.2625 0.6083 0.0000 C 0 0 0 0 0 0 0 0 0 1.4042 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 3.8917 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 4.9917 1.8375 0.0000 C 0 0 0 0 0 0 0 0 0 3.8792 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 4.9792 1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 4.2792 2.2583 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7208 -0.6167 0.0000 O 0 0 0 0 0 0 0 0 0 6.4167 1.8500 0.0000 C 0 0 0 0 0 0 0 0 0 5.7042 2.2583 0.0000 O 0 0 0 0 0 0 0 0 0 8.5542 3.1083 0.0000 C 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 1 1 0 0 0 5 2 1 0 0 0 6 8 2 0 0 0 7 5 1 0 0 0 8 2 1 0 0 0 9 3 1 0 0 0 10 12 1 0 0 0 11 9 1 0 0 0 12 9 2 0 0 0 13 1 1 0 0 0 14 1 2 0 0 0 15 1 2 0 0 0 16 29 1 0 0 0 17 16 3 0 0 0 18 11 2 0 0 0 19 11 1 0 0 0 20 13 1 0 0 0 21 13 2 0 0 0 22 4 1 0 0 0 23 7 1 0 0 0 24 26 2 0 0 0 25 8 1 0 0 0 26 21 1 0 0 0 27 20 2 0 0 0 28 19 1 0 0 0 29 30 1 0 0 0 30 24 1 0 0 0 31 17 1 0 0 0 27 24 1 0 0 0 5 10 2 0 0 0 6 7 1 0 0 0 M END > 7 > 6 $$$$ 11280715332D 1 1.00000 0.00000 0 30 32 0 1 0 999 V2000 5.7917 -2.8375 0.0000 S 0 0 3 0 0 0 0 0 0 6.0792 -3.6167 0.0000 N 0 0 3 0 0 0 0 0 0 5.5542 -4.2500 0.0000 C 0 0 1 0 0 0 0 0 0 6.7875 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 4.7292 -4.2042 0.0000 C 0 0 0 0 0 0 0 0 0 6.8417 -3.9250 0.0000 C 0 0 0 0 0 0 0 0 0 5.9917 -4.9417 0.0000 C 0 0 0 0 0 0 0 0 0 7.4125 -5.2875 0.0000 N 0 0 0 0 0 0 0 0 0 6.5750 -2.5500 0.0000 C 0 0 0 0 0 0 0 0 0 8.1875 -5.0167 0.0000 N 0 0 3 0 0 0 0 0 0 5.5042 -2.0542 0.0000 O 0 0 0 0 0 0 0 0 0 5.0167 -3.1250 0.0000 O 0 0 0 0 0 0 0 0 0 4.3542 -3.4667 0.0000 O 0 0 0 0 0 0 0 0 0 4.2750 -4.9000 0.0000 N 0 0 0 0 0 0 0 0 0 9.7417 -4.4667 0.0000 O 0 0 0 0 0 0 0 0 0 7.2042 -3.0750 0.0000 C 0 0 0 0 0 0 0 0 0 6.7167 -1.7375 0.0000 C 0 0 0 0 0 0 0 0 0 8.8125 -5.5542 0.0000 C 0 0 0 0 0 0 0 0 0 8.3417 -4.2042 0.0000 C 0 0 0 0 0 0 0 0 0 8.1167 -1.9792 0.0000 C 0 0 0 0 0 0 0 0 0 7.4875 -1.4542 0.0000 C 0 0 0 0 0 0 0 0 0 7.9750 -2.7917 0.0000 C 0 0 0 0 0 0 0 0 0 3.4500 -4.8542 0.0000 O 0 0 0 0 0 0 0 0 0 8.9042 -1.7000 0.0000 O 0 0 0 0 0 0 0 0 0 9.1167 -3.9292 0.0000 C 0 0 0 0 0 0 0 0 0 9.5875 -5.2792 0.0000 C 0 0 0 0 0 0 0 0 0 9.5375 -2.2292 0.0000 C 0 0 0 0 0 0 0 0 0 10.3125 -1.9542 0.0000 C 0 0 0 0 0 0 0 0 0 10.9417 -2.4875 0.0000 C 0 0 0 0 0 0 0 0 0 11.7125 -2.2125 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 6 1 0 0 0 5 3 1 0 0 0 6 2 1 0 0 0 3 7 1 6 0 0 8 4 2 0 0 0 9 1 1 0 0 0 10 8 1 0 0 0 11 1 2 0 0 0 12 1 2 0 0 0 13 5 2 0 0 0 14 5 1 0 0 0 15 25 1 0 0 0 16 9 2 0 0 0 17 9 1 0 0 0 18 10 1 0 0 0 19 10 1 0 0 0 20 21 1 0 0 0 21 17 2 0 0 0 22 16 1 0 0 0 23 14 1 0 0 0 24 20 1 0 0 0 25 19 1 0 0 0 26 18 1 0 0 0 27 24 1 0 0 0 28 27 1 0 0 0 29 28 1 0 0 0 30 29 1 0 0 0 20 22 2 0 0 0 4 7 1 0 0 0 26 15 1 0 0 0 M END > 9 > 6.53313237964589 $$$$ CDK 5/12/10,14:52 29 31 0 0 0 0 0 0 0 0999 V2000 4.0652 -12.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0641 -12.9482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7789 -13.3610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4953 -12.9477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4925 -12.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7771 -11.7080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7746 -10.8830 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4879 -10.4684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3542 -10.1625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9708 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2014 -10.8812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9142 -10.4672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9122 -9.6413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1914 -9.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4816 -9.6475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6248 -9.2258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3411 -9.6352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3507 -11.7085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6363 -12.1211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9217 -11.7088 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6365 -12.9461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2074 -12.1215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3424 -10.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0578 -10.8688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7715 -10.4531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7653 -9.6239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0493 -9.2183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4883 -10.8616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4930 -11.6866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6 7 1 0 0 0 0 14 15 2 0 0 0 0 15 8 1 0 0 0 0 3 4 2 0 0 0 0 13 16 1 0 0 0 0 7 8 1 0 0 0 0 16 17 1 0 0 0 0 1 18 1 0 0 0 0 7 9 2 0 0 0 0 18 19 1 0 0 0 0 4 5 1 0 0 0 0 19 20 1 0 0 0 0 7 10 2 0 0 0 0 19 21 2 0 0 0 0 2 3 1 0 0 0 0 20 22 1 0 0 0 0 8 11 2 0 0 0 0 17 23 2 0 0 0 0 5 6 2 0 0 0 0 23 24 1 0 0 0 0 11 12 1 0 0 0 0 24 25 2 0 0 0 0 6 1 1 0 0 0 0 25 26 1 0 0 0 0 12 13 2 0 0 0 0 26 27 2 0 0 0 0 27 17 1 0 0 0 0 1 2 2 0 0 0 0 25 28 1 0 0 0 0 13 14 1 0 0 0 0 28 29 1 0 0 0 0 M END > 8.38721614328026 > 5.45593195564972 $$$$ 11280715302D 1 1.00000 0.00000 0 29 31 0 1 0 999 V2000 7.1750 -8.9917 0.0000 S 0 0 3 0 0 0 0 0 0 7.1667 -9.8167 0.0000 N 0 0 3 0 0 0 0 0 0 6.4167 -10.1667 0.0000 C 0 0 1 0 0 0 0 0 0 5.7792 -9.6500 0.0000 C 0 0 0 0 0 0 0 0 0 6.2250 -10.9792 0.0000 C 0 0 3 0 0 0 0 0 0 7.1750 -8.1667 0.0000 C 0 0 0 0 0 0 0 0 0 6.3500 -8.9792 0.0000 O 0 0 0 0 0 0 0 0 0 8.0000 -8.9917 0.0000 O 0 0 0 0 0 0 0 0 0 6.7792 -11.6500 0.0000 S 0 0 0 0 0 0 0 0 0 5.7750 -8.8250 0.0000 O 0 0 0 0 0 0 0 0 0 7.1542 -6.5042 0.0000 C 0 0 0 0 0 0 0 0 0 7.1500 -5.6792 0.0000 C 0 0 0 0 0 0 0 0 0 5.0375 -10.0000 0.0000 N 0 0 0 0 0 0 0 0 0 6.4542 -7.7667 0.0000 C 0 0 0 0 0 0 0 0 0 7.8917 -7.7417 0.0000 C 0 0 0 0 0 0 0 0 0 7.9125 -10.1875 0.0000 C 0 0 0 0 0 0 0 0 0 7.8792 -6.9167 0.0000 C 0 0 0 0 0 0 0 0 0 6.4417 -6.9417 0.0000 C 0 0 0 0 0 0 0 0 0 7.8625 -5.2667 0.0000 C 0 0 0 0 0 0 0 0 0 6.4292 -5.2875 0.0000 C 0 0 0 0 0 0 0 0 0 7.1417 -4.0292 0.0000 C 0 0 0 0 0 0 0 0 0 6.4167 -4.4625 0.0000 C 0 0 0 0 0 0 0 0 0 7.8542 -4.4417 0.0000 C 0 0 0 0 0 0 0 0 0 7.1292 -3.2042 0.0000 F 0 0 0 0 0 0 0 0 0 4.3542 -9.5292 0.0000 O 0 0 0 0 0 0 0 0 0 8.0792 -10.9917 0.0000 C 0 0 0 0 0 0 0 0 0 7.5625 -11.6417 0.0000 C 0 0 0 0 0 0 0 0 0 5.4167 -10.7542 0.0000 C 0 0 0 0 0 0 0 0 0 5.6375 -11.5542 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 3 4 1 6 0 0 5 3 1 0 0 0 6 1 1 0 0 0 7 1 2 0 0 0 8 1 2 0 0 0 9 5 1 0 0 0 10 4 2 0 0 0 11 17 2 0 0 0 12 11 1 0 0 0 13 4 1 0 0 0 14 6 1 0 0 0 15 6 2 0 0 0 16 2 1 0 0 0 17 15 1 0 0 0 18 14 2 0 0 0 19 12 2 0 0 0 20 12 1 0 0 0 21 22 1 0 0 0 22 20 2 0 0 0 23 19 1 0 0 0 24 21 1 0 0 0 25 13 1 0 0 0 26 16 1 0 0 0 27 26 1 0 0 0 28 5 1 0 0 0 29 5 1 0 0 0 11 18 1 0 0 0 27 9 1 0 0 0 21 23 2 0 0 0 M END > 9 > 8.53760200210104 $$$$ 11280715512D 1 1.00000 0.00000 0 29 30 0 1 0 999 V2000 -1.3672 -7.1327 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3684 -7.9595 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6540 -8.3721 0.0000 C 0 0 0 0 0 0 0 0 0 0.0620 -7.9591 0.0000 C 0 0 0 0 0 0 0 0 0 0.0591 -7.1290 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6558 -6.7202 0.0000 C 0 0 0 0 0 0 0 0 0 -2.0868 -8.3837 0.0000 S 0 0 3 0 0 0 0 0 0 -2.8106 -8.8066 0.0000 N 0 0 3 0 0 0 0 0 0 -1.6617 -9.1039 0.0000 O 0 0 0 0 0 0 0 0 0 -2.5144 -7.6624 0.0000 O 0 0 0 0 0 0 0 0 0 -3.5346 -8.4010 0.0000 C 0 0 2 0 0 0 0 0 0 -4.2438 -8.8205 0.0000 C 0 0 3 0 0 0 0 0 0 -4.2352 -9.6513 0.0000 S 0 0 0 0 0 0 0 0 0 -3.5029 -10.0528 0.0000 C 0 0 0 0 0 0 0 0 0 -2.7957 -9.6359 0.0000 C 0 0 0 0 0 0 0 0 0 -3.5497 -7.5766 0.0000 C 0 0 0 0 0 0 0 0 0 -2.8474 -7.1522 0.0000 O 0 0 0 0 0 0 0 0 0 -4.2753 -7.1725 0.0000 N 0 0 0 0 0 0 0 0 0 -4.2862 -6.3481 0.0000 O 0 0 0 0 0 0 0 0 0 0.7763 -6.7080 0.0000 O 0 0 0 0 0 0 0 0 0 1.4903 -7.1257 0.0000 C 0 0 0 0 0 0 0 0 0 1.4802 -7.9511 0.0000 C 0 0 0 0 0 0 0 0 0 1.4759 -8.7816 0.0000 C 0 0 0 0 0 0 0 0 0 -4.4595 -8.0238 0.0000 C 0 0 0 0 0 0 0 0 0 -5.0674 -8.7733 0.0000 C 0 0 0 0 0 0 0 0 0 1.4717 -9.6061 0.0000 C 0 0 0 0 0 0 0 0 0 0.7556 -10.0146 0.0000 C 0 0 0 0 0 0 0 0 0 0.0437 -9.5987 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6725 -10.0072 0.0000 C 0 0 0 0 0 0 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 3 4 2 0 0 0 11 16 1 0 0 0 7 8 1 0 0 0 16 17 2 0 0 0 16 18 1 0 0 0 7 9 2 0 0 0 18 19 1 0 0 0 4 5 1 0 0 0 5 20 1 0 0 0 7 10 2 0 0 0 20 21 1 0 0 0 8 11 1 0 0 0 21 22 1 0 0 0 2 3 1 0 0 0 22 23 3 0 0 0 5 6 2 0 0 0 12 24 1 0 0 0 6 1 1 0 0 0 12 25 1 0 0 0 1 2 2 0 0 0 23 26 1 0 0 0 2 7 1 0 0 0 26 27 1 0 0 0 8 15 1 0 0 0 27 28 1 0 0 0 11 12 1 6 0 0 28 29 1 0 0 0 M END > 8.15490195998574 > 7.53760200210104 $$$$ 11280715082D 1 1.00000 0.00000 0 34 37 0 0 0 999 V2000 9.0167 -11.3917 0.0000 C 0 0 3 0 0 0 0 0 0 8.3042 -11.8125 0.0000 S 0 0 3 0 0 0 0 0 0 9.7375 -11.7917 0.0000 C 0 0 0 0 0 0 0 0 0 8.3042 -10.9875 0.0000 C 0 0 0 0 0 0 0 0 0 9.7292 -10.9875 0.0000 C 0 0 0 0 0 0 0 0 0 7.5875 -11.4000 0.0000 C 0 0 0 0 0 0 0 0 0 9.0167 -9.7417 0.0000 N 0 0 3 0 0 0 0 0 0 8.8875 -12.3917 0.0000 O 0 0 0 0 0 0 0 0 0 7.7167 -12.3917 0.0000 O 0 0 0 0 0 0 0 0 0 11.8667 -6.4500 0.0000 N 0 0 0 0 0 0 0 0 0 9.7500 -12.6167 0.0000 O 0 0 0 0 0 0 0 0 0 11.1625 -7.6792 0.0000 C 0 0 0 0 0 0 0 0 0 11.8750 -7.2667 0.0000 C 0 0 0 0 0 0 0 0 0 10.4417 -11.3750 0.0000 N 0 0 0 0 0 0 0 0 0 9.7292 -10.1625 0.0000 C 0 0 0 0 0 0 0 0 0 8.3042 -10.1625 0.0000 C 0 0 0 0 0 0 0 0 0 7.5875 -10.5667 0.0000 C 0 0 0 0 0 0 0 0 0 6.8667 -11.8125 0.0000 C 0 0 0 0 0 0 0 0 0 9.0167 -8.9167 0.0000 C 0 0 0 0 0 0 0 0 0 11.1542 -8.5125 0.0000 C 0 0 0 0 0 0 0 0 0 10.4417 -7.2750 0.0000 C 0 0 0 0 0 0 0 0 0 9.7292 -8.5042 0.0000 C 0 0 0 0 0 0 0 0 0 6.1542 -10.5750 0.0000 C 0 0 0 0 0 0 0 0 0 10.4417 -8.9250 0.0000 C 0 0 0 0 0 0 0 0 0 9.7292 -7.6875 0.0000 C 0 0 0 0 0 0 0 0 0 6.8667 -10.1542 0.0000 C 0 0 0 0 0 0 0 0 0 6.1542 -11.4000 0.0000 C 0 0 0 0 0 0 0 0 0 11.1667 -11.7750 0.0000 O 0 0 0 0 0 0 0 0 0 5.4417 -10.1542 0.0000 O 0 0 0 0 0 0 0 0 0 12.5792 -6.0375 0.0000 C 0 0 0 0 0 0 0 0 0 12.5875 -7.6875 0.0000 C 0 0 0 0 0 0 0 0 0 4.7292 -10.5667 0.0000 C 0 0 0 0 0 0 0 0 0 13.3000 -6.4417 0.0000 C 0 0 0 0 0 0 0 0 0 13.3000 -7.2750 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 1 1 0 0 0 5 1 1 0 0 0 6 2 1 0 0 0 7 15 1 0 0 0 8 2 2 0 0 0 9 2 2 0 0 0 10 13 1 0 0 0 11 3 2 0 0 0 12 21 1 0 0 0 13 12 1 0 0 0 14 3 1 0 0 0 15 5 1 0 0 0 16 4 1 0 0 0 17 6 1 0 0 0 18 6 2 0 0 0 19 7 1 0 0 0 20 24 1 0 0 0 21 25 2 0 0 0 22 19 1 0 0 0 23 27 2 0 0 0 24 22 2 0 0 0 25 22 1 0 0 0 26 17 2 0 0 0 27 18 1 0 0 0 28 14 1 0 0 0 29 23 1 0 0 0 30 10 2 0 0 0 31 13 2 0 0 0 32 29 1 0 0 0 33 34 2 0 0 0 34 31 1 0 0 0 16 7 1 0 0 0 26 23 1 0 0 0 20 12 2 0 0 0 30 33 1 0 0 0 M END > 8.69897000433602 > 6.37468754903833 $$$$ 11280715082D 1 1.00000 0.00000 0 23 24 0 0 0 999 V2000 -1.1708 -7.6542 0.0000 C 0 0 3 0 0 0 0 0 0 -1.8833 -8.0750 0.0000 S 0 0 3 0 0 0 0 0 0 -0.4458 -8.0542 0.0000 C 0 0 0 0 0 0 0 0 0 -1.8750 -7.2500 0.0000 C 0 0 0 0 0 0 0 0 0 -0.4583 -7.2500 0.0000 C 0 0 0 0 0 0 0 0 0 -2.5958 -7.6625 0.0000 C 0 0 0 0 0 0 0 0 0 -1.2958 -8.6542 0.0000 O 0 0 0 0 0 0 0 0 0 -2.4708 -8.6542 0.0000 O 0 0 0 0 0 0 0 0 0 -1.1708 -6.0042 0.0000 N 0 0 3 0 0 0 0 0 0 -0.4333 -8.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0.2625 -7.6375 0.0000 N 0 0 0 0 0 0 0 0 0 -1.8750 -6.4250 0.0000 C 0 0 0 0 0 0 0 0 0 -0.4583 -6.4250 0.0000 C 0 0 0 0 0 0 0 0 0 -3.3125 -8.0750 0.0000 C 0 0 0 0 0 0 0 0 0 -2.5958 -6.8292 0.0000 C 0 0 0 0 0 0 0 0 0 -4.0333 -6.8375 0.0000 C 0 0 0 0 0 0 0 0 0 -4.0333 -7.6625 0.0000 C 0 0 0 0 0 0 0 0 0 -3.3125 -6.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0.9792 -8.0375 0.0000 O 0 0 0 0 0 0 0 0 0 -4.7458 -6.4167 0.0000 O 0 0 0 0 0 0 0 0 0 -1.1708 -5.1792 0.0000 C 0 0 0 0 0 0 0 0 0 -5.4583 -6.8292 0.0000 C 0 0 0 0 0 0 0 0 0 -0.4500 -4.7667 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 1 1 0 0 0 5 1 1 0 0 0 6 2 1 0 0 0 7 2 2 0 0 0 8 2 2 0 0 0 9 13 1 0 0 0 10 3 2 0 0 0 11 3 1 0 0 0 12 4 1 0 0 0 13 5 1 0 0 0 14 6 2 0 0 0 15 6 1 0 0 0 16 18 1 0 0 0 17 14 1 0 0 0 18 15 2 0 0 0 19 11 1 0 0 0 20 16 1 0 0 0 21 9 1 0 0 0 22 20 1 0 0 0 23 21 1 0 0 0 12 9 1 0 0 0 16 17 2 0 0 0 M END > 7.48148606012211 > 5.43415218132648 $$$$ 11280715082D 1 1.00000 0.00000 0 40 43 0 0 0 999 V2000 1.5542 -10.0500 0.0000 C 0 0 3 0 0 0 0 0 0 0.8417 -10.4667 0.0000 S 0 0 3 0 0 0 0 0 0 2.2750 -10.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0.8417 -9.6417 0.0000 C 0 0 0 0 0 0 0 0 0 2.2667 -9.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0.1250 -10.0542 0.0000 C 0 0 0 0 0 0 0 0 0 1.5542 -8.4000 0.0000 N 0 0 3 0 0 0 0 0 0 1.4250 -11.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0.2542 -11.0500 0.0000 O 0 0 0 0 0 0 0 0 0 6.5542 -6.3375 0.0000 N 0 0 3 0 0 0 0 0 0 2.2875 -11.2750 0.0000 O 0 0 0 0 0 0 0 0 0 2.9792 -10.0292 0.0000 N 0 0 0 0 0 0 0 0 0 2.2667 -8.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0.8417 -8.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0.1250 -9.2250 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5958 -10.4667 0.0000 C 0 0 0 0 0 0 0 0 0 1.5542 -7.5750 0.0000 C 0 0 0 0 0 0 0 0 0 2.2667 -7.1625 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3083 -9.2250 0.0000 C 0 0 0 0 0 0 0 0 0 3.7000 -6.3375 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3083 -10.0542 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5958 -8.8125 0.0000 C 0 0 0 0 0 0 0 0 0 3.7042 -10.4292 0.0000 O 0 0 0 0 0 0 0 0 0 2.2667 -6.3417 0.0000 C 0 0 0 0 0 0 0 0 0 2.9792 -7.5792 0.0000 C 0 0 0 0 0 0 0 0 0 3.6917 -7.1667 0.0000 C 0 0 0 0 0 0 0 0 0 2.9792 -5.9292 0.0000 C 0 0 0 0 0 0 0 0 0 4.4125 -5.9250 0.0000 O 0 0 0 0 0 0 0 0 0 5.8417 -5.9250 0.0000 C 0 0 0 0 0 0 0 0 0 5.1250 -6.3375 0.0000 C 0 0 0 0 0 0 0 0 0 -2.0208 -8.8125 0.0000 O 0 0 0 0 0 0 0 0 0 6.5500 -7.1625 0.0000 C 0 0 0 0 0 0 0 0 0 7.2625 -5.9167 0.0000 C 0 0 0 0 0 0 0 0 0 -2.7333 -9.2250 0.0000 C 0 0 0 0 0 0 0 0 0 -3.4500 -8.8125 0.0000 C 0 0 0 0 0 0 0 0 0 -4.1625 -9.2250 0.0000 C 0 0 0 0 0 0 0 0 0 7.9792 -6.3375 0.0000 C 0 0 0 0 0 0 0 0 0 7.2625 -7.5667 0.0000 C 0 0 0 0 0 0 0 0 0 -4.8833 -8.8125 0.0000 C 0 0 0 0 0 0 0 0 0 7.9792 -7.1625 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 1 1 0 0 0 5 1 1 0 0 0 6 2 1 0 0 0 7 13 1 0 0 0 8 2 2 0 0 0 9 2 2 0 0 0 10 29 1 0 0 0 11 3 2 0 0 0 12 3 1 0 0 0 13 5 1 0 0 0 14 4 1 0 0 0 15 6 1 0 0 0 16 6 2 0 0 0 17 7 1 0 0 0 18 17 1 0 0 0 19 21 2 0 0 0 20 26 2 0 0 0 21 16 1 0 0 0 22 15 2 0 0 0 23 12 1 0 0 0 24 18 1 0 0 0 25 18 2 0 0 0 26 25 1 0 0 0 27 24 2 0 0 0 28 20 1 0 0 0 29 30 1 0 0 0 30 28 1 0 0 0 31 19 1 0 0 0 32 10 1 0 0 0 33 10 1 0 0 0 34 31 1 0 0 0 35 34 1 0 0 0 36 35 1 0 0 0 37 33 1 0 0 0 38 32 1 0 0 0 39 36 1 0 0 0 40 37 1 0 0 0 14 7 1 0 0 0 22 19 1 0 0 0 27 20 1 0 0 0 38 40 1 0 0 0 M END > 9 > 5.70996538863748 $$$$ 11280715022D 1 1.00000 0.00000 0 36 39 0 0 0 999 V2000 2.7125 -4.2292 0.0000 S 0 0 3 0 0 0 0 0 0 1.9917 -3.8167 0.0000 N 0 0 0 0 0 0 0 0 0 1.2792 -4.2292 0.0000 C 0 0 3 0 0 0 0 0 0 0.5667 -3.8167 0.0000 C 0 0 0 0 0 0 0 0 0 3.4292 -3.8167 0.0000 C 0 0 0 0 0 0 0 0 0 1.2792 -5.0542 0.0000 C 0 0 3 0 0 0 0 0 0 2.1250 -4.8125 0.0000 O 0 0 0 0 0 0 0 0 0 3.2917 -4.8125 0.0000 O 0 0 0 0 0 0 0 0 0 4.8542 -2.9875 0.0000 C 0 0 0 0 0 0 0 0 0 5.5667 -2.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0.5625 -5.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0.5625 -2.9917 0.0000 O 0 0 0 0 0 0 0 0 0 -0.1500 -6.6917 0.0000 N 0 0 0 0 0 0 0 0 0 3.4292 -2.9875 0.0000 C 0 0 0 0 0 0 0 0 0 4.1417 -4.2292 0.0000 C 0 0 0 0 0 0 0 0 0 4.1417 -2.5750 0.0000 C 0 0 0 0 0 0 0 0 0 4.8542 -3.8167 0.0000 C 0 0 0 0 0 0 0 0 0 6.2792 -2.9792 0.0000 C 0 0 0 0 0 0 0 0 0 5.5625 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1500 -4.2292 0.0000 O 0 0 0 0 0 0 0 0 0 0.5625 -6.2792 0.0000 C 0 0 3 0 0 0 0 0 0 -0.1583 -7.5167 0.0000 C 0 0 0 0 0 0 0 0 0 6.9917 -1.7417 0.0000 C 0 0 0 0 0 0 0 0 0 6.9917 -2.5667 0.0000 C 0 0 0 0 0 0 0 0 0 6.2667 -1.3292 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8708 -7.9292 0.0000 C 0 0 0 0 0 0 0 0 0 1.9917 -5.4542 0.0000 C 0 0 0 0 0 0 0 0 0 7.7042 -1.3250 0.0000 O 0 0 0 0 0 0 0 0 0 1.9917 -6.2792 0.0000 C 0 0 0 0 0 0 0 0 0 1.2750 -6.6917 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5833 -7.5125 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8708 -8.7500 0.0000 C 0 0 0 0 0 0 0 0 0 8.4167 -1.7375 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5833 -9.1625 0.0000 C 0 0 0 0 0 0 0 0 0 -2.2958 -7.9250 0.0000 C 0 0 0 0 0 0 0 0 0 -2.2958 -8.7500 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 1 1 0 0 0 6 3 1 0 0 0 7 1 2 0 0 0 8 1 2 0 0 0 9 17 1 0 0 0 10 9 1 0 0 0 11 6 1 0 0 0 12 4 2 0 0 0 13 21 1 0 0 0 14 5 2 0 0 0 15 5 1 0 0 0 16 14 1 0 0 0 17 15 2 0 0 0 18 10 2 0 0 0 19 10 1 0 0 0 20 4 1 0 0 0 21 11 1 0 0 0 22 13 1 0 0 0 23 25 1 0 0 0 24 18 1 0 0 0 25 19 2 0 0 0 26 22 1 0 0 0 27 6 1 0 0 0 28 23 1 0 0 0 29 27 1 0 0 0 30 29 1 0 0 0 31 26 2 0 0 0 32 26 1 0 0 0 33 28 1 0 0 0 34 32 2 0 0 0 35 31 1 0 0 0 36 34 1 0 0 0 16 9 2 0 0 0 21 30 1 0 0 0 24 23 2 0 0 0 35 36 2 0 0 0 M END > 7.17392519729917 > 5.09908693226233 $$$$ 11280715132D 1 1.00000 0.00000 0 29 31 0 0 0 999 V2000 4.4167 -5.0375 0.0000 S 0 0 3 0 0 0 0 0 0 2.9792 -5.0417 0.0000 C 0 0 3 0 0 0 0 0 0 3.6917 -4.6292 0.0000 C 0 0 0 0 0 0 0 0 0 2.2542 -4.6417 0.0000 C 0 0 0 0 0 0 0 0 0 5.2125 -4.8125 0.0000 C 0 0 0 0 0 0 0 0 0 4.2042 -5.8292 0.0000 O 0 0 0 0 0 0 0 0 0 4.6125 -4.2292 0.0000 O 0 0 0 0 0 0 0 0 0 2.9750 -3.5667 0.0000 C 0 0 0 0 0 0 0 0 0 2.2542 -3.8167 0.0000 O 0 0 0 0 0 0 0 0 0 2.9917 -5.8667 0.0000 N 0 0 0 0 0 0 0 0 0 1.5542 -5.0625 0.0000 N 0 0 0 0 0 0 0 0 0 5.8042 -5.3875 0.0000 C 0 0 0 0 0 0 0 0 0 5.4167 -4.0042 0.0000 C 0 0 0 0 0 0 0 0 0 7.5917 -4.1292 0.0000 O 0 0 0 0 0 0 0 0 0 6.8000 -4.3542 0.0000 C 0 0 0 0 0 0 0 0 0 6.6000 -5.1625 0.0000 C 0 0 0 0 0 0 0 0 0 6.2042 -3.7792 0.0000 C 0 0 0 0 0 0 0 0 0 8.1875 -4.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0.8292 -4.6542 0.0000 O 0 0 0 0 0 0 0 0 0 2.2542 -3.1500 0.0000 C 0 0 0 0 0 0 0 0 0 3.6875 -3.1500 0.0000 C 0 0 0 0 0 0 0 0 0 7.9875 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 8.9750 -4.4667 0.0000 C 0 0 0 0 0 0 0 0 0 2.2542 -2.3250 0.0000 C 0 0 0 0 0 0 0 0 0 3.6875 -2.3167 0.0000 C 0 0 0 0 0 0 0 0 0 9.5667 -5.0375 0.0000 C 0 0 0 0 0 0 0 0 0 8.5792 -6.0667 0.0000 C 0 0 0 0 0 0 0 0 0 2.9667 -1.9125 0.0000 C 0 0 0 0 0 0 0 0 0 9.3667 -5.8417 0.0000 C 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 3 1 1 0 0 0 4 2 1 0 0 0 5 1 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 2 1 0 0 0 9 4 2 0 0 0 10 2 1 0 0 0 11 4 1 0 0 0 12 5 1 0 0 0 13 5 2 0 0 0 14 15 1 0 0 0 15 17 2 0 0 0 16 12 2 0 0 0 17 13 1 0 0 0 18 14 1 0 0 0 19 11 1 0 0 0 20 8 1 0 0 0 21 8 2 0 0 0 22 18 2 0 0 0 23 18 1 0 0 0 24 20 2 0 0 0 25 21 1 0 0 0 26 23 2 0 0 0 27 22 1 0 0 0 28 25 2 0 0 0 29 26 1 0 0 0 16 15 1 0 0 0 28 24 1 0 0 0 27 29 2 0 0 0 M END > 9.39794000867204 > 6.88605664769316 $$$$ 11280715312D 1 1.00000 0.00000 0 30 32 0 1 0 999 V2000 0.4250 -3.3875 0.0000 N 0 0 3 0 0 0 0 0 0 0.4250 -2.7875 0.0000 S 0 0 3 0 0 0 0 0 0 0.8917 -5.3667 0.0000 S 0 0 3 0 0 0 0 0 0 -0.0583 -3.7375 0.0000 C 0 0 2 0 0 0 0 0 0 1.0792 -4.7917 0.0000 N 0 0 3 0 0 0 0 0 0 0.7250 -4.3125 0.0000 C 0 0 2 0 0 0 0 0 0 0.9125 -3.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0.1250 -4.3125 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6333 -3.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0.9417 -2.4875 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1583 -2.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0.4167 -2.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0.3750 -5.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0.5917 -5.8792 0.0000 O 0 0 0 0 0 0 0 0 0 -0.7583 -2.9667 0.0000 O 0 0 0 0 0 0 0 0 0 1.3792 -5.7167 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0750 -3.9542 0.0000 N 0 0 0 0 0 0 0 0 0 0.9417 -1.8875 0.0000 C 0 0 0 0 0 0 0 0 0 1.4667 -2.7875 0.0000 C 0 0 0 0 0 0 0 0 0 1.6792 -4.7917 0.0000 C 0 0 0 0 0 0 0 0 0 1.8667 -5.3667 0.0000 C 0 0 0 0 0 0 0 0 0 1.9875 -1.8875 0.0000 C 0 0 0 0 0 0 0 0 0 1.9875 -2.4875 0.0000 C 0 0 0 0 0 0 0 0 0 1.4625 -1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 -1.6458 -3.7667 0.0000 O 0 0 0 0 0 0 0 0 0 2.5042 -1.5875 0.0000 O 0 0 0 0 0 0 0 0 0 3.0250 -1.8792 0.0000 C 0 0 0 0 0 0 0 0 0 3.5417 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 4.1167 -1.7375 0.0000 C 0 0 0 0 0 0 0 0 0 4.5417 -1.3125 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 5 1 0 0 0 4 1 1 0 0 0 6 5 1 1 0 0 6 7 1 0 0 0 7 1 1 0 0 0 4 8 1 6 0 0 9 4 1 0 0 0 10 2 1 0 0 0 11 2 2 0 0 0 12 2 2 0 0 0 13 3 2 0 0 0 14 3 2 0 0 0 15 9 2 0 0 0 16 3 1 0 0 0 17 9 1 0 0 0 18 10 1 0 0 0 19 10 2 0 0 0 20 5 1 0 0 0 21 20 1 0 0 0 22 23 2 0 0 0 23 19 1 0 0 0 24 18 2 0 0 0 25 17 1 0 0 0 26 22 1 0 0 0 27 26 1 0 0 0 28 27 1 0 0 0 29 28 1 0 0 0 30 29 1 0 0 0 6 8 1 0 0 0 22 24 1 0 0 0 21 16 1 0 0 0 M END > 9.39794000867204 > 6.63827216398241 $$$$ 11280715172D 1 1.00000 0.00000 0 31 32 0 0 0 999 V2000 2.4292 -1.0500 0.0000 S 0 0 3 0 0 0 0 0 0 1.8292 -1.0500 0.0000 N 0 0 3 0 0 0 0 0 0 1.5292 -1.5625 0.0000 C 0 0 3 0 0 0 0 0 0 1.8250 -2.0792 0.0000 C 0 0 0 0 0 0 0 0 0 2.4292 -0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 2.4292 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 3.0292 -1.0542 0.0000 O 0 0 0 0 0 0 0 0 0 1.4042 -0.6250 0.0000 C 0 0 0 0 0 0 0 0 0 2.4042 -2.2375 0.0000 O 0 0 0 0 0 0 0 0 0 1.6667 -2.6625 0.0000 N 0 0 0 0 0 0 0 0 0 -1.5833 -3.6375 0.0000 N 0 0 0 0 0 0 0 0 0 0.9417 -1.7167 0.0000 C 0 0 0 0 0 0 0 0 0 2.9500 -0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 1.9125 -0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8458 -2.9000 0.0000 C 0 0 0 0 0 0 0 0 0 2.4292 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 2.9500 0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 1.9125 0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0.0417 -2.2292 0.0000 S 0 0 0 0 0 0 0 0 0 1.6625 -3.2625 0.0000 O 0 0 0 0 0 0 0 0 0 -1.0083 -3.4792 0.0000 C 0 0 0 0 0 0 0 0 0 2.4250 1.3500 0.0000 O 0 0 0 0 0 0 0 0 0 -0.2625 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0.8042 -0.6167 0.0000 C 0 0 3 0 0 0 0 0 0 0.6417 -2.2375 0.0000 C 0 0 0 0 0 0 0 0 0 -2.0125 -3.2042 0.0000 C 0 0 0 0 0 0 0 0 0 -1.2708 -2.4667 0.0000 C 0 0 0 0 0 0 0 0 0 2.9417 1.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0.3792 -1.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0.3792 -0.1917 0.0000 C 0 0 0 0 0 0 0 0 0 -1.8583 -2.6250 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 1 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 2 1 0 0 0 9 4 2 0 0 0 10 4 1 0 0 0 11 21 2 0 0 0 12 3 1 0 0 0 13 5 2 0 0 0 14 5 1 0 0 0 15 23 1 0 0 0 16 18 1 0 0 0 17 13 1 0 0 0 18 14 2 0 0 0 19 25 1 0 0 0 20 10 1 0 0 0 21 15 1 0 0 0 22 16 1 0 0 0 23 19 1 0 0 0 24 8 1 0 0 0 25 12 1 0 0 0 26 31 2 0 0 0 27 15 2 0 0 0 28 22 1 0 0 0 29 24 1 0 0 0 30 24 1 0 0 0 31 27 1 0 0 0 16 17 2 0 0 0 26 11 1 0 0 0 M END > 7.79048498545737 > 6.89962945488244 $$$$ SciTegic04151115542D 19 19 0 0 0 0 999 V2000 -1.5473 -10.6250 0.0000 C 0 0 -1.5484 -11.4523 0.0000 C 0 0 -0.8336 -11.8652 0.0000 C 0 0 -0.1172 -11.4519 0.0000 C 0 0 -0.1200 -10.6213 0.0000 C 0 0 -0.8354 -10.2122 0.0000 C 0 0 -0.8338 -12.6902 0.0000 O 0 0 -1.5484 -13.1025 0.0000 C 0 0 -0.8379 -9.3872 0.0000 S 0 0 -1.5536 -8.9768 0.0000 N 0 0 -0.3042 -8.7792 0.0000 O 0 0 -0.1292 -9.7958 0.0000 O 0 0 -2.2668 -9.3915 0.0000 C 0 0 1 0 0 0 -2.9825 -8.9811 0.0000 C 0 0 -3.6957 -9.3957 0.0000 N 0 0 -2.9850 -8.1561 0.0000 O 0 0 -4.4114 -8.9854 0.0000 O 0 0 -2.2644 -10.2165 0.0000 C 0 0 -2.9776 -10.6311 0.0000 O 0 0 4 5 1 0 9 10 1 0 2 3 1 0 9 11 2 0 5 6 2 0 9 12 2 0 6 1 1 0 10 13 1 0 1 2 2 0 13 14 1 0 3 7 1 0 14 15 1 0 3 4 2 0 14 16 2 0 7 8 1 0 15 17 1 0 13 18 1 6 6 9 1 0 18 19 1 0 M END > 8.65757731917779 > 6.84466396253494 $$$$ 11280715072D 1 1.00000 0.00000 0 40 42 0 1 0 999 V2000 5.3792 -2.5917 0.0000 N 0 0 0 0 0 0 0 0 0 4.6667 -3.0125 0.0000 C 0 0 0 0 0 0 0 0 0 2.5250 -2.6125 0.0000 P 0 0 3 0 0 0 0 0 0 3.9500 -2.6042 0.0000 C 0 0 3 0 0 0 0 0 0 6.0917 -3.0042 0.0000 C 0 0 2 0 0 0 0 0 0 6.8042 -2.5875 0.0000 C 0 0 0 0 0 0 0 0 0 3.2375 -3.0167 0.0000 C 0 0 0 0 0 0 0 0 0 6.1000 -3.8292 0.0000 C 0 0 3 0 0 0 0 0 0 -1.7625 -1.8042 0.0000 C 0 0 0 0 0 0 0 0 0 2.5167 -1.7875 0.0000 O 0 0 0 0 0 0 0 0 0 4.6667 -3.8375 0.0000 O 0 0 0 0 0 0 0 0 0 -1.0500 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 3.9417 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 6.8042 -1.7625 0.0000 O 0 0 0 0 0 0 0 0 0 1.8125 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4833 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 7.5250 -3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 2.5167 -3.4375 0.0000 O 0 0 0 0 0 0 0 0 0 -0.3333 -1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 1.0917 -2.6167 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4833 -0.5667 0.0000 F 0 0 0 0 0 0 0 0 0 4.6542 -1.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0.3667 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3333 -2.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0.3792 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 1.0875 -1.7875 0.0000 C 0 0 0 0 0 0 0 0 0 4.6542 -0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 6.9250 -3.8292 0.0000 C 0 0 0 0 0 0 0 0 0 6.1125 -4.6542 0.0000 C 0 0 0 0 0 0 0 0 0 5.2750 -3.8250 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7625 -2.6375 0.0000 C 0 0 0 0 0 0 0 0 0 -3.1958 -1.8125 0.0000 C 0 0 0 0 0 0 0 0 0 8.2375 -2.5792 0.0000 C 0 0 0 0 0 0 0 0 0 3.9417 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 5.3667 -0.1250 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4833 -3.0500 0.0000 C 0 0 0 0 0 0 0 0 0 -3.1958 -2.6375 0.0000 C 0 0 0 0 0 0 0 0 0 5.3625 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 3.9292 0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 4.6417 1.1083 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 7 1 0 0 0 4 2 1 0 0 0 5 1 1 0 0 0 6 5 1 0 0 0 7 4 1 0 0 0 5 8 1 6 0 0 9 12 1 0 0 0 10 3 2 0 0 0 11 2 2 0 0 0 12 19 1 0 0 0 4 13 1 0 0 0 14 6 2 0 0 0 15 3 1 0 0 0 16 9 2 0 0 0 17 6 1 0 0 0 18 3 1 0 0 0 19 23 1 0 0 0 20 15 1 0 0 0 21 16 1 0 0 0 22 13 1 0 0 0 23 26 2 0 0 0 24 25 1 0 0 0 25 20 2 0 0 0 26 20 1 0 0 0 27 22 1 0 0 0 28 8 1 0 0 0 29 8 1 0 0 0 30 8 1 0 0 0 31 9 1 0 0 0 32 16 1 0 0 0 33 17 1 0 0 0 34 27 1 0 0 0 35 27 2 0 0 0 36 31 2 0 0 0 37 36 1 0 0 0 38 35 1 0 0 0 39 34 2 0 0 0 40 38 2 0 0 0 40 39 1 0 0 0 24 19 2 0 0 0 37 32 2 0 0 0 M END > 7.74472749489669 > 6.16115090926275 $$$$ 11280715102D 1 1.00000 0.00000 0 24 25 0 0 0 999 V2000 2.2417 -3.6542 0.0000 S 0 0 3 0 0 0 0 0 0 1.6542 -3.0667 0.0000 N 0 0 3 0 0 0 0 0 0 0.9417 -3.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0.2292 -3.0542 0.0000 C 0 0 0 0 0 0 0 0 0 3.0667 -3.6167 0.0000 C 0 0 0 0 0 0 0 0 0 1.8292 -4.3667 0.0000 O 0 0 0 0 0 0 0 0 0 2.8292 -4.2375 0.0000 O 0 0 0 0 0 0 0 0 0 1.6542 -2.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0.2292 -2.2292 0.0000 O 0 0 0 0 0 0 0 0 0 -0.4875 -3.4667 0.0000 N 0 0 0 0 0 0 0 0 0 3.5042 -4.3167 0.0000 C 0 0 0 0 0 0 0 0 0 3.4500 -2.8917 0.0000 C 0 0 0 0 0 0 0 0 0 4.7167 -3.5542 0.0000 C 0 0 0 0 0 0 0 0 0 2.3625 -1.8250 0.0000 C 0 0 0 0 0 0 0 0 0 4.3292 -4.2792 0.0000 C 0 0 0 0 0 0 0 0 0 4.2750 -2.8625 0.0000 C 0 0 0 0 0 0 0 0 0 -1.2000 -3.0500 0.0000 O 0 0 0 0 0 0 0 0 0 5.5417 -3.5167 0.0000 O 0 0 0 0 0 0 0 0 0 3.0792 -2.2292 0.0000 C 0 0 0 0 0 0 0 0 0 2.3542 -1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 5.9792 -4.2167 0.0000 C 0 0 0 0 0 0 0 0 0 3.0667 -0.5792 0.0000 C 0 0 0 0 0 0 0 0 0 3.7917 -1.8167 0.0000 C 0 0 0 0 0 0 0 0 0 3.7875 -0.9917 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 1 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 2 1 0 0 0 9 4 2 0 0 0 10 4 1 0 0 0 11 5 2 0 0 0 12 5 1 0 0 0 13 16 1 0 0 0 14 8 1 0 0 0 15 11 1 0 0 0 16 12 2 0 0 0 17 10 1 0 0 0 18 13 1 0 0 0 19 14 2 0 0 0 20 14 1 0 0 0 21 18 1 0 0 0 22 20 2 0 0 0 23 19 1 0 0 0 24 22 1 0 0 0 13 15 2 0 0 0 24 23 2 0 0 0 M END > 7.56863623584101 > 7.56863623584101 $$$$ 11280715232D 1 1.00000 0.00000 0 20 20 0 0 0 999 V2000 5.1042 -2.9667 0.0000 S 0 0 3 0 0 0 0 0 0 4.4042 -2.5625 0.0000 N 0 0 0 0 0 0 0 0 0 3.7042 -2.9667 0.0000 C 0 0 3 0 0 0 0 0 0 3.0000 -2.5625 0.0000 C 0 0 0 0 0 0 0 0 0 5.8125 -3.3542 0.0000 C 0 0 0 0 0 0 0 0 0 4.3625 -3.6750 0.0000 O 0 0 0 0 0 0 0 0 0 5.7917 -2.2417 0.0000 O 0 0 0 0 0 0 0 0 0 2.3042 -2.9667 0.0000 O 0 0 0 0 0 0 0 0 0 3.0000 -1.7542 0.0000 N 0 0 0 0 0 0 0 0 0 3.7042 -3.7750 0.0000 C 0 0 3 0 0 0 0 0 0 5.8292 -4.1625 0.0000 C 0 0 0 0 0 0 0 0 0 6.5000 -2.9292 0.0000 C 0 0 0 0 0 0 0 0 0 7.2250 -4.1292 0.0000 C 0 0 0 0 0 0 0 0 0 7.2042 -3.3167 0.0000 C 0 0 0 0 0 0 0 0 0 6.5292 -4.5500 0.0000 C 0 0 0 0 0 0 0 0 0 2.3042 -1.3500 0.0000 O 0 0 0 0 0 0 0 0 0 7.9292 -4.5167 0.0000 O 0 0 0 0 0 0 0 0 0 3.9042 -4.5625 0.0000 C 0 0 0 0 0 0 0 0 0 3.0000 -4.1792 0.0000 C 0 0 0 0 0 0 0 0 0 7.9625 -5.3250 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 1 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 4 2 0 0 0 9 4 1 0 0 0 10 3 1 0 0 0 11 5 2 0 0 0 12 5 1 0 0 0 13 14 1 0 0 0 14 12 2 0 0 0 15 11 1 0 0 0 16 9 1 0 0 0 17 13 1 0 0 0 18 10 1 0 0 0 19 10 1 0 0 0 20 17 1 0 0 0 15 13 2 0 0 0 M END > 6.98716277529483 > 6.98716277529483 $$$$ 11280715402D 1 1.00000 0.00000 0 16 16 0 0 0 999 V2000 7.9250 -2.3542 0.0000 S 0 0 3 0 0 0 0 0 0 7.9250 -1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 7.9250 -3.1792 0.0000 C 0 0 0 0 0 0 0 0 0 7.1000 -2.3542 0.0000 O 0 0 0 0 0 0 0 0 0 8.7500 -2.3542 0.0000 O 0 0 0 0 0 0 0 0 0 7.2125 -3.5917 0.0000 C 0 0 0 0 0 0 0 0 0 8.6417 -1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 7.2125 -1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 7.9250 0.1250 0.0000 C 0 0 0 0 0 0 0 0 0 6.5000 -4.8292 0.0000 S 0 0 0 0 0 0 0 0 0 8.6417 -0.2875 0.0000 C 0 0 0 0 0 0 0 0 0 7.2125 -0.2875 0.0000 C 0 0 0 0 0 0 0 0 0 7.2125 -4.4167 0.0000 C 0 0 3 0 0 0 0 0 0 7.9250 0.9500 0.0000 O 0 0 0 0 0 0 0 0 0 8.6375 1.3625 0.0000 C 0 0 0 0 0 0 0 0 0 7.9292 -4.8292 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 1 2 0 0 0 5 1 2 0 0 0 6 3 1 0 0 0 7 2 2 0 0 0 8 2 1 0 0 0 9 12 1 0 0 0 10 13 1 0 0 0 11 7 1 0 0 0 12 8 2 0 0 0 13 6 1 0 0 0 14 9 1 0 0 0 15 14 1 0 0 0 16 13 1 0 0 0 11 9 2 0 0 0 M END > 7.49485002168009 > 5.09691001300806 $$$$ SciTegic11161115462D 34 37 0 0 0 0 999 V2000 -3.1929 -26.8461 0.0000 C 0 0 -3.9091 -27.2576 0.0000 C 0 0 -3.9108 -28.0790 0.0000 C 0 0 -3.1981 -28.4952 0.0000 N 0 0 -2.4819 -28.0837 0.0000 C 0 0 -2.4785 -27.2561 0.0000 C 0 0 -2.4785 -26.4335 0.0000 S 0 0 -2.0662 -25.7189 0.0000 O 0 0 -2.8912 -25.7191 0.0000 O 0 0 -1.7639 -26.8458 0.0000 C 0 0 -1.7651 -27.6732 0.0000 C 0 0 -1.0503 -28.0860 0.0000 C 0 0 -0.3338 -27.6727 0.0000 C 0 0 -0.3367 -26.8422 0.0000 C 0 0 -1.0521 -26.4330 0.0000 C 0 0 0.3813 -28.0841 0.0000 O 0 0 -3.9074 -26.4338 0.0000 C 0 0 -3.9076 -25.6088 0.0000 O 0 0 -4.6218 -26.8465 0.0000 N 0 0 -5.3364 -26.4341 0.0000 O 0 0 1.0951 -27.6704 0.0000 C 0 0 1.8069 -28.0823 0.0000 C 0 0 1.7992 -26.4322 0.0000 C 0 0 1.0888 -26.8475 0.0000 C 0 0 2.5164 -26.8415 0.0000 C 0 0 2.5231 -27.6654 0.0000 C 0 0 3.2282 -26.4244 0.0000 O 0 0 -3.2010 -29.3202 0.0000 C 0 0 3.9453 -26.8322 0.0000 C 0 0 4.6571 -26.4150 0.0000 F 0 0 3.9507 -27.6571 0.0000 F 0 0 4.6542 -27.2417 0.0000 F 0 0 -3.6110 -30.0321 0.0000 C 0 0 -2.7860 -30.0350 0.0000 C 0 0 1 2 1 0 1 17 1 0 1 6 1 0 17 18 2 0 2 3 1 0 17 19 1 0 3 4 1 0 19 20 1 0 10 11 2 0 16 21 1 0 4 5 1 0 21 22 2 0 22 26 1 0 11 12 1 0 25 23 1 0 5 6 1 0 23 24 2 0 24 21 1 0 25 26 2 0 12 13 2 0 8 7 2 0 13 14 1 0 25 27 1 0 7 9 2 0 4 28 1 0 14 15 2 0 27 29 1 0 15 10 1 0 29 30 1 0 29 31 1 0 13 16 1 0 29 32 1 0 33 28 1 0 34 33 1 0 28 34 1 0 10 7 1 0 7 1 1 0 M END > 10 > 5.39794000867204 $$$$ 11280715142D 1 1.00000 0.00000 0 24 24 0 1 0 999 V2000 4.6125 -0.2542 0.0000 S 0 0 3 0 0 0 0 0 0 3.8917 -0.6792 0.0000 N 0 0 0 0 0 0 0 0 0 3.9042 -1.5042 0.0000 C 0 0 1 0 0 0 0 0 0 3.1917 -1.9250 0.0000 C 0 0 0 0 0 0 0 0 0 5.3292 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 8.1917 2.6625 0.0000 C 0 0 0 0 0 0 0 0 0 8.9125 3.0833 0.0000 C 0 0 0 0 0 0 0 0 0 5.0375 -0.9750 0.0000 O 0 0 0 0 0 0 0 0 0 4.1875 0.4708 0.0000 O 0 0 0 0 0 0 0 0 0 4.6250 -1.9167 0.0000 C 0 0 3 0 0 0 0 0 0 3.2042 -2.7542 0.0000 O 0 0 0 0 0 0 0 0 0 2.4750 -1.5167 0.0000 N 0 0 0 0 0 0 0 0 0 6.0417 -0.2417 0.0000 C 0 0 0 0 0 0 0 0 0 5.3292 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 6.7625 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 6.0417 1.4125 0.0000 C 0 0 0 0 0 0 0 0 0 6.7625 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 1.7625 -1.9292 0.0000 O 0 0 0 0 0 0 0 0 0 7.4792 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 7.4792 1.4208 0.0000 O 0 0 0 0 0 0 0 0 0 9.6292 3.4958 0.0000 C 0 0 0 0 0 0 0 0 0 4.6250 -2.7417 0.0000 C 0 0 0 0 0 0 0 0 0 5.3375 -1.5042 0.0000 C 0 0 0 0 0 0 0 0 0 5.3375 -2.3292 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 1 1 0 0 0 6 19 1 0 0 0 7 6 3 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 3 10 1 6 0 0 11 4 2 0 0 0 12 4 1 0 0 0 13 5 1 0 0 0 14 5 2 0 0 0 15 16 2 0 0 0 16 14 1 0 0 0 17 13 2 0 0 0 18 12 1 0 0 0 19 20 1 0 0 0 20 15 1 0 0 0 21 7 1 0 0 0 22 10 1 0 0 0 23 10 1 0 0 0 24 10 1 0 0 0 15 17 1 0 0 0 M END > 7.38721614328026 > 6.05551732784983 $$$$ 11280715172D 1 1.00000 0.00000 0 44 46 0 0 0 999 V2000 4.0750 -4.3375 0.0000 S 0 0 3 0 0 0 0 0 0 3.4750 -4.3375 0.0000 N 0 0 3 0 0 0 0 0 0 3.1750 -4.8500 0.0000 C 0 0 3 0 0 0 0 0 0 1.6250 -2.4875 0.0000 C 0 0 0 0 0 0 0 0 0 3.4667 -5.3667 0.0000 C 0 0 0 0 0 0 0 0 0 3.0500 -3.9125 0.0000 C 0 0 0 0 0 0 0 0 0 1.6250 -1.8792 0.0000 C 0 0 0 0 0 0 0 0 0 1.1042 -2.7875 0.0000 C 0 0 0 0 0 0 0 0 0 4.0750 -3.7375 0.0000 C 0 0 0 0 0 0 0 0 0 2.4417 -3.9042 0.0000 C 0 0 0 0 0 0 0 0 0 2.1417 -2.7875 0.0000 C 0 0 0 0 0 0 0 0 0 4.0750 -4.9375 0.0000 O 0 0 0 0 0 0 0 0 0 4.6750 -4.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0.5875 -2.4875 0.0000 C 0 0 0 0 0 0 0 0 0 1.1000 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 2.1500 -3.3875 0.0000 N 0 0 0 0 0 0 0 0 0 0.5792 -1.8792 0.0000 C 0 0 0 0 0 0 0 0 0 4.0500 -5.5250 0.0000 O 0 0 0 0 0 0 0 0 0 3.3125 -5.9500 0.0000 N 0 0 0 0 0 0 0 0 0 2.1500 -4.4250 0.0000 O 0 0 0 0 0 0 0 0 0 2.5875 -5.0042 0.0000 C 0 0 0 0 0 0 0 0 0 3.5542 -3.4375 0.0000 C 0 0 0 0 0 0 0 0 0 4.5917 -3.4375 0.0000 C 0 0 0 0 0 0 0 0 0 2.1292 -1.5750 0.0000 O 0 0 0 0 0 0 0 0 0 1.1000 -3.3875 0.0000 O 0 0 0 0 0 0 0 0 0 4.0750 -2.5375 0.0000 C 0 0 0 0 0 0 0 0 0 4.5917 -2.8375 0.0000 C 0 0 0 0 0 0 0 0 0 3.5542 -2.8375 0.0000 C 0 0 0 0 0 0 0 0 0 1.7000 -5.6750 0.0000 S 0 0 0 0 0 0 0 0 0 3.3042 -6.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0.0625 -1.5792 0.0000 O 0 0 0 0 0 0 0 0 0 4.0667 -1.9375 0.0000 O 0 0 0 0 0 0 0 0 0 0.9625 -6.4125 0.0000 C 0 0 0 0 0 0 0 0 0 2.2875 -5.5250 0.0000 C 0 0 0 0 0 0 0 0 0 1.5417 -6.2542 0.0000 C 0 0 0 0 0 0 0 0 0 2.1292 -0.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0.5792 -3.6792 0.0000 C 0 0 0 0 0 0 0 0 0 -0.4625 -1.8750 0.0000 C 0 0 0 0 0 0 0 0 0 4.5875 -1.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0.5375 -5.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0.8000 -6.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0.2250 -7.1417 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0500 -6.1292 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2083 -6.7125 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 11 1 0 0 0 5 3 1 0 0 0 6 2 1 0 0 0 7 4 1 0 0 0 8 4 2 0 0 0 9 1 1 0 0 0 10 6 1 0 0 0 11 16 1 0 0 0 12 1 2 0 0 0 13 1 2 0 0 0 14 8 1 0 0 0 15 7 2 0 0 0 16 10 1 0 0 0 17 14 2 0 0 0 18 5 2 0 0 0 19 5 1 0 0 0 20 10 2 0 0 0 21 3 1 0 0 0 22 9 1 0 0 0 23 9 2 0 0 0 24 7 1 0 0 0 25 8 1 0 0 0 26 27 2 0 0 0 27 23 1 0 0 0 28 22 2 0 0 0 29 34 1 0 0 0 30 19 1 0 0 0 31 17 1 0 0 0 32 26 1 0 0 0 33 35 1 0 0 0 34 21 1 0 0 0 35 29 1 0 0 0 36 24 1 0 0 0 37 25 1 0 0 0 38 31 1 0 0 0 39 32 1 0 0 0 40 33 2 0 0 0 41 33 1 0 0 0 42 41 2 0 0 0 43 40 1 0 0 0 44 42 1 0 0 0 26 28 1 0 0 0 17 15 1 0 0 0 44 43 2 0 0 0 M END > 8.79588001734407 > 7.30980391997149 $$$$ 11280714562D 1 1.00000 0.00000 0 25 26 0 1 0 999 V2000 2.7125 -1.1250 0.0000 S 0 0 3 0 0 0 0 0 0 3.3125 -1.1250 0.0000 N 0 0 0 0 0 0 0 0 0 3.6042 -0.6042 0.0000 C 0 0 2 0 0 0 0 0 0 4.2042 -0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 2.1125 -1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 2.7042 -0.5250 0.0000 O 0 0 0 0 0 0 0 0 0 2.7042 -1.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0.9167 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0.3167 -1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 4.5125 -1.1167 0.0000 O 0 0 0 0 0 0 0 0 0 1.8000 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 1.8167 -1.6625 0.0000 C 0 0 0 0 0 0 0 0 0 3.3042 -0.0792 0.0000 C 0 0 3 0 0 0 0 0 0 1.2167 -1.6667 0.0000 C 0 0 0 0 0 0 0 0 0 1.2042 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0.0250 -1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0.0042 -0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7875 -1.6917 0.0000 O 0 0 0 0 0 0 0 0 0 -1.4833 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 4.5042 -0.0792 0.0000 O 0 0 0 0 0 0 0 0 0 -0.8833 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5958 -0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5750 -1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 3.6042 0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 2.7875 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 1 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 14 2 0 0 0 9 8 1 0 0 0 10 4 2 0 0 0 11 5 1 0 0 0 12 5 2 0 0 0 3 13 1 1 0 0 14 12 1 0 0 0 15 11 2 0 0 0 16 9 2 0 0 0 17 9 1 0 0 0 18 19 2 0 0 0 19 21 1 0 0 0 20 4 1 0 0 0 21 22 1 0 0 0 22 17 2 0 0 0 23 16 1 0 0 0 24 13 1 0 0 0 25 13 1 0 0 0 8 15 1 0 0 0 23 21 2 0 0 0 M END > 7.79588001734407 > 5.49485002168009 $$$$ 11280715082D 1 1.00000 0.00000 0 27 28 0 0 0 999 V2000 14.7542 -4.8917 0.0000 C 0 0 3 0 0 0 0 0 0 13.9292 -4.9167 0.0000 S 0 0 3 0 0 0 0 0 0 15.1417 -4.1542 0.0000 C 0 0 0 0 0 0 0 0 0 13.1042 -4.9542 0.0000 C 0 0 0 0 0 0 0 0 0 15.1625 -5.6042 0.0000 C 0 0 0 0 0 0 0 0 0 15.5792 -4.8917 0.0000 C 0 0 0 0 0 0 0 0 0 13.9000 -4.1000 0.0000 O 0 0 0 0 0 0 0 0 0 13.9667 -5.7500 0.0000 O 0 0 0 0 0 0 0 0 0 14.7000 -3.4625 0.0000 O 0 0 0 0 0 0 0 0 0 15.9667 -4.1250 0.0000 N 0 0 0 0 0 0 0 0 0 14.7417 -7.7375 0.0000 N 0 0 0 0 0 0 0 0 0 12.7250 -5.6792 0.0000 C 0 0 0 0 0 0 0 0 0 12.6667 -4.2542 0.0000 C 0 0 0 0 0 0 0 0 0 14.7417 -6.3125 0.0000 C 0 0 0 0 0 0 0 0 0 11.4542 -5.0167 0.0000 C 0 0 0 0 0 0 0 0 0 11.8375 -4.2917 0.0000 C 0 0 0 0 0 0 0 0 0 11.9000 -5.7167 0.0000 C 0 0 0 0 0 0 0 0 0 16.3542 -3.3917 0.0000 O 0 0 0 0 0 0 0 0 0 10.6292 -5.0542 0.0000 O 0 0 0 0 0 0 0 0 0 15.1542 -7.0250 0.0000 C 0 0 0 0 0 0 0 0 0 15.9917 -5.6042 0.0000 C 0 0 3 0 0 0 0 0 0 13.9167 -7.7375 0.0000 C 0 0 0 0 0 0 0 0 0 13.9167 -6.3042 0.0000 C 0 0 0 0 0 0 0 0 0 10.1917 -4.3542 0.0000 C 0 0 0 0 0 0 0 0 0 15.9875 -6.4292 0.0000 C 0 0 0 0 0 0 0 0 0 16.8167 -5.6042 0.0000 C 0 0 0 0 0 0 0 0 0 13.5042 -7.0167 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 2 1 0 0 0 5 1 1 0 0 0 6 1 1 0 0 0 7 2 2 0 0 0 8 2 2 0 0 0 9 3 2 0 0 0 10 3 1 0 0 0 11 20 2 0 0 0 12 4 1 0 0 0 13 4 2 0 0 0 14 5 1 0 0 0 15 16 2 0 0 0 16 13 1 0 0 0 17 12 2 0 0 0 18 10 1 0 0 0 19 15 1 0 0 0 20 14 1 0 0 0 21 6 1 0 0 0 22 27 2 0 0 0 23 14 2 0 0 0 24 19 1 0 0 0 25 21 1 0 0 0 26 21 1 0 0 0 27 23 1 0 0 0 17 15 1 0 0 0 22 11 1 0 0 0 M END > 7.88605664769316 > 6 $$$$ 11280715292D 1 1.00000 0.00000 0 21 22 0 0 0 999 V2000 3.3000 -4.4292 0.0000 S 0 0 3 0 0 0 0 0 0 3.3000 -5.2417 0.0000 N 0 0 3 0 0 0 0 0 0 2.6292 -5.7292 0.0000 C 0 0 3 0 0 0 0 0 0 1.8500 -5.4792 0.0000 C 0 0 0 0 0 0 0 0 0 3.2917 -3.6042 0.0000 C 0 0 0 0 0 0 0 0 0 4.1250 -4.4292 0.0000 O 0 0 0 0 0 0 0 0 0 2.4750 -4.4167 0.0000 O 0 0 0 0 0 0 0 0 0 1.6792 -4.6750 0.0000 O 0 0 0 0 0 0 0 0 0 3.4792 -6.8875 0.0000 S 0 0 0 0 0 0 0 0 0 4.0542 -5.5667 0.0000 C 0 0 0 0 0 0 0 0 0 1.2375 -6.0292 0.0000 N 0 0 0 0 0 0 0 0 0 2.5625 -3.1917 0.0000 C 0 0 0 0 0 0 0 0 0 4.0042 -3.1792 0.0000 C 0 0 0 0 0 0 0 0 0 2.7292 -6.5500 0.0000 C 0 0 0 0 0 0 0 0 0 3.2667 -1.9542 0.0000 C 0 0 0 0 0 0 0 0 0 2.5625 -2.3667 0.0000 C 0 0 0 0 0 0 0 0 0 3.9875 -2.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0.4417 -5.7750 0.0000 O 0 0 0 0 0 0 0 0 0 4.1417 -6.3917 0.0000 C 0 0 0 0 0 0 0 0 0 3.2625 -1.1292 0.0000 O 0 0 0 0 0 0 0 0 0 3.9667 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 1 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 4 2 0 0 0 9 19 1 0 0 0 10 2 1 0 0 0 11 4 1 0 0 0 12 5 1 0 0 0 13 5 2 0 0 0 14 3 1 0 0 0 15 17 2 0 0 0 16 12 2 0 0 0 17 13 1 0 0 0 18 11 1 0 0 0 19 10 1 0 0 0 20 15 1 0 0 0 21 20 1 0 0 0 16 15 1 0 0 0 9 14 1 0 0 0 M END > 9 > 7.20760831050175 $$$$ 11280715202D 1 1.00000 0.00000 0 25 27 0 0 0 999 V2000 -0.5583 1.6833 0.0000 C 0 0 3 0 0 0 0 0 0 0.8792 1.6708 0.0000 S 0 0 3 0 0 0 0 0 0 0.1542 2.0958 0.0000 N 0 0 0 0 0 0 0 0 0 -1.2708 2.0958 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1458 0.9625 0.0000 C 0 0 0 0 0 0 0 0 0 -0.9708 0.9625 0.0000 C 0 0 0 0 0 0 0 0 0 1.6000 1.2458 0.0000 C 0 0 0 0 0 0 0 0 0 1.3042 2.3958 0.0000 O 0 0 0 0 0 0 0 0 0 0.4542 0.9500 0.0000 O 0 0 0 0 0 0 0 0 0 -1.2708 2.9250 0.0000 O 0 0 0 0 0 0 0 0 0 -1.9833 1.6833 0.0000 N 0 0 0 0 0 0 0 0 0 3.7500 -0.0042 0.0000 O 0 0 0 0 0 0 0 0 0 1.6000 0.4208 0.0000 C 0 0 0 0 0 0 0 0 0 2.3125 1.6583 0.0000 C 0 0 0 0 0 0 0 0 0 3.0292 0.4208 0.0000 C 0 0 0 0 0 0 0 0 0 3.7417 -0.8292 0.0000 C 0 0 0 0 0 0 0 0 0 3.7417 -2.4875 0.0000 C 0 0 0 0 0 0 0 0 0 3.0292 1.2458 0.0000 C 0 0 0 0 0 0 0 0 0 2.3125 0.0083 0.0000 C 0 0 0 0 0 0 0 0 0 3.7375 -3.3125 0.0000 F 0 0 0 0 0 0 0 0 0 -1.9833 0.8583 0.0000 O 0 0 0 0 0 0 0 0 0 4.4625 -1.2417 0.0000 C 0 0 0 0 0 0 0 0 0 3.0250 -1.2417 0.0000 C 0 0 0 0 0 0 0 0 0 3.0250 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0 4.4625 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 3 1 1 0 0 0 4 1 1 0 0 0 5 1 1 0 0 0 6 1 1 0 0 0 7 2 1 0 0 0 8 2 2 0 0 0 9 2 2 0 0 0 10 4 2 0 0 0 11 4 1 0 0 0 12 15 1 0 0 0 13 7 2 0 0 0 14 7 1 0 0 0 15 18 1 0 0 0 16 12 1 0 0 0 17 24 2 0 0 0 18 14 2 0 0 0 19 13 1 0 0 0 20 17 1 0 0 0 21 11 1 0 0 0 22 16 1 0 0 0 23 16 2 0 0 0 24 23 1 0 0 0 25 22 2 0 0 0 6 5 1 0 0 0 15 19 2 0 0 0 17 25 1 0 0 0 M END > 9.03151705144606 > 6.30102999566398 $$$$ 11280715242D 1 1.00000 0.00000 0 36 40 0 1 0 999 V2000 -1.6375 -1.7917 0.0000 N 0 0 3 0 0 0 0 0 0 -1.6458 -0.9667 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4208 -2.0542 0.0000 C 0 0 0 0 0 0 0 0 0 -2.9083 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4333 -0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 -0.9708 -2.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0.4792 -2.5167 0.0000 C 0 0 2 0 0 0 0 0 0 -0.1833 -2.0250 0.0000 C 0 0 1 0 0 0 0 0 0 0.4750 -3.3417 0.0000 C 0 0 0 0 0 0 0 0 0 -0.9833 -0.4792 0.0000 O 0 0 0 0 0 0 0 0 0 -2.6708 -2.8417 0.0000 O 0 0 0 0 0 0 0 0 0 1.1542 -2.0292 0.0000 C 0 0 2 0 0 0 0 0 0 0.0750 -1.2417 0.0000 C 0 0 0 0 0 0 0 0 0 5.1875 -0.3667 0.0000 C 0 0 0 0 0 0 0 0 0 5.8000 0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 1.1875 -3.7542 0.0000 O 0 0 0 0 0 0 0 0 0 0.9042 -1.2417 0.0000 C 0 0 0 0 0 0 0 0 0 4.4000 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 5.3500 -1.1750 0.0000 C 0 0 0 0 0 0 0 0 0 6.5792 -0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 5.6292 0.9833 0.0000 C 0 0 0 0 0 0 0 0 0 1.9292 -2.2917 0.0000 S 0 0 0 0 0 0 0 0 0 -0.2458 -3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 7.0292 1.2750 0.0000 C 0 0 0 0 0 0 0 0 0 6.2417 1.5333 0.0000 C 0 0 0 0 0 0 0 0 0 7.2000 0.4708 0.0000 C 0 0 0 0 0 0 0 0 0 4.7292 -1.7250 0.0000 C 0 0 0 0 0 0 0 0 0 3.7792 -0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 3.9500 -1.4625 0.0000 C 0 0 0 0 0 0 0 0 0 7.6500 1.8250 0.0000 F 0 0 0 0 0 0 0 0 0 -3.7208 -1.3125 0.0000 C 0 0 0 0 0 0 0 0 0 -2.7708 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 2.5542 -1.7417 0.0000 C 0 0 0 0 0 0 0 0 0 3.3292 -2.0042 0.0000 C 0 0 0 0 0 0 0 0 0 -3.5833 0.1083 0.0000 C 0 0 0 0 0 0 0 0 0 -4.0625 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 3 1 0 0 0 5 2 1 0 0 0 6 1 1 0 0 0 7 8 1 0 0 0 8 6 1 6 0 0 7 9 1 1 0 0 10 2 2 0 0 0 11 3 2 0 0 0 12 7 1 0 0 0 13 8 1 0 0 0 14 18 1 0 0 0 15 14 1 0 0 0 16 9 2 0 0 0 17 13 1 0 0 0 18 28 2 0 0 0 19 27 1 0 0 0 20 15 2 0 0 0 21 15 1 0 0 0 12 22 1 6 0 0 23 9 1 0 0 0 24 25 1 0 0 0 25 21 2 0 0 0 26 20 1 0 0 0 27 29 2 0 0 0 28 29 1 0 0 0 29 34 1 0 0 0 30 24 1 0 0 0 31 4 1 0 0 0 32 5 1 0 0 0 33 22 1 0 0 0 34 33 1 0 0 0 35 32 2 0 0 0 36 31 2 0 0 0 4 5 2 0 0 0 12 17 1 0 0 0 35 36 1 0 0 0 19 14 2 0 0 0 26 24 2 0 0 0 M END > 6.60554831917378 > 5.22184874961636 $$$$ 11280715152D 1 1.00000 0.00000 0 37 40 0 0 0 999 V2000 6.6750 -6.2375 0.0000 S 0 0 3 0 0 0 0 0 0 6.3792 -7.0167 0.0000 N 0 0 3 0 0 0 0 0 0 5.5667 -7.0792 0.0000 C 0 0 3 0 0 0 0 0 0 5.3417 -8.5500 0.0000 N 0 0 3 0 0 0 0 0 0 5.1042 -7.7625 0.0000 C 0 0 0 0 0 0 0 0 0 6.9500 -7.6167 0.0000 C 0 0 0 0 0 0 0 0 0 5.1542 -6.3542 0.0000 C 0 0 0 0 0 0 0 0 0 6.1167 -8.8542 0.0000 C 0 0 0 0 0 0 0 0 0 6.8292 -8.4417 0.0000 C 0 0 0 0 0 0 0 0 0 4.7292 -9.1042 0.0000 C 0 0 0 0 0 0 0 0 0 6.9625 -5.4542 0.0000 C 0 0 0 0 0 0 0 0 0 7.4792 -6.1167 0.0000 O 0 0 0 0 0 0 0 0 0 6.0167 -5.4292 0.0000 O 0 0 0 0 0 0 0 0 0 5.5792 -5.6417 0.0000 O 0 0 0 0 0 0 0 0 0 3.9500 -8.8500 0.0000 O 0 0 0 0 0 0 0 0 0 4.3292 -6.3542 0.0000 N 0 0 0 0 0 0 0 0 0 7.7667 -5.3167 0.0000 C 0 0 0 0 0 0 0 0 0 6.4292 -4.8250 0.0000 C 0 0 0 0 0 0 0 0 0 7.8125 -3.1292 0.0000 O 0 0 0 0 0 0 0 0 0 7.5292 -3.9125 0.0000 C 0 0 0 0 0 0 0 0 0 7.2792 -2.4917 0.0000 C 0 0 0 0 0 0 0 0 0 6.2167 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 8.0542 -4.5542 0.0000 C 0 0 0 0 0 0 0 0 0 6.7167 -4.0542 0.0000 C 0 0 0 0 0 0 0 0 0 5.6792 -0.6042 0.0000 Cl 0 0 0 0 0 0 0 0 0 3.9167 -5.6417 0.0000 O 0 0 0 0 0 0 0 0 0 6.4667 -2.6417 0.0000 C 0 0 0 0 0 0 0 0 0 7.5542 -1.7167 0.0000 C 0 0 0 0 0 0 0 0 0 7.0250 -1.0917 0.0000 C 0 0 0 0 0 0 0 0 0 5.9417 -2.0125 0.0000 C 0 0 0 0 0 0 0 0 0 4.9042 -9.9042 0.0000 C 0 0 0 0 0 0 0 0 0 7.5417 -8.8542 0.0000 C 0 0 0 0 0 0 0 0 0 6.1167 -9.6792 0.0000 C 0 0 0 0 0 0 0 0 0 5.6917 -10.1625 0.0000 O 0 0 0 0 0 0 0 0 0 5.8667 -10.9667 0.0000 C 0 0 0 0 0 0 0 0 0 7.5417 -9.6792 0.0000 C 0 0 0 0 0 0 0 0 0 6.8292 -10.0917 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 5 1 0 0 0 5 3 1 0 0 0 6 2 1 0 0 0 7 3 1 0 0 0 8 9 1 0 0 0 9 6 1 0 0 0 10 4 1 0 0 0 11 1 1 0 0 0 12 1 2 0 0 0 13 1 2 0 0 0 14 7 2 0 0 0 15 10 2 0 0 0 16 7 1 0 0 0 17 11 2 0 0 0 18 11 1 0 0 0 19 20 1 0 0 0 20 24 1 0 0 0 21 19 1 0 0 0 22 29 2 0 0 0 23 17 1 0 0 0 24 18 2 0 0 0 25 22 1 0 0 0 26 16 1 0 0 0 27 21 1 0 0 0 28 21 2 0 0 0 29 28 1 0 0 0 30 27 2 0 0 0 31 10 1 0 0 0 32 9 2 0 0 0 33 8 2 0 0 0 34 31 1 0 0 0 35 34 1 0 0 0 36 32 1 0 0 0 37 36 2 0 0 0 20 23 2 0 0 0 4 8 1 0 0 0 37 33 1 0 0 0 22 30 1 0 0 0 M END > 8.69897000433602 > 7.21467016498923 $$$$ 11290715552D 1 1.00000 0.00000 0 25 26 0 1 0 999 V2000 11.9929 -18.8273 0.0000 N 0 0 0 0 0 0 0 0 0 12.7039 -18.4089 0.0000 C 0 0 1 0 0 0 0 0 0 12.6970 -17.5839 0.0000 C 0 0 3 0 0 0 0 0 0 13.4080 -17.1654 0.0000 C 0 0 0 0 0 0 0 0 0 11.9791 -17.1774 0.0000 C 0 0 0 0 0 0 0 0 0 13.4218 -18.8154 0.0000 P 0 0 3 0 0 0 0 0 0 14.0042 -19.3958 0.0000 O 0 0 0 0 0 0 0 0 0 13.9207 -18.1583 0.0000 O 0 0 0 0 0 0 0 0 0 12.9258 -19.4746 0.0000 O 0 0 0 0 0 0 0 0 0 11.2750 -18.4208 0.0000 S 0 0 3 0 0 0 0 0 0 10.5583 -18.0083 0.0000 C 0 0 0 0 0 0 0 0 0 10.8660 -19.1373 0.0000 O 0 0 0 0 0 0 0 0 0 11.6857 -17.7053 0.0000 O 0 0 0 0 0 0 0 0 0 10.5600 -17.1762 0.0000 C 0 0 0 0 0 0 0 0 0 9.8442 -16.7638 0.0000 C 0 0 0 0 0 0 0 0 0 9.1276 -17.1782 0.0000 C 0 0 0 0 0 0 0 0 0 9.1314 -18.0094 0.0000 C 0 0 0 0 0 0 0 0 0 9.8478 -18.4181 0.0000 C 0 0 0 0 0 0 0 0 0 8.4121 -16.7676 0.0000 C 0 0 0 0 0 0 0 0 0 8.4122 -15.9383 0.0000 C 0 0 0 0 0 0 0 0 0 7.6975 -15.5278 0.0000 C 0 0 0 0 0 0 0 0 0 6.9831 -15.9423 0.0000 C 0 0 0 0 0 0 0 0 0 6.9880 -16.7715 0.0000 C 0 0 0 0 0 0 0 0 0 7.7033 -17.1783 0.0000 C 0 0 0 0 0 0 0 0 0 7.6957 -14.7028 0.0000 F 0 0 0 0 0 0 0 0 0 10 13 2 0 0 0 6 7 2 0 0 0 11 14 2 0 0 0 3 4 1 0 0 0 14 15 1 0 0 0 6 8 1 0 0 0 15 16 2 0 0 0 16 17 1 0 0 0 6 9 1 0 0 0 17 18 2 0 0 0 18 11 1 0 0 0 3 5 1 0 0 0 16 19 1 0 0 0 1 10 1 0 0 0 19 20 2 0 0 0 2 3 1 1 0 0 20 21 1 0 0 0 10 11 1 0 0 0 21 22 2 0 0 0 2 6 1 0 0 0 22 23 1 0 0 0 10 12 2 0 0 0 23 24 2 0 0 0 24 19 1 0 0 0 1 2 1 0 0 0 21 25 1 0 0 0 M END > 7.20065945054642 > 6.22914798835786 $$$$ 11280715242D 1 1.00000 0.00000 0 31 33 0 0 0 999 V2000 4.8750 -3.9125 0.0000 S 0 0 3 0 0 0 0 0 0 4.8750 -1.5125 0.0000 S 0 0 3 0 0 0 0 0 0 4.8750 -2.1125 0.0000 N 0 0 3 0 0 0 0 0 0 4.8667 -4.5042 0.0000 C 0 0 0 0 0 0 0 0 0 4.8750 -3.3125 0.0000 N 0 0 3 0 0 0 0 0 0 4.3625 -2.4125 0.0000 C 0 0 3 0 0 0 0 0 0 4.3625 -3.0125 0.0000 C 0 0 0 0 0 0 0 0 0 4.5625 -5.4167 0.0000 N 0 0 0 0 0 0 0 0 0 5.3500 -4.8667 0.0000 C 0 0 0 0 0 0 0 0 0 4.3792 -4.8542 0.0000 C 0 0 0 0 0 0 0 0 0 3.8417 -2.1125 0.0000 C 0 0 0 0 0 0 0 0 0 5.1542 -5.4292 0.0000 O 0 0 0 0 0 0 0 0 0 5.3917 -2.4125 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -3.0125 0.0000 C 0 0 0 0 0 0 0 0 0 5.3917 -1.2042 0.0000 C 0 0 0 0 0 0 0 0 0 4.2375 -3.9125 0.0000 O 0 0 0 0 0 0 0 0 0 5.7042 -3.9417 0.0000 O 0 0 0 0 0 0 0 0 0 4.2500 -0.9375 0.0000 O 0 0 0 0 0 0 0 0 0 5.5875 -1.9250 0.0000 O 0 0 0 0 0 0 0 0 0 3.8375 -1.5125 0.0000 O 0 0 0 0 0 0 0 0 0 3.3167 -2.4125 0.0000 N 0 0 0 0 0 0 0 0 0 5.3917 -0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 5.9125 -1.5042 0.0000 C 0 0 0 0 0 0 0 0 0 6.4292 -0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 6.4292 -1.2042 0.0000 C 0 0 0 0 0 0 0 0 0 5.9042 -0.3042 0.0000 C 0 0 0 0 0 0 0 0 0 2.8000 -2.1125 0.0000 O 0 0 0 0 0 0 0 0 0 5.9167 -4.6875 0.0000 C 0 0 0 0 0 0 0 0 0 3.8167 -4.6625 0.0000 C 0 0 0 0 0 0 0 0 0 6.9500 -0.3042 0.0000 O 0 0 0 0 0 0 0 0 0 7.4667 -0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 3 13 1 0 0 0 4 1 1 0 0 0 5 1 1 0 0 0 6 7 1 0 0 0 7 5 1 0 0 0 8 10 2 0 0 0 9 4 2 0 0 0 10 4 1 0 0 0 11 6 1 0 0 0 12 9 1 0 0 0 13 14 1 0 0 0 14 5 1 0 0 0 15 2 1 0 0 0 16 1 2 0 0 0 17 1 2 0 0 0 18 2 2 0 0 0 19 2 2 0 0 0 20 11 2 0 0 0 21 11 1 0 0 0 22 15 1 0 0 0 23 15 2 0 0 0 24 25 2 0 0 0 25 23 1 0 0 0 26 22 2 0 0 0 27 21 1 0 0 0 28 9 1 0 0 0 29 10 1 0 0 0 30 24 1 0 0 0 31 30 1 0 0 0 3 6 1 0 0 0 12 8 1 0 0 0 24 26 1 0 0 0 M END > 8.88605664769316 > 7.26760624017703 $$$$ 11280715232D 1 1.00000 0.00000 0 32 32 0 0 0 999 V2000 6.1625 -3.7917 0.0000 C 0 0 3 0 0 0 0 0 0 5.4500 -3.4042 0.0000 S 0 0 3 0 0 0 0 0 0 6.1792 -4.6042 0.0000 C 0 0 3 0 0 0 0 0 0 6.8917 -5.0000 0.0000 C 0 0 3 0 0 0 0 0 0 4.7500 -3.0000 0.0000 N 0 0 3 0 0 0 0 0 0 4.7375 -0.5542 0.0000 N 0 3 0 0 0 0 0 0 0 6.9167 -5.8125 0.0000 C 0 0 3 0 0 0 0 0 0 4.0417 -3.4042 0.0000 C 0 0 0 0 0 0 0 0 0 5.4500 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 5.4500 -0.9667 0.0000 C 0 0 0 0 0 0 0 0 0 3.3292 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 4.7500 -2.1792 0.0000 C 0 0 0 0 0 0 0 0 0 6.1417 -2.6750 0.0000 O 0 0 0 0 0 0 0 0 0 4.7042 -4.1167 0.0000 O 0 0 0 0 0 0 0 0 0 6.8542 -3.3667 0.0000 F 0 0 0 0 0 0 0 0 0 5.6042 -4.3792 0.0000 F 0 0 0 0 0 0 0 0 0 4.7375 0.2583 0.0000 O 0 5 0 0 0 0 0 0 0 3.9417 -0.7167 0.0000 O 0 0 0 0 0 0 0 0 0 5.4875 -5.0292 0.0000 F 0 0 0 0 0 0 0 0 0 6.7417 -4.0167 0.0000 F 0 0 0 0 0 0 0 0 0 7.5875 -4.5750 0.0000 F 0 0 0 0 0 0 0 0 0 6.3292 -5.5875 0.0000 F 0 0 0 0 0 0 0 0 0 2.6292 -3.4042 0.0000 O 0 0 0 0 0 0 0 0 0 3.3292 -2.1792 0.0000 N 0 0 0 0 0 0 0 0 0 7.6292 -6.2042 0.0000 F 0 0 0 0 0 0 0 0 0 6.2125 -6.2375 0.0000 F 0 0 0 0 0 0 0 0 0 7.4792 -5.2167 0.0000 F 0 0 0 0 0 0 0 0 0 2.6292 -1.7792 0.0000 O 0 0 0 0 0 0 0 0 0 6.1542 -2.1792 0.0000 C 0 0 0 0 0 0 0 0 0 6.1417 -0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 6.8542 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 6.8542 -0.9667 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 3 1 0 0 0 5 2 1 0 0 0 6 10 1 0 0 0 7 4 1 0 0 0 8 5 1 0 0 0 9 12 1 0 0 0 10 9 1 0 0 0 11 8 1 0 0 0 12 5 1 0 0 0 13 2 2 0 0 0 14 2 2 0 0 0 15 1 1 0 0 0 16 1 1 0 0 0 17 6 1 0 0 0 18 6 2 0 0 0 19 3 1 0 0 0 20 3 1 0 0 0 21 4 1 0 0 0 22 4 1 0 0 0 23 11 2 0 0 0 24 11 1 0 0 0 25 7 1 0 0 0 26 7 1 0 0 0 27 7 1 0 0 0 28 24 1 0 0 0 29 9 2 0 0 0 30 10 2 0 0 0 31 29 1 0 0 0 32 31 2 0 0 0 30 32 1 0 0 0 M CHG 2 6 1 17 -1 M END > 7.88605664769316 > 7.88605664769316 $$$$ 11280715082D 1 1.00000 0.00000 0 29 31 0 0 0 999 V2000 5.8917 -6.9042 0.0000 C 0 0 3 0 0 0 0 0 0 5.1792 -7.3167 0.0000 S 0 0 3 0 0 0 0 0 0 6.6167 -7.3042 0.0000 C 0 0 0 0 0 0 0 0 0 5.1875 -6.4917 0.0000 C 0 0 0 0 0 0 0 0 0 6.6042 -6.4917 0.0000 C 0 0 0 0 0 0 0 0 0 4.4667 -6.9042 0.0000 C 0 0 0 0 0 0 0 0 0 5.8917 -5.2542 0.0000 N 0 0 3 0 0 0 0 0 0 5.7667 -7.9042 0.0000 O 0 0 0 0 0 0 0 0 0 4.5917 -7.9042 0.0000 O 0 0 0 0 0 0 0 0 0 6.6292 -8.1292 0.0000 O 0 0 0 0 0 0 0 0 0 7.3250 -6.8792 0.0000 N 0 0 0 0 0 0 0 0 0 5.1875 -5.6667 0.0000 C 0 0 0 0 0 0 0 0 0 6.6042 -5.6667 0.0000 C 0 0 0 0 0 0 0 0 0 3.7500 -7.3167 0.0000 C 0 0 0 0 0 0 0 0 0 4.4667 -6.0792 0.0000 C 0 0 0 0 0 0 0 0 0 5.8917 -4.4292 0.0000 C 0 0 0 0 0 0 0 0 0 6.6125 -4.0167 0.0000 C 0 0 0 0 0 0 0 0 0 8.0417 -3.1917 0.0000 C 0 0 0 0 0 0 0 0 0 3.0375 -6.0792 0.0000 C 0 0 0 0 0 0 0 0 0 3.7500 -5.6667 0.0000 C 0 0 0 0 0 0 0 0 0 3.0375 -6.9042 0.0000 C 0 0 0 0 0 0 0 0 0 8.7542 -2.7792 0.0000 F 0 0 0 0 0 0 0 0 0 8.0417 -7.2792 0.0000 O 0 0 0 0 0 0 0 0 0 7.3250 -2.7792 0.0000 C 0 0 0 0 0 0 0 0 0 8.0417 -4.0167 0.0000 C 0 0 0 0 0 0 0 0 0 6.6125 -3.1917 0.0000 C 0 0 0 0 0 0 0 0 0 7.3292 -4.4292 0.0000 C 0 0 0 0 0 0 0 0 0 2.3167 -5.6667 0.0000 O 0 0 0 0 0 0 0 0 0 1.6042 -6.0792 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 1 1 0 0 0 5 1 1 0 0 0 6 2 1 0 0 0 7 13 1 0 0 0 8 2 2 0 0 0 9 2 2 0 0 0 10 3 2 0 0 0 11 3 1 0 0 0 12 4 1 0 0 0 13 5 1 0 0 0 14 6 2 0 0 0 15 6 1 0 0 0 16 7 1 0 0 0 17 16 1 0 0 0 18 25 2 0 0 0 19 20 1 0 0 0 20 15 2 0 0 0 21 14 1 0 0 0 22 18 1 0 0 0 23 11 1 0 0 0 24 26 2 0 0 0 25 27 1 0 0 0 26 17 1 0 0 0 27 17 2 0 0 0 28 19 1 0 0 0 29 28 1 0 0 0 12 7 1 0 0 0 19 21 2 0 0 0 24 18 1 0 0 0 M END > 8.69897000433602 > 6.18309616062434 $$$$ 11280715152D 1 1.00000 0.00000 0 39 43 0 0 0 999 V2000 6.6750 -6.0917 0.0000 S 0 0 3 0 0 0 0 0 0 6.3792 -6.8792 0.0000 N 0 0 3 0 0 0 0 0 0 5.3417 -8.4042 0.0000 N 0 0 3 0 0 0 0 0 0 5.5667 -6.9417 0.0000 C 0 0 3 0 0 0 0 0 0 4.7292 -8.9625 0.0000 C 0 0 0 0 0 0 0 0 0 5.1042 -7.6167 0.0000 C 0 0 0 0 0 0 0 0 0 6.9500 -7.4792 0.0000 C 0 0 0 0 0 0 0 0 0 6.1167 -8.7125 0.0000 C 0 0 0 0 0 0 0 0 0 5.1542 -6.2167 0.0000 C 0 0 0 0 0 0 0 0 0 6.8292 -8.3000 0.0000 C 0 0 0 0 0 0 0 0 0 4.9042 -9.7667 0.0000 C 0 0 0 0 0 0 0 0 0 6.9625 -5.3167 0.0000 C 0 0 0 0 0 0 0 0 0 6.0417 -5.4000 0.0000 O 0 0 0 0 0 0 0 0 0 7.6042 -6.1500 0.0000 O 0 0 0 0 0 0 0 0 0 4.4250 -10.4375 0.0000 S 0 0 0 0 0 0 0 0 0 3.9500 -8.7042 0.0000 O 0 0 0 0 0 0 0 0 0 5.5792 -5.5000 0.0000 O 0 0 0 0 0 0 0 0 0 5.6917 -10.0167 0.0000 C 0 0 0 0 0 0 0 0 0 4.9167 -11.1042 0.0000 C 0 0 0 0 0 0 0 0 0 4.3292 -6.2125 0.0000 N 0 0 0 0 0 0 0 0 0 5.6917 -10.8417 0.0000 C 0 0 0 0 0 0 0 0 0 6.4375 -4.6875 0.0000 C 0 0 0 0 0 0 0 0 0 7.7750 -5.1750 0.0000 C 0 0 0 0 0 0 0 0 0 7.8125 -2.9875 0.0000 O 0 0 0 0 0 0 0 0 0 7.5292 -3.7667 0.0000 C 0 0 0 0 0 0 0 0 0 7.2792 -2.3542 0.0000 C 0 0 0 0 0 0 0 0 0 6.2167 -1.0917 0.0000 C 0 0 0 0 0 0 0 0 0 6.7167 -3.9167 0.0000 C 0 0 0 0 0 0 0 0 0 8.0542 -4.4042 0.0000 C 0 0 0 0 0 0 0 0 0 5.6792 -0.4625 0.0000 Cl 0 0 0 0 0 0 0 0 0 3.9167 -5.5000 0.0000 O 0 0 0 0 0 0 0 0 0 6.4667 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 7.5542 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 7.0250 -0.9500 0.0000 C 0 0 0 0 0 0 0 0 0 5.9417 -1.8667 0.0000 C 0 0 0 0 0 0 0 0 0 7.5417 -8.7125 0.0000 C 0 0 0 0 0 0 0 0 0 6.1167 -9.5417 0.0000 C 0 0 0 0 0 0 0 0 0 7.5417 -9.5417 0.0000 C 0 0 0 0 0 0 0 0 0 6.8292 -9.9542 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 6 1 0 0 0 4 2 1 0 0 0 5 3 1 0 0 0 6 4 1 0 0 0 7 2 1 0 0 0 8 10 1 0 0 0 9 4 1 0 0 0 10 7 1 0 0 0 11 5 1 0 0 0 12 1 1 0 0 0 13 1 2 0 0 0 14 1 2 0 0 0 15 11 1 0 0 0 16 5 2 0 0 0 17 9 2 0 0 0 18 11 2 0 0 0 19 15 1 0 0 0 20 9 1 0 0 0 21 18 1 0 0 0 22 12 1 0 0 0 23 12 2 0 0 0 24 25 1 0 0 0 25 29 2 0 0 0 26 24 1 0 0 0 27 34 2 0 0 0 28 22 2 0 0 0 29 23 1 0 0 0 30 27 1 0 0 0 31 20 1 0 0 0 32 26 1 0 0 0 33 26 2 0 0 0 34 33 1 0 0 0 35 32 2 0 0 0 36 10 2 0 0 0 37 8 2 0 0 0 38 36 1 0 0 0 39 38 2 0 0 0 25 28 1 0 0 0 3 8 1 0 0 0 39 37 1 0 0 0 27 35 1 0 0 0 21 19 2 0 0 0 M END > 8.39794000867204 > 7.45593195564972 $$$$ 11280715082D 1 1.00000 0.00000 0 19 19 0 0 0 999 V2000 6.3667 -3.2292 0.0000 S 0 0 3 0 0 0 0 0 0 7.1875 -3.2042 0.0000 C 0 0 3 0 0 0 0 0 0 7.5750 -2.4667 0.0000 C 0 0 0 0 0 0 0 0 0 5.5417 -3.2667 0.0000 C 0 0 0 0 0 0 0 0 0 6.4000 -4.0625 0.0000 O 0 0 0 0 0 0 0 0 0 6.3292 -2.4125 0.0000 O 0 0 0 0 0 0 0 0 0 7.1292 -1.7750 0.0000 O 0 0 0 0 0 0 0 0 0 8.4042 -2.4375 0.0000 N 0 0 0 0 0 0 0 0 0 7.5917 -3.9167 0.0000 C 0 0 3 0 0 0 0 0 0 5.1542 -3.9917 0.0000 C 0 0 0 0 0 0 0 0 0 5.1000 -2.5667 0.0000 C 0 0 0 0 0 0 0 0 0 3.8917 -3.3292 0.0000 C 0 0 0 0 0 0 0 0 0 4.2667 -2.6042 0.0000 C 0 0 0 0 0 0 0 0 0 4.3292 -4.0292 0.0000 C 0 0 0 0 0 0 0 0 0 8.7875 -1.7042 0.0000 O 0 0 0 0 0 0 0 0 0 3.0625 -3.3667 0.0000 O 0 0 0 0 0 0 0 0 0 7.1792 -4.6250 0.0000 C 0 0 0 0 0 0 0 0 0 8.4167 -3.9167 0.0000 C 0 0 0 0 0 0 0 0 0 2.6250 -2.6667 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 1 1 0 0 0 5 1 2 0 0 0 6 1 2 0 0 0 7 3 2 0 0 0 8 3 1 0 0 0 9 2 1 0 0 0 10 4 1 0 0 0 11 4 2 0 0 0 12 13 2 0 0 0 13 11 1 0 0 0 14 10 2 0 0 0 15 8 1 0 0 0 16 12 1 0 0 0 17 9 1 0 0 0 18 9 1 0 0 0 19 16 1 0 0 0 14 12 1 0 0 0 M END > 6.72584215073632 > 6.1890957193313 $$$$ 11280715082D 1 1.00000 0.00000 0 23 24 0 0 0 999 V2000 6.2792 -2.8542 0.0000 S 0 0 3 0 0 0 0 0 0 7.1000 -2.8292 0.0000 C 0 0 3 0 0 0 0 0 0 7.4875 -2.0917 0.0000 C 0 0 0 0 0 0 0 0 0 5.4542 -2.8917 0.0000 C 0 0 0 0 0 0 0 0 0 6.3125 -3.6875 0.0000 O 0 0 0 0 0 0 0 0 0 6.2417 -2.0375 0.0000 O 0 0 0 0 0 0 0 0 0 7.5417 -3.5250 0.0000 C 0 0 0 0 0 0 0 0 0 7.0417 -1.4000 0.0000 O 0 0 0 0 0 0 0 0 0 8.3167 -2.0625 0.0000 N 0 0 0 0 0 0 0 0 0 5.0667 -3.6167 0.0000 C 0 0 0 0 0 0 0 0 0 5.0125 -2.1917 0.0000 C 0 0 0 0 0 0 0 0 0 3.8042 -2.9542 0.0000 C 0 0 0 0 0 0 0 0 0 7.1625 -4.2542 0.0000 C 0 0 0 0 0 0 0 0 0 4.2417 -3.6542 0.0000 C 0 0 0 0 0 0 0 0 0 4.1792 -2.2292 0.0000 C 0 0 0 0 0 0 0 0 0 8.7000 -1.3292 0.0000 O 0 0 0 0 0 0 0 0 0 2.9750 -2.9917 0.0000 O 0 0 0 0 0 0 0 0 0 6.3417 -4.2875 0.0000 C 0 0 0 0 0 0 0 0 0 7.6042 -4.9417 0.0000 C 0 0 0 0 0 0 0 0 0 2.5375 -2.2917 0.0000 C 0 0 0 0 0 0 0 0 0 7.2292 -5.6750 0.0000 C 0 0 0 0 0 0 0 0 0 5.9542 -5.0167 0.0000 C 0 0 0 0 0 0 0 0 0 6.4042 -5.7167 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 1 1 0 0 0 5 1 2 0 0 0 6 1 2 0 0 0 7 2 1 0 0 0 8 3 2 0 0 0 9 3 1 0 0 0 10 4 1 0 0 0 11 4 2 0 0 0 12 15 2 0 0 0 13 7 1 0 0 0 14 10 2 0 0 0 15 11 1 0 0 0 16 9 1 0 0 0 17 12 1 0 0 0 18 13 2 0 0 0 19 13 1 0 0 0 20 17 1 0 0 0 21 19 2 0 0 0 22 18 1 0 0 0 23 21 1 0 0 0 12 14 1 0 0 0 23 22 2 0 0 0 M END > 7 > 6.50445566245355 $$$$ 11280715462D 1 1.00000 0.00000 0 34 37 0 1 0 999 V2000 2.1542 -4.6292 0.0000 S 0 0 3 0 0 0 0 0 0 2.1542 -5.4542 0.0000 N 0 0 3 0 0 0 0 0 0 1.4375 -5.8667 0.0000 C 0 0 2 0 0 0 0 0 0 1.4292 -6.6917 0.0000 C 0 0 3 0 0 0 0 0 0 0.7167 -5.4542 0.0000 C 0 0 0 0 0 0 0 0 0 2.8750 -5.8667 0.0000 C 0 0 0 0 0 0 0 0 0 2.1542 -3.8042 0.0000 C 0 0 0 0 0 0 0 0 0 2.9792 -4.6250 0.0000 O 0 0 0 0 0 0 0 0 0 1.3292 -4.6250 0.0000 O 0 0 0 0 0 0 0 0 0 2.1500 -7.1125 0.0000 C 0 0 0 0 0 0 0 0 0 3.6417 0.2833 0.0000 C 0 0 0 0 0 0 0 0 0 2.9667 1.5583 0.0000 N 0 0 0 0 0 0 0 0 0 0.7250 -4.6292 0.0000 O 0 0 0 0 0 0 0 0 0 2.8667 -6.7000 0.0000 C 0 0 1 0 0 0 0 0 0 2.9042 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0.0042 -5.8667 0.0000 N 0 0 0 0 0 0 0 0 0 3.6750 1.1125 0.0000 C 0 0 0 0 0 0 0 0 0 2.9000 -0.9167 0.0000 C 0 0 0 0 0 0 0 0 0 2.8750 -3.3917 0.0000 C 0 0 0 0 0 0 0 0 0 1.4500 -3.3875 0.0000 C 0 0 0 0 0 0 0 0 0 2.1792 -1.3250 0.0000 O 0 0 0 0 0 0 0 0 0 2.1750 -2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 1.4292 -7.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0.6042 -6.6917 0.0000 C 0 0 0 0 0 0 0 0 0 2.2417 1.1708 0.0000 C 0 0 0 0 0 0 0 0 0 2.8792 -2.5667 0.0000 C 0 0 0 0 0 0 0 0 0 1.4542 -2.5542 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7083 -5.4542 0.0000 O 0 0 0 0 0 0 0 0 0 3.5792 -7.1167 0.0000 O 0 0 0 0 0 0 0 0 0 2.2042 0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 4.3417 -0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 4.4042 1.4958 0.0000 C 0 0 0 0 0 0 0 0 0 5.0667 0.2250 0.0000 C 0 0 0 0 0 0 0 0 0 5.1042 1.0583 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 3 5 1 6 0 0 6 2 1 0 0 0 7 1 1 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 14 1 0 0 0 11 15 1 0 0 0 12 25 2 0 0 0 13 5 2 0 0 0 14 6 1 0 0 0 15 18 1 0 0 0 16 5 1 0 0 0 17 11 1 0 0 0 18 21 1 0 0 0 19 7 1 0 0 0 20 7 2 0 0 0 21 22 1 0 0 0 22 27 2 0 0 0 23 4 1 0 0 0 24 4 1 0 0 0 25 30 1 0 0 0 26 19 2 0 0 0 27 20 1 0 0 0 28 16 1 0 0 0 14 29 1 6 0 0 30 15 2 0 0 0 31 11 2 0 0 0 32 17 2 0 0 0 33 31 1 0 0 0 34 33 2 0 0 0 22 26 1 0 0 0 10 4 1 0 0 0 17 12 1 0 0 0 34 32 1 0 0 0 M END > 8.10790539730952 > 6.76955107862173 $$$$ 11280715162D 1 1.00000 0.00000 0 31 33 0 0 0 999 V2000 3.6250 -1.5167 0.0000 S 0 0 3 0 0 0 0 0 0 2.9042 -1.1042 0.0000 N 0 0 3 0 0 0 0 0 0 2.1917 -1.5250 0.0000 C 0 0 0 0 0 0 0 0 0 1.4792 -1.1125 0.0000 C 0 0 0 0 0 0 0 0 0 2.1917 -2.3542 0.0000 C 0 0 0 0 0 0 0 0 0 1.4750 -0.2875 0.0000 C 0 0 0 0 0 0 0 0 0 4.3375 -1.9292 0.0000 C 0 0 0 0 0 0 0 0 0 2.9125 -3.5917 0.0000 N 0 0 3 0 0 0 0 0 0 3.6250 -2.3417 0.0000 O 0 0 0 0 0 0 0 0 0 4.3375 -1.1042 0.0000 O 0 0 0 0 0 0 0 0 0 2.9125 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 2.9167 -5.2375 0.0000 N 0 0 3 0 0 0 0 0 0 2.1917 0.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0.7625 0.1208 0.0000 N 0 0 0 0 0 0 0 0 0 5.0417 -1.5167 0.0000 C 0 0 0 0 0 0 0 0 0 4.3292 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 2.1917 -4.0042 0.0000 C 0 0 0 0 0 0 0 0 0 3.6250 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 3.6292 -4.8167 0.0000 C 0 0 0 0 0 0 0 0 0 2.1917 -4.8250 0.0000 C 0 0 0 0 0 0 0 0 0 2.9042 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0.7667 -1.5250 0.0000 C 0 0 0 0 0 0 0 0 0 1.4792 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 5.7542 -2.7417 0.0000 C 0 0 0 0 0 0 0 0 0 5.0417 -3.1542 0.0000 C 0 0 0 0 0 0 0 0 0 5.7542 -1.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0.7542 0.9458 0.0000 O 0 0 0 0 0 0 0 0 0 6.4667 -3.1542 0.0000 O 0 0 0 0 0 0 0 0 0 2.9167 -6.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0.7667 -2.3542 0.0000 C 0 0 0 0 0 0 0 0 0 7.1792 -2.7375 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 2 0 0 0 5 3 1 0 0 0 6 4 1 0 0 0 7 1 1 0 0 0 8 11 1 0 0 0 9 1 2 0 0 0 10 1 2 0 0 0 11 5 1 0 0 0 12 19 1 0 0 0 13 6 2 0 0 0 14 6 1 0 0 0 15 7 1 0 0 0 16 7 2 0 0 0 17 8 1 0 0 0 18 8 1 0 0 0 19 18 1 0 0 0 20 17 1 0 0 0 21 2 1 0 0 0 22 4 1 0 0 0 23 5 2 0 0 0 24 25 2 0 0 0 25 16 1 0 0 0 26 15 2 0 0 0 27 14 1 0 0 0 28 24 1 0 0 0 29 12 1 0 0 0 30 23 1 0 0 0 31 28 1 0 0 0 26 24 1 0 0 0 30 22 2 0 0 0 12 20 1 0 0 0 M END > 7.92081875395237 > 6.51427857351842 $$$$ 11280715122D 1 1.00000 0.00000 0 33 34 0 0 0 999 V2000 5.2292 -0.7667 0.0000 S 0 0 3 0 0 0 0 0 0 5.4125 -1.5792 0.0000 N 0 0 3 0 0 0 0 0 0 4.7667 -2.0875 0.0000 C 0 0 3 0 0 0 0 0 0 5.4125 -3.4292 0.0000 N 0 0 3 0 0 0 0 0 0 4.0250 -1.7250 0.0000 C 0 0 0 0 0 0 0 0 0 4.7667 -2.9167 0.0000 C 0 0 0 0 0 0 0 0 0 5.2292 -4.2292 0.0000 C 0 0 0 0 0 0 0 0 0 3.4792 -5.5250 0.0000 C 0 0 0 0 0 0 0 0 0 5.8375 -0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 4.4292 -0.5542 0.0000 O 0 0 0 0 0 0 0 0 0 6.0292 -0.9792 0.0000 O 0 0 0 0 0 0 0 0 0 4.2667 -5.2792 0.0000 N 0 0 0 0 0 0 0 0 0 3.3000 -6.3292 0.0000 O 0 0 0 0 0 0 0 0 0 4.4417 -4.4750 0.0000 C 0 0 0 0 0 0 0 0 0 3.9667 -0.9042 0.0000 O 0 0 0 0 0 0 0 0 0 2.8667 -4.9667 0.0000 O 0 0 0 0 0 0 0 0 0 5.8375 -4.7917 0.0000 O 0 0 0 0 0 0 0 0 0 3.3417 -2.1875 0.0000 N 0 0 0 0 0 0 0 0 0 2.5042 -6.5792 0.0000 C 0 0 3 0 0 0 0 0 0 6.2167 -1.7625 0.0000 C 0 0 0 0 0 0 0 0 0 5.6542 0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 6.6250 -0.4542 0.0000 C 0 0 0 0 0 0 0 0 0 6.5667 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 6.2167 -3.2417 0.0000 C 0 0 0 0 0 0 0 0 0 7.0500 0.9083 0.0000 C 0 0 0 0 0 0 0 0 0 7.2292 0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 6.2542 1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 2.6000 -1.8292 0.0000 O 0 0 0 0 0 0 0 0 0 7.6542 1.4625 0.0000 O 0 0 0 0 0 0 0 0 0 2.3292 -7.3792 0.0000 C 0 0 0 0 0 0 0 0 0 1.9042 -6.0167 0.0000 C 0 0 0 0 0 0 0 0 0 3.2417 -6.9542 0.0000 C 0 0 0 0 0 0 0 0 0 8.4417 1.2208 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 6 1 0 0 0 5 3 1 0 0 0 6 3 1 0 0 0 7 4 1 0 0 0 8 12 1 0 0 0 9 1 1 0 0 0 10 1 2 0 0 0 11 1 2 0 0 0 12 14 1 0 0 0 13 8 1 0 0 0 14 7 1 0 0 0 15 5 2 0 0 0 16 8 2 0 0 0 17 7 2 0 0 0 18 5 1 0 0 0 19 13 1 0 0 0 20 2 1 0 0 0 21 9 1 0 0 0 22 9 2 0 0 0 23 20 1 0 0 0 24 23 1 0 0 0 25 26 2 0 0 0 26 22 1 0 0 0 27 21 2 0 0 0 28 18 1 0 0 0 29 25 1 0 0 0 30 19 1 0 0 0 31 19 1 0 0 0 32 19 1 0 0 0 33 29 1 0 0 0 25 27 1 0 0 0 4 24 1 0 0 0 M END > 7.79588001734407 > 6.16115090926275 $$$$ 11280714472D 1 1.00000 0.00000 0 30 31 0 0 0 999 V2000 4.0667 -2.0750 0.0000 S 0 0 3 0 0 0 0 0 0 2.6417 -3.7250 0.0000 C 0 0 0 0 0 0 0 0 0 3.3542 -2.4875 0.0000 N 0 0 3 0 0 0 0 0 0 3.3542 -3.3125 0.0000 C 0 0 0 0 0 0 0 0 0 4.0667 -3.7250 0.0000 C 0 0 0 0 0 0 0 0 0 1.9167 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 4.7875 -1.6542 0.0000 C 0 0 0 0 0 0 0 0 0 3.6500 -1.3542 0.0000 O 0 0 0 0 0 0 0 0 0 4.4792 -2.7917 0.0000 O 0 0 0 0 0 0 0 0 0 2.6417 -4.5542 0.0000 C 0 0 0 0 0 0 0 0 0 8.3667 -0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 9.0875 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 4.0667 -4.5542 0.0000 C 0 0 0 0 0 0 0 0 0 3.3542 -4.9667 0.0000 C 0 0 0 0 0 0 0 0 0 1.9292 -2.4667 0.0000 O 0 0 0 0 0 0 0 0 0 1.2042 -3.7125 0.0000 N 0 0 0 0 0 0 0 0 0 5.5000 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0 4.7875 -0.8292 0.0000 C 0 0 0 0 0 0 0 0 0 2.6375 -2.0750 0.0000 C 0 0 0 0 0 0 0 0 0 3.3542 -5.7917 0.0000 Br 0 0 0 0 0 0 0 0 0 6.2167 -0.8292 0.0000 C 0 0 0 0 0 0 0 0 0 6.2167 -1.6542 0.0000 C 0 0 0 0 0 0 0 0 0 5.5000 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0.4917 -3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 4.7917 -3.3042 0.0000 C 0 0 0 0 0 0 0 0 0 7.6542 -0.8167 0.0000 C 0 0 0 0 0 0 0 0 0 9.8042 0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 6.9375 -0.4042 0.0000 O 0 0 0 0 0 0 0 0 0 10.5167 0.0333 0.0000 O 0 0 0 0 0 0 0 0 0 11.2417 0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 3 1 1 0 0 0 4 3 1 0 0 0 5 4 2 0 0 0 6 2 1 0 0 0 7 1 1 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 2 2 0 0 0 11 26 1 0 0 0 12 11 3 0 0 0 13 5 1 0 0 0 14 13 2 0 0 0 15 6 2 0 0 0 16 6 1 0 0 0 17 7 2 0 0 0 18 7 1 0 0 0 19 3 1 0 0 0 20 14 1 0 0 0 21 23 1 0 0 0 22 17 1 0 0 0 23 18 2 0 0 0 24 16 1 0 0 0 25 5 1 0 0 0 26 28 1 0 0 0 27 12 1 0 0 0 28 21 1 0 0 0 29 27 1 0 0 0 30 29 1 0 0 0 22 21 2 0 0 0 10 14 1 0 0 0 M END > 6.63264407897398 > 5.10773839308447 $$$$ 11280714562D 1 1.00000 0.00000 0 24 25 0 1 0 999 V2000 2.7125 -1.1250 0.0000 S 0 0 3 0 0 0 0 0 0 3.3125 -1.1250 0.0000 N 0 0 0 0 0 0 0 0 0 3.6042 -0.6042 0.0000 C 0 0 2 0 0 0 0 0 0 4.2042 -0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 2.1125 -1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 2.7042 -0.5250 0.0000 O 0 0 0 0 0 0 0 0 0 2.7042 -1.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0.9167 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0.3167 -1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 4.5125 -1.1167 0.0000 O 0 0 0 0 0 0 0 0 0 1.8000 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 1.8167 -1.6625 0.0000 C 0 0 0 0 0 0 0 0 0 3.3042 -0.0792 0.0000 C 0 0 3 0 0 0 0 0 0 1.2167 -1.6667 0.0000 C 0 0 0 0 0 0 0 0 0 1.2042 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0.0250 -1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0.0042 -0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 4.5042 -0.0792 0.0000 O 0 0 0 0 0 0 0 0 0 -0.8833 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5958 -0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5750 -1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5833 -1.1417 0.0000 Br 0 0 0 0 0 0 0 0 0 2.7875 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 3.6042 0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 1 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 14 2 0 0 0 9 8 1 0 0 0 10 4 2 0 0 0 11 5 1 0 0 0 12 5 2 0 0 0 3 13 1 1 0 0 14 12 1 0 0 0 15 11 2 0 0 0 16 9 2 0 0 0 17 9 1 0 0 0 18 4 1 0 0 0 19 20 1 0 0 0 20 17 2 0 0 0 21 16 1 0 0 0 22 19 1 0 0 0 23 13 1 0 0 0 24 13 1 0 0 0 8 15 1 0 0 0 21 19 2 0 0 0 M END > 8.09691001300806 > 5.22184874961636 $$$$ 11280715312D 1 1.00000 0.00000 0 30 32 0 1 0 999 V2000 3.7292 -2.0625 0.0000 S 0 0 3 0 0 0 0 0 0 3.7292 -2.6625 0.0000 N 0 0 3 0 0 0 0 0 0 3.2500 -3.0125 0.0000 C 0 0 1 0 0 0 0 0 0 4.9792 -4.0042 0.0000 S 0 0 3 0 0 0 0 0 0 2.6792 -2.8292 0.0000 C 0 0 0 0 0 0 0 0 0 4.2167 -3.0125 0.0000 C 0 0 0 0 0 0 0 0 0 4.0292 -3.5875 0.0000 C 0 0 2 0 0 0 0 0 0 3.4292 -3.5875 0.0000 C 0 0 0 0 0 0 0 0 0 4.3875 -4.0667 0.0000 N 0 0 0 0 0 0 0 0 0 4.2542 -1.7625 0.0000 C 0 0 0 0 0 0 0 0 0 3.1500 -1.9042 0.0000 O 0 0 0 0 0 0 0 0 0 3.7250 -1.4625 0.0000 O 0 0 0 0 0 0 0 0 0 4.9792 -3.4042 0.0000 O 0 0 0 0 0 0 0 0 0 5.5625 -3.8500 0.0000 O 0 0 0 0 0 0 0 0 0 2.5542 -2.2417 0.0000 O 0 0 0 0 0 0 0 0 0 2.2292 -3.2292 0.0000 N 0 0 0 0 0 0 0 0 0 7.3750 -1.7542 0.0000 N 0 0 0 0 0 0 0 0 0 4.2542 -1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 4.7750 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 5.8125 -0.8625 0.0000 O 0 0 0 0 0 0 0 0 0 6.3292 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 5.2917 -1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 5.3375 -4.4917 0.0000 C 0 0 0 0 0 0 0 0 0 4.7667 -0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 5.2917 -1.7625 0.0000 C 0 0 0 0 0 0 0 0 0 1.6625 -3.0417 0.0000 O 0 0 0 0 0 0 0 0 0 6.8542 -0.8542 0.0000 C 0 0 0 0 0 0 0 0 0 6.3375 -1.7625 0.0000 C 0 0 0 0 0 0 0 0 0 7.3750 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 6.8542 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 9 1 0 0 0 5 3 1 0 0 0 6 2 1 0 0 0 7 6 1 0 0 0 3 8 1 6 0 0 7 9 1 1 0 0 10 1 1 0 0 0 11 1 2 0 0 0 12 1 2 0 0 0 13 4 2 0 0 0 14 4 2 0 0 0 15 5 2 0 0 0 16 5 1 0 0 0 17 30 2 0 0 0 18 10 1 0 0 0 19 10 2 0 0 0 20 22 1 0 0 0 21 20 1 0 0 0 22 25 2 0 0 0 23 4 1 0 0 0 24 18 2 0 0 0 25 19 1 0 0 0 26 16 1 0 0 0 27 21 1 0 0 0 28 21 2 0 0 0 29 27 2 0 0 0 30 28 1 0 0 0 24 22 1 0 0 0 7 8 1 0 0 0 29 17 1 0 0 0 M END > 9.09691001300806 > 6.34678748622466 $$$$ 11280715172D 1 1.00000 0.00000 0 33 34 0 0 0 999 V2000 0.6792 -0.4292 0.0000 S 0 0 3 0 0 0 0 0 0 0.0792 -0.4292 0.0000 N 0 0 3 0 0 0 0 0 0 -0.2208 -0.9417 0.0000 C 0 0 3 0 0 0 0 0 0 -1.7083 -1.6167 0.0000 S 0 0 3 0 0 0 0 0 0 0.0792 -1.4667 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8083 -1.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0.6792 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0.6792 -1.0292 0.0000 O 0 0 0 0 0 0 0 0 0 1.2792 -0.4417 0.0000 O 0 0 0 0 0 0 0 0 0 -0.3458 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 -2.2958 -1.4542 0.0000 O 0 0 0 0 0 0 0 0 0 -1.7083 -1.0167 0.0000 O 0 0 0 0 0 0 0 0 0 -1.1083 -1.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0.6542 -1.6167 0.0000 O 0 0 0 0 0 0 0 0 0 -2.0083 -2.1292 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0833 -2.0417 0.0000 N 0 0 0 0 0 0 0 0 0 1.2042 0.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0.1667 0.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0.6792 1.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0.1667 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 1.2042 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 -2.5958 -2.2792 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0833 -2.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0.6792 1.9708 0.0000 O 0 0 0 0 0 0 0 0 0 -0.9458 -0.0042 0.0000 C 0 0 3 0 0 0 0 0 0 -3.0208 -1.8542 0.0000 C 0 0 0 0 0 0 0 0 0 -2.7583 -2.8667 0.0000 C 0 0 0 0 0 0 0 0 0 1.1917 2.2708 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3708 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3708 0.4208 0.0000 C 0 0 0 0 0 0 0 0 0 -3.3333 -3.0167 0.0000 C 0 0 0 0 0 0 0 0 0 -3.6083 -2.0042 0.0000 C 0 0 0 0 0 0 0 0 0 -3.7583 -2.5917 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 13 1 0 0 0 5 3 1 0 0 0 6 3 1 0 0 0 7 1 1 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 2 1 0 0 0 11 4 2 0 0 0 12 4 2 0 0 0 13 6 1 0 0 0 14 5 2 0 0 0 15 4 1 0 0 0 16 5 1 0 0 0 17 7 2 0 0 0 18 7 1 0 0 0 19 20 1 0 0 0 20 18 2 0 0 0 21 17 1 0 0 0 22 15 1 0 0 0 23 16 1 0 0 0 24 19 1 0 0 0 25 10 1 0 0 0 26 22 2 0 0 0 27 22 1 0 0 0 28 24 1 0 0 0 29 25 1 0 0 0 30 25 1 0 0 0 31 27 2 0 0 0 32 26 1 0 0 0 33 31 1 0 0 0 19 21 2 0 0 0 33 32 2 0 0 0 M END > 7.92811799269387 > 6.40230481407449 $$$$ 11280715232D 1 1.00000 0.00000 0 27 28 0 0 0 999 V2000 5.1042 -3.7042 0.0000 S 0 0 3 0 0 0 0 0 0 4.4042 -3.3000 0.0000 N 0 0 3 0 0 0 0 0 0 4.3917 -0.8542 0.0000 N 0 3 0 0 0 0 0 0 0 3.7000 -3.7042 0.0000 C 0 0 0 0 0 0 0 0 0 5.1042 -2.0792 0.0000 C 0 0 0 0 0 0 0 0 0 5.1042 -1.2667 0.0000 C 0 0 0 0 0 0 0 0 0 2.9875 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 4.4042 -2.4875 0.0000 C 0 0 0 0 0 0 0 0 0 5.8167 -4.0917 0.0000 C 0 0 0 0 0 0 0 0 0 4.3625 -4.4167 0.0000 O 0 0 0 0 0 0 0 0 0 5.8042 -2.9792 0.0000 O 0 0 0 0 0 0 0 0 0 4.3917 -0.0417 0.0000 O 0 5 0 0 0 0 0 0 0 3.6000 -1.0250 0.0000 O 0 0 0 0 0 0 0 0 0 2.2875 -3.7042 0.0000 O 0 0 0 0 0 0 0 0 0 2.9875 -2.4875 0.0000 N 0 0 0 0 0 0 0 0 0 5.8375 -4.9125 0.0000 C 0 0 0 0 0 0 0 0 0 6.5167 -3.6750 0.0000 C 0 0 0 0 0 0 0 0 0 7.2417 -4.8750 0.0000 C 0 0 0 0 0 0 0 0 0 7.2250 -4.0542 0.0000 C 0 0 0 0 0 0 0 0 0 6.5500 -5.3000 0.0000 C 0 0 0 0 0 0 0 0 0 2.2875 -2.0792 0.0000 O 0 0 0 0 0 0 0 0 0 5.8125 -2.4875 0.0000 C 0 0 0 0 0 0 0 0 0 7.9542 -5.2667 0.0000 O 0 0 0 0 0 0 0 0 0 5.8042 -0.8542 0.0000 C 0 0 0 0 0 0 0 0 0 7.9792 -6.0792 0.0000 C 0 0 0 0 0 0 0 0 0 6.5167 -2.0792 0.0000 C 0 0 0 0 0 0 0 0 0 6.5167 -1.2667 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 6 1 0 0 0 4 2 1 0 0 0 5 8 1 0 0 0 6 5 1 0 0 0 7 4 1 0 0 0 8 2 1 0 0 0 9 1 1 0 0 0 10 1 2 0 0 0 11 1 2 0 0 0 12 3 1 0 0 0 13 3 2 0 0 0 14 7 2 0 0 0 15 7 1 0 0 0 16 9 2 0 0 0 17 9 1 0 0 0 18 19 1 0 0 0 19 17 2 0 0 0 20 16 1 0 0 0 21 15 1 0 0 0 22 5 2 0 0 0 23 18 1 0 0 0 24 6 2 0 0 0 25 23 1 0 0 0 26 22 1 0 0 0 27 26 2 0 0 0 20 18 2 0 0 0 24 27 1 0 0 0 M CHG 2 3 1 12 -1 M END > 7.61978875828839 > 7.61978875828839 $$$$ 11280715092D 1 1.00000 0.00000 0 33 35 0 0 0 999 V2000 6.0625 -2.0667 0.0000 S 0 0 3 0 0 0 0 0 0 5.4792 -1.9167 0.0000 N 0 0 0 0 0 0 0 0 0 4.9625 -2.2167 0.0000 C 0 0 3 0 0 0 0 0 0 4.9417 -4.0167 0.0000 N 0 0 3 0 0 0 0 0 0 4.9375 -4.6167 0.0000 C 0 0 0 0 0 0 0 0 0 4.4375 -1.9167 0.0000 C 0 0 0 0 0 0 0 0 0 6.6375 -1.9042 0.0000 C 0 0 0 0 0 0 0 0 0 6.3125 -1.5542 0.0000 O 0 0 0 0 0 0 0 0 0 6.2125 -2.6417 0.0000 O 0 0 0 0 0 0 0 0 0 4.9542 -2.8167 0.0000 C 0 0 3 0 0 0 0 0 0 5.4625 -3.7167 0.0000 C 0 0 0 0 0 0 0 0 0 4.4250 -3.7167 0.0000 C 0 0 0 0 0 0 0 0 0 4.4167 -4.9167 0.0000 O 0 0 0 0 0 0 0 0 0 7.6750 -1.3042 0.0000 C 0 0 0 0 0 0 0 0 0 8.1917 -1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 4.4375 -1.3167 0.0000 O 0 0 0 0 0 0 0 0 0 6.6375 -1.3167 0.0000 C 0 0 0 0 0 0 0 0 0 7.1542 -2.2042 0.0000 C 0 0 0 0 0 0 0 0 0 4.4292 -3.1167 0.0000 C 0 0 0 0 0 0 0 0 0 5.4750 -3.1167 0.0000 C 0 0 0 0 0 0 0 0 0 7.6750 -1.9042 0.0000 C 0 0 0 0 0 0 0 0 0 7.1500 -1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 8.7167 -1.2917 0.0000 C 0 0 0 0 0 0 0 0 0 8.1792 -0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 5.4542 -4.9167 0.0000 O 0 0 0 0 0 0 0 0 0 3.9125 -2.2292 0.0000 O 0 0 0 0 0 0 0 0 0 9.2250 -0.3792 0.0000 C 0 0 0 0 0 0 0 0 0 9.2375 -0.9917 0.0000 C 0 0 0 0 0 0 0 0 0 8.7000 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 9.7500 -0.0792 0.0000 O 0 0 0 0 0 0 0 0 0 5.4500 -5.5167 0.0000 C 0 0 0 0 0 0 0 0 0 10.3250 -0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 5.9667 -5.8167 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 11 1 0 0 0 5 4 1 0 0 0 6 3 1 0 0 0 7 1 1 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 3 1 0 0 0 11 20 1 0 0 0 12 19 1 0 0 0 13 5 2 0 0 0 14 21 2 0 0 0 15 14 1 0 0 0 16 6 2 0 0 0 17 7 1 0 0 0 18 7 2 0 0 0 19 10 1 0 0 0 20 10 1 0 0 0 21 18 1 0 0 0 22 17 2 0 0 0 23 15 2 0 0 0 24 15 1 0 0 0 25 5 1 0 0 0 26 6 1 0 0 0 27 29 1 0 0 0 28 23 1 0 0 0 29 24 2 0 0 0 30 27 1 0 0 0 31 25 1 0 0 0 32 30 1 0 0 0 33 31 1 0 0 0 22 14 1 0 0 0 12 4 1 0 0 0 28 27 2 0 0 0 M END > 8.26760624017703 > 5.55909091793478 $$$$ 11280715332D 1 1.00000 0.00000 0 33 36 0 1 0 999 V2000 5.4292 -2.4875 0.0000 S 0 0 3 0 0 0 0 0 0 5.6417 -3.2917 0.0000 N 0 0 3 0 0 0 0 0 0 5.0542 -3.8750 0.0000 C 0 0 1 0 0 0 0 0 0 4.2375 -3.7542 0.0000 C 0 0 0 0 0 0 0 0 0 6.3625 -3.6667 0.0000 C 0 0 0 0 0 0 0 0 0 6.2250 -4.4792 0.0000 C 0 0 0 0 0 0 0 0 0 5.4167 -4.6000 0.0000 C 0 0 0 0 0 0 0 0 0 6.2375 -2.2750 0.0000 C 0 0 0 0 0 0 0 0 0 6.7917 -5.0792 0.0000 N 0 0 0 0 0 0 0 0 0 5.2167 -1.6792 0.0000 O 0 0 0 0 0 0 0 0 0 4.6292 -2.7000 0.0000 O 0 0 0 0 0 0 0 0 0 3.9292 -2.9917 0.0000 O 0 0 0 0 0 0 0 0 0 3.7250 -4.4042 0.0000 N 0 0 0 0 0 0 0 0 0 10.3917 -3.3042 0.0000 N 0 0 0 0 0 0 0 0 0 7.5875 -4.8875 0.0000 O 0 0 0 0 0 0 0 0 0 6.4500 -1.4875 0.0000 C 0 0 0 0 0 0 0 0 0 6.8167 -2.8542 0.0000 C 0 0 0 0 0 0 0 0 0 8.6125 -1.6042 0.0000 O 0 0 0 0 0 0 0 0 0 9.2125 -2.1750 0.0000 C 0 0 0 0 0 0 0 0 0 7.8167 -1.8417 0.0000 C 0 0 0 0 0 0 0 0 0 7.6042 -2.6417 0.0000 C 0 0 0 0 0 0 0 0 0 7.2500 -1.2750 0.0000 C 0 0 0 0 0 0 0 0 0 8.1500 -5.4875 0.0000 C 0 0 0 0 0 0 0 0 0 2.9042 -4.2875 0.0000 O 0 0 0 0 0 0 0 0 0 9.0167 -2.9792 0.0000 C 0 0 0 0 0 0 0 0 0 9.9917 -1.9417 0.0000 C 0 0 0 0 0 0 0 0 0 10.5792 -2.5167 0.0000 C 0 0 0 0 0 0 0 0 0 9.6167 -3.5417 0.0000 C 0 0 0 0 0 0 0 0 0 7.9042 -6.2750 0.0000 C 0 0 0 0 0 0 0 0 0 8.9417 -5.3042 0.0000 C 0 0 0 0 0 0 0 0 0 9.5042 -5.9042 0.0000 C 0 0 0 0 0 0 0 0 0 8.4667 -6.8792 0.0000 C 0 0 0 0 0 0 0 0 0 9.2625 -6.6917 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 2 1 0 0 0 6 5 1 0 0 0 3 7 1 6 0 0 8 1 1 0 0 0 9 6 2 0 0 0 10 1 2 0 0 0 11 1 2 0 0 0 12 4 2 0 0 0 13 4 1 0 0 0 14 27 1 0 0 0 15 9 1 0 0 0 16 8 1 0 0 0 17 8 2 0 0 0 18 20 1 0 0 0 19 18 1 0 0 0 20 21 2 0 0 0 21 17 1 0 0 0 22 16 2 0 0 0 23 15 1 0 0 0 24 13 1 0 0 0 25 19 2 0 0 0 26 19 1 0 0 0 27 26 2 0 0 0 28 25 1 0 0 0 29 23 2 0 0 0 30 23 1 0 0 0 31 30 2 0 0 0 32 29 1 0 0 0 33 31 1 0 0 0 20 22 1 0 0 0 6 7 1 0 0 0 14 28 2 0 0 0 33 32 2 0 0 0 M END > 9.39794000867204 > 7.49485002168009 $$$$ 11280715172D 1 1.00000 0.00000 0 37 39 0 0 0 999 V2000 1.8792 -3.8750 0.0000 S 0 0 3 0 0 0 0 0 0 1.2792 -3.8750 0.0000 N 0 0 3 0 0 0 0 0 0 0.9792 -4.3792 0.0000 C 0 0 3 0 0 0 0 0 0 0.8542 -3.4500 0.0000 C 0 0 0 0 0 0 0 0 0 1.2792 -4.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0.2542 -3.4417 0.0000 C 0 0 0 0 0 0 0 0 0 1.8792 -3.2750 0.0000 C 0 0 0 0 0 0 0 0 0 1.8792 -4.4750 0.0000 O 0 0 0 0 0 0 0 0 0 2.4792 -3.8792 0.0000 O 0 0 0 0 0 0 0 0 0 -0.0458 -2.9250 0.0000 N 0 0 0 0 0 0 0 0 0 1.8542 -5.0625 0.0000 O 0 0 0 0 0 0 0 0 0 -0.0458 -3.9625 0.0000 O 0 0 0 0 0 0 0 0 0 1.1167 -5.4875 0.0000 N 0 0 0 0 0 0 0 0 0 0.3917 -4.5417 0.0000 C 0 0 0 0 0 0 0 0 0 2.4042 -2.9750 0.0000 C 0 0 0 0 0 0 0 0 0 1.3667 -2.9750 0.0000 C 0 0 0 0 0 0 0 0 0 1.8792 -2.0750 0.0000 C 0 0 0 0 0 0 0 0 0 1.3667 -2.3750 0.0000 C 0 0 0 0 0 0 0 0 0 2.4042 -2.3750 0.0000 C 0 0 0 0 0 0 0 0 0 -0.4958 -5.2125 0.0000 S 0 0 0 0 0 0 0 0 0 -0.0458 -2.3250 0.0000 C 0 0 3 0 0 0 0 0 0 1.1167 -6.0875 0.0000 O 0 0 0 0 0 0 0 0 0 1.8792 -1.4750 0.0000 O 0 0 0 0 0 0 0 0 0 -1.2333 -5.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0.0917 -5.0625 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6458 -5.7917 0.0000 C 0 0 0 0 0 0 0 0 0 2.3917 -1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 -1.6583 -5.5125 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3958 -6.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0.4667 -2.0167 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5708 -2.0250 0.0000 C 0 0 0 0 0 0 0 0 0 -1.9708 -6.6792 0.0000 C 0 0 0 0 0 0 0 0 0 -2.2458 -5.6667 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5708 -1.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0.4667 -1.4167 0.0000 C 0 0 0 0 0 0 0 0 0 -2.3958 -6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0583 -1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 2 1 0 0 0 5 3 1 0 0 0 6 4 1 0 0 0 7 1 1 0 0 0 8 1 2 0 0 0 9 1 2 0 0 0 10 6 1 0 0 0 11 5 2 0 0 0 12 6 2 0 0 0 13 5 1 0 0 0 14 3 1 0 0 0 15 7 2 0 0 0 16 7 1 0 0 0 17 18 1 0 0 0 18 16 2 0 0 0 19 15 1 0 0 0 20 25 1 0 0 0 21 10 1 0 0 0 22 13 1 0 0 0 23 17 1 0 0 0 24 26 1 0 0 0 25 14 1 0 0 0 26 20 1 0 0 0 27 23 1 0 0 0 28 24 2 0 0 0 29 24 1 0 0 0 30 21 1 0 0 0 31 21 1 0 0 0 32 29 2 0 0 0 33 28 1 0 0 0 34 31 1 0 0 0 35 30 1 0 0 0 36 32 1 0 0 0 37 34 1 0 0 0 17 19 2 0 0 0 37 35 1 0 0 0 36 33 2 0 0 0 M END > 9.09691001300806 > 7.79588001734407 $$$$ 11280715442D 1 1.00000 0.00000 0 33 36 0 1 0 999 V2000 3.6917 -1.2417 0.0000 S 0 0 3 0 0 0 0 0 0 3.6917 -0.4167 0.0000 N 0 0 3 0 0 0 0 0 0 4.4042 -0.0125 0.0000 C 0 0 1 0 0 0 0 0 0 5.1167 -0.4250 0.0000 C 0 0 0 0 0 0 0 0 0 3.6917 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0 4.4042 0.8125 0.0000 C 0 0 2 0 0 0 0 0 0 4.5167 -1.2417 0.0000 O 0 0 0 0 0 0 0 0 0 2.8667 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 5.0792 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 5.5292 -1.1375 0.0000 O 0 0 0 0 0 0 0 0 0 4.3750 -5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 5.8292 -0.0042 0.0000 N 0 0 0 0 0 0 0 0 0 6.5167 -6.2042 0.0000 N 0 0 0 0 0 0 0 0 0 4.3792 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 2.9875 -0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 2.9667 -2.4667 0.0000 C 0 0 0 0 0 0 0 0 0 4.3917 -2.4792 0.0000 C 0 0 0 0 0 0 0 0 0 3.6667 -4.5375 0.0000 O 0 0 0 0 0 0 0 0 0 5.0750 -7.0167 0.0000 C 0 0 0 0 0 0 0 0 0 3.6667 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 4.4042 1.6375 0.0000 O 0 0 0 0 0 0 0 0 0 4.3917 -3.3042 0.0000 C 0 0 0 0 0 0 0 0 0 2.9625 -3.2917 0.0000 C 0 0 0 0 0 0 0 0 0 5.8042 -5.7792 0.0000 C 0 0 0 0 0 0 0 0 0 6.5417 -0.4167 0.0000 O 0 0 0 0 0 0 0 0 0 3.6917 1.2333 0.0000 C 0 0 0 0 0 0 0 0 0 2.9875 0.8125 0.0000 C 0 0 0 0 0 0 0 0 0 5.2042 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 3.6417 -7.0042 0.0000 C 0 0 0 0 0 0 0 0 0 6.5042 -7.0375 0.0000 C 0 0 0 0 0 0 0 0 0 3.6542 -6.1792 0.0000 C 0 0 0 0 0 0 0 0 0 4.3542 -7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 5.7792 -7.4375 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 3 4 1 6 0 0 5 1 1 0 0 0 6 3 1 0 0 0 7 1 2 0 0 0 8 1 2 0 0 0 9 11 2 0 0 0 10 4 2 0 0 0 11 14 1 0 0 0 12 4 1 0 0 0 13 24 2 0 0 0 14 18 1 0 0 0 15 2 1 0 0 0 16 5 2 0 0 0 17 5 1 0 0 0 18 20 1 0 0 0 19 9 1 0 0 0 20 22 1 0 0 0 6 21 1 1 0 0 22 17 2 0 0 0 23 16 1 0 0 0 24 9 1 0 0 0 25 12 1 0 0 0 26 27 1 0 0 0 27 15 1 0 0 0 6 28 1 6 0 0 29 31 2 0 0 0 30 13 1 0 0 0 31 11 1 0 0 0 32 29 1 0 0 0 33 19 1 0 0 0 20 23 2 0 0 0 26 6 1 0 0 0 19 32 2 0 0 0 30 33 2 0 0 0 M END > 7.74472749489669 > 5.10790539730952 $$$$ 11280715002D 1 1.00000 0.00000 0 38 40 0 0 0 999 V2000 5.2625 -5.2292 0.0000 S 0 0 3 0 0 0 0 0 0 7.8667 -7.9250 0.0000 S 0 0 3 0 0 0 0 0 0 4.7417 -4.9250 0.0000 N 0 0 3 0 0 0 0 0 0 7.8625 -7.3167 0.0000 N 0 0 0 0 0 0 0 0 0 6.8375 -3.1125 0.0000 N 0 3 0 0 0 0 0 0 0 7.3417 -7.0167 0.0000 C 0 0 0 0 0 0 0 0 0 4.2167 -5.2292 0.0000 C 0 0 0 0 0 0 0 0 0 5.7875 -5.5167 0.0000 C 0 0 0 0 0 0 0 0 0 7.8625 -8.5292 0.0000 C 0 0 0 0 0 0 0 0 0 3.6917 -4.9250 0.0000 C 0 0 0 0 0 0 0 0 0 4.9625 -5.7500 0.0000 O 0 0 0 0 0 0 0 0 0 5.5792 -4.7042 0.0000 O 0 0 0 0 0 0 0 0 0 6.3167 -3.4167 0.0000 C 0 0 0 0 0 0 0 0 0 8.4667 -7.9292 0.0000 O 0 0 0 0 0 0 0 0 0 7.2625 -7.9250 0.0000 O 0 0 0 0 0 0 0 0 0 7.3417 -6.4167 0.0000 N 0 0 0 0 0 0 0 0 0 7.3625 -3.4167 0.0000 O 0 5 0 0 0 0 0 0 0 4.7417 -4.3167 0.0000 C 0 0 0 0 0 0 0 0 0 6.8375 -2.5042 0.0000 O 0 0 0 0 0 0 0 0 0 6.8167 -7.3292 0.0000 O 0 0 0 0 0 0 0 0 0 3.1750 -5.2292 0.0000 O 0 0 0 0 0 0 0 0 0 5.7792 -6.1167 0.0000 C 0 0 0 0 0 0 0 0 0 6.2917 -5.2167 0.0000 C 0 0 0 0 0 0 0 0 0 7.3375 -8.8292 0.0000 C 0 0 0 0 0 0 0 0 0 8.3792 -8.8292 0.0000 C 0 0 0 0 0 0 0 0 0 5.7875 -3.1125 0.0000 C 0 0 0 0 0 0 0 0 0 6.3167 -4.0167 0.0000 C 0 0 0 0 0 0 0 0 0 6.8125 -6.1167 0.0000 C 0 0 0 0 0 0 0 0 0 5.2625 -4.0167 0.0000 C 0 0 0 0 0 0 0 0 0 7.8500 -9.7292 0.0000 C 0 0 0 0 0 0 0 0 0 3.6917 -4.3167 0.0000 O 0 0 0 0 0 0 0 0 0 6.2917 -6.4167 0.0000 C 0 0 0 0 0 0 0 0 0 6.8125 -5.5167 0.0000 C 0 0 0 0 0 0 0 0 0 5.2625 -3.4167 0.0000 C 0 0 0 0 0 0 0 0 0 5.7917 -4.3167 0.0000 C 0 0 0 0 0 0 0 0 0 8.3667 -9.4292 0.0000 C 0 0 0 0 0 0 0 0 0 7.3292 -9.4250 0.0000 C 0 0 0 0 0 0 0 0 0 7.8417 -10.3375 0.0000 F 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 3 1 1 0 0 0 4 6 1 0 0 0 5 13 1 0 0 0 6 16 1 0 0 0 7 3 1 0 0 0 8 1 1 0 0 0 9 2 1 0 0 0 10 7 1 0 0 0 11 1 2 0 0 0 12 1 2 0 0 0 13 27 2 0 0 0 14 2 2 0 0 0 15 2 2 0 0 0 16 28 1 0 0 0 17 5 1 0 0 0 18 3 1 0 0 0 19 5 2 0 0 0 20 6 2 0 0 0 21 10 2 0 0 0 22 8 2 0 0 0 23 8 1 0 0 0 24 9 2 0 0 0 25 9 1 0 0 0 26 34 2 0 0 0 27 35 1 0 0 0 28 33 1 0 0 0 29 18 1 0 0 0 30 36 1 0 0 0 31 10 1 0 0 0 32 22 1 0 0 0 33 23 2 0 0 0 34 29 1 0 0 0 35 29 2 0 0 0 36 25 2 0 0 0 37 24 1 0 0 0 38 30 1 0 0 0 32 28 2 0 0 0 13 26 1 0 0 0 37 30 2 0 0 0 M CHG 2 5 1 17 -1 M END > 7.53760200210104 > 7.53760200210104 $$$$ 11280714592D 1 1.00000 0.00000 0 37 39 0 0 0 999 V2000 4.1792 -7.2292 0.0000 S 0 0 3 0 0 0 0 0 0 7.8500 -7.2167 0.0000 S 0 0 3 0 0 0 0 0 0 3.6542 -6.9292 0.0000 N 0 0 3 0 0 0 0 0 0 7.2792 -7.0250 0.0000 N 0 0 0 0 0 0 0 0 0 5.7500 -5.1167 0.0000 N 0 3 0 0 0 0 0 0 0 6.8167 -7.4167 0.0000 C 0 0 0 0 0 0 0 0 0 4.7042 -7.5292 0.0000 C 0 0 0 0 0 0 0 0 0 3.1417 -7.2292 0.0000 C 0 0 0 0 0 0 0 0 0 3.8792 -7.7542 0.0000 O 0 0 0 0 0 0 0 0 0 4.4917 -6.7042 0.0000 O 0 0 0 0 0 0 0 0 0 2.6167 -6.9292 0.0000 C 0 0 0 0 0 0 0 0 0 5.2167 -7.2250 0.0000 C 0 0 0 0 0 0 0 0 0 5.2292 -5.4167 0.0000 C 0 0 0 0 0 0 0 0 0 8.0542 -6.6417 0.0000 O 0 0 0 0 0 0 0 0 0 7.6500 -7.7917 0.0000 O 0 0 0 0 0 0 0 0 0 6.2542 -7.2167 0.0000 N 0 0 0 0 0 0 0 0 0 8.4167 -7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 6.2792 -5.4167 0.0000 O 0 5 0 0 0 0 0 0 0 3.6542 -6.3292 0.0000 C 0 0 0 0 0 0 0 0 0 5.7500 -4.5167 0.0000 O 0 0 0 0 0 0 0 0 0 5.7292 -7.5292 0.0000 C 0 0 0 0 0 0 0 0 0 6.8292 -7.9917 0.0000 O 0 0 0 0 0 0 0 0 0 2.0917 -7.2292 0.0000 O 0 0 0 0 0 0 0 0 0 4.7042 -5.1167 0.0000 C 0 0 0 0 0 0 0 0 0 5.2292 -6.0250 0.0000 C 0 0 0 0 0 0 0 0 0 4.1792 -6.0250 0.0000 C 0 0 0 0 0 0 0 0 0 2.6167 -6.3292 0.0000 O 0 0 0 0 0 0 0 0 0 4.1792 -5.4167 0.0000 C 0 0 0 0 0 0 0 0 0 4.7042 -6.3292 0.0000 C 0 0 0 0 0 0 0 0 0 4.7000 -8.1292 0.0000 C 0 0 0 0 0 0 0 0 0 5.2167 -8.4167 0.0000 C 0 0 0 0 0 0 0 0 0 5.7292 -8.1292 0.0000 C 0 0 0 0 0 0 0 0 0 8.5292 -8.0167 0.0000 C 0 0 0 0 0 0 0 0 0 8.8667 -7.0292 0.0000 C 0 0 0 0 0 0 0 0 0 9.4375 -7.2250 0.0000 C 0 0 0 0 0 0 0 0 0 9.0917 -8.2167 0.0000 C 0 0 0 0 0 0 0 0 0 9.5500 -7.8250 0.0000 C 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 3 1 1 0 0 0 4 6 1 0 0 0 5 13 1 0 0 0 6 16 1 0 0 0 7 1 1 0 0 0 8 3 1 0 0 0 9 1 2 0 0 0 10 1 2 0 0 0 11 8 1 0 0 0 12 7 1 0 0 0 13 25 2 0 0 0 14 2 2 0 0 0 15 2 2 0 0 0 16 21 1 0 0 0 17 2 1 0 0 0 18 5 1 0 0 0 19 3 1 0 0 0 20 5 2 0 0 0 21 12 2 0 0 0 22 6 2 0 0 0 23 11 2 0 0 0 24 28 2 0 0 0 25 29 1 0 0 0 26 19 1 0 0 0 27 11 1 0 0 0 28 26 1 0 0 0 29 26 2 0 0 0 30 7 2 0 0 0 31 30 1 0 0 0 32 31 2 0 0 0 33 17 2 0 0 0 34 17 1 0 0 0 35 34 2 0 0 0 36 33 1 0 0 0 37 35 1 0 0 0 21 32 1 0 0 0 24 13 1 0 0 0 36 37 2 0 0 0 M CHG 2 5 1 18 -1 M END > 7.55284196865778 > 7.55284196865778 $$$$ 11280715312D 1 1.00000 0.00000 0 30 32 0 1 0 999 V2000 2.0417 -1.3250 0.0000 N 0 0 3 0 0 0 0 0 0 2.0417 -0.7250 0.0000 S 0 0 3 0 0 0 0 0 0 2.7000 -2.7292 0.0000 N 0 0 3 0 0 0 0 0 0 3.3042 -2.7292 0.0000 C 0 0 0 0 0 0 0 0 0 1.5625 -1.6750 0.0000 C 0 0 2 0 0 0 0 0 0 2.5167 -3.3042 0.0000 C 0 0 0 0 0 0 0 0 0 2.3417 -2.2500 0.0000 C 0 0 2 0 0 0 0 0 0 3.4875 -3.3042 0.0000 N 0 0 3 0 0 0 0 0 0 2.5292 -1.6750 0.0000 C 0 0 0 0 0 0 0 0 0 1.7417 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0.9917 -1.4917 0.0000 C 0 0 0 0 0 0 0 0 0 3.0042 -3.6542 0.0000 C 0 0 0 0 0 0 0 0 0 2.5667 -0.4250 0.0000 C 0 0 0 0 0 0 0 0 0 2.0375 -0.1250 0.0000 O 0 0 0 0 0 0 0 0 0 1.4625 -0.5667 0.0000 O 0 0 0 0 0 0 0 0 0 3.6542 -2.2417 0.0000 O 0 0 0 0 0 0 0 0 0 2.0542 -3.4917 0.0000 O 0 0 0 0 0 0 0 0 0 0.8667 -0.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0.5417 -1.8917 0.0000 N 0 0 0 0 0 0 0 0 0 2.5667 0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 3.0875 -0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 4.0542 -3.4875 0.0000 C 0 0 0 0 0 0 0 0 0 3.6042 0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 3.0792 0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 3.6042 -0.4250 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0250 -1.7042 0.0000 O 0 0 0 0 0 0 0 0 0 4.1250 0.4750 0.0000 O 0 0 0 0 0 0 0 0 0 4.6417 0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 5.1625 0.4833 0.0000 C 0 0 0 0 0 0 0 0 0 5.6792 0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 7 3 1 1 0 0 4 3 1 0 0 0 5 1 1 0 0 0 6 3 1 0 0 0 7 9 1 0 0 0 8 4 1 0 0 0 9 1 1 0 0 0 5 10 1 6 0 0 11 5 1 0 0 0 12 6 1 0 0 0 13 2 1 0 0 0 14 2 2 0 0 0 15 2 2 0 0 0 16 4 2 0 0 0 17 6 2 0 0 0 18 11 2 0 0 0 19 11 1 0 0 0 20 13 1 0 0 0 21 13 2 0 0 0 22 8 1 0 0 0 23 25 2 0 0 0 24 20 2 0 0 0 25 21 1 0 0 0 26 19 1 0 0 0 27 23 1 0 0 0 28 27 1 0 0 0 29 28 1 0 0 0 30 29 1 0 0 0 7 10 1 0 0 0 23 24 1 0 0 0 8 12 1 0 0 0 M END > 9.52287874528034 > 6.58502665202918 $$$$ 11280715292D 1 1.00000 0.00000 0 23 24 0 1 0 999 V2000 5.6250 -7.1417 0.0000 S 0 0 3 0 0 0 0 0 0 5.6042 -7.9667 0.0000 N 0 0 3 0 0 0 0 0 0 4.8625 -8.3042 0.0000 C 0 0 2 0 0 0 0 0 0 4.2292 -7.7917 0.0000 C 0 0 0 0 0 0 0 0 0 5.6167 -6.3167 0.0000 C 0 0 0 0 0 0 0 0 0 4.8000 -7.1292 0.0000 O 0 0 0 0 0 0 0 0 0 6.4042 -6.9292 0.0000 O 0 0 0 0 0 0 0 0 0 4.2167 -6.9667 0.0000 O 0 0 0 0 0 0 0 0 0 5.2292 -9.8000 0.0000 S 0 0 0 0 0 0 0 0 0 3.4750 -8.1500 0.0000 N 0 0 0 0 0 0 0 0 0 4.6625 -9.1167 0.0000 C 0 0 0 0 0 0 0 0 0 6.3292 -5.8917 0.0000 C 0 0 0 0 0 0 0 0 0 4.8917 -5.9042 0.0000 C 0 0 0 0 0 0 0 0 0 6.3542 -8.3375 0.0000 C 0 0 0 0 0 0 0 0 0 5.4375 -8.8917 0.0000 C 0 0 0 0 0 0 0 0 0 5.6042 -4.6542 0.0000 C 0 0 0 0 0 0 0 0 0 6.3250 -5.0542 0.0000 C 0 0 0 0 0 0 0 0 0 4.8875 -5.0750 0.0000 C 0 0 0 0 0 0 0 0 0 2.8000 -7.6792 0.0000 O 0 0 0 0 0 0 0 0 0 6.5375 -9.1417 0.0000 C 0 0 0 0 0 0 0 0 0 5.5917 -3.8292 0.0000 O 0 0 0 0 0 0 0 0 0 6.0042 -9.7875 0.0000 C 0 0 0 0 0 0 0 0 0 6.3042 -3.4042 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 3 4 1 6 0 0 5 1 1 0 0 0 6 1 2 0 0 0 7 1 2 0 0 0 8 4 2 0 0 0 9 11 1 0 0 0 10 4 1 0 0 0 11 3 1 0 0 0 12 5 2 0 0 0 13 5 1 0 0 0 14 2 1 0 0 0 15 3 1 0 0 0 16 18 1 0 0 0 17 12 1 0 0 0 18 13 2 0 0 0 19 10 1 0 0 0 20 14 1 0 0 0 21 16 1 0 0 0 22 20 1 0 0 0 23 21 1 0 0 0 16 17 2 0 0 0 22 9 1 0 0 0 M END > 8.39794000867204 > 6.66354026615147 $$$$ 11280715452D 1 1.00000 0.00000 0 30 32 0 1 0 999 V2000 -0.0333 0.0333 0.0000 S 0 0 3 0 0 0 0 0 0 -0.0333 0.8583 0.0000 N 0 0 3 0 0 0 0 0 0 0.6792 1.2625 0.0000 C 0 0 1 0 0 0 0 0 0 1.3917 0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0375 -0.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0.6792 2.0875 0.0000 C 0 0 2 0 0 0 0 0 0 0.7917 0.0333 0.0000 O 0 0 0 0 0 0 0 0 0 -0.8583 0.0333 0.0000 O 0 0 0 0 0 0 0 0 0 1.8000 0.1375 0.0000 O 0 0 0 0 0 0 0 0 0 2.1042 1.2708 0.0000 N 0 0 0 0 0 0 0 0 0 1.3625 -3.2625 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7458 1.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0.6500 -3.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0.6667 -1.2042 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7583 -1.1917 0.0000 C 0 0 0 0 0 0 0 0 0 2.0667 -3.6792 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0625 -3.2667 0.0000 O 0 0 0 0 0 0 0 0 0 -0.0583 -2.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0.6750 2.9125 0.0000 O 0 0 0 0 0 0 0 0 0 0.6625 -2.0292 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7708 -2.0167 0.0000 C 0 0 0 0 0 0 0 0 0 2.8167 0.8583 0.0000 O 0 0 0 0 0 0 0 0 0 -0.0333 2.5083 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7458 2.0875 0.0000 C 0 0 0 0 0 0 0 0 0 1.4750 2.3083 0.0000 C 0 0 0 0 0 0 0 0 0 1.3542 -2.4417 0.0000 C 0 0 0 0 0 0 0 0 0 2.0667 -4.5042 0.0000 C 0 0 0 0 0 0 0 0 0 2.7875 -3.2667 0.0000 C 0 0 0 0 0 0 0 0 0 2.7875 -2.4417 0.0000 C 0 0 0 0 0 0 0 0 0 2.0667 -2.0292 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 3 4 1 6 0 0 5 1 1 0 0 0 6 3 1 0 0 0 7 1 2 0 0 0 8 1 2 0 0 0 9 4 2 0 0 0 10 4 1 0 0 0 11 13 1 0 0 0 12 2 1 0 0 0 13 17 1 0 0 0 14 5 1 0 0 0 15 5 2 0 0 0 16 11 2 0 0 0 17 18 1 0 0 0 18 21 2 0 0 0 6 19 1 1 0 0 20 14 2 0 0 0 21 15 1 0 0 0 22 10 1 0 0 0 23 24 1 0 0 0 24 12 1 0 0 0 6 25 1 6 0 0 26 11 1 0 0 0 27 16 1 0 0 0 28 16 1 0 0 0 29 30 1 0 0 0 30 26 2 0 0 0 18 20 1 0 0 0 23 6 1 0 0 0 29 28 2 0 0 0 M END > 9.18708664335714 > 6.50863830616573 $$$$ 11280715532D 1 1.00000 0.00000 0 32 34 0 0 0 999 V2000 7.3585 -13.6585 0.0000 C 0 0 0 0 0 0 0 0 0 7.3585 -14.4879 0.0000 C 0 0 0 0 0 0 0 0 0 8.0727 -14.9002 0.0000 N 0 0 3 0 0 0 0 0 0 8.7916 -14.4879 0.0000 C 0 0 0 0 0 0 0 0 0 8.7916 -13.6585 0.0000 C 0 0 0 0 0 0 0 0 0 8.0727 -13.2416 0.0000 C 0 0 3 0 0 0 0 0 0 7.3539 -12.8293 0.0000 C 0 0 0 0 0 0 0 0 0 8.7830 -12.8225 0.0000 C 0 0 0 0 0 0 0 0 0 8.7751 -11.9977 0.0000 S 0 0 3 0 0 0 0 0 0 8.7697 -11.1706 0.0000 C 0 0 0 0 0 0 0 0 0 7.9504 -12.0043 0.0000 O 0 0 0 0 0 0 0 0 0 9.5998 -11.9935 0.0000 O 0 0 0 0 0 0 0 0 0 7.3516 -12.0045 0.0000 O 0 0 0 0 0 0 0 0 0 6.6408 -13.2436 0.0000 N 0 0 0 0 0 0 0 0 0 5.9255 -12.8332 0.0000 O 0 0 0 0 0 0 0 0 0 9.4857 -10.7542 0.0000 C 0 0 0 0 0 0 0 0 0 9.4806 -9.9278 0.0000 C 0 0 0 0 0 0 0 0 0 8.7610 -9.5181 0.0000 C 0 0 0 0 0 0 0 0 0 8.0451 -9.9408 0.0000 C 0 0 0 0 0 0 0 0 0 8.0536 -10.7658 0.0000 C 0 0 0 0 0 0 0 0 0 8.7545 -8.6935 0.0000 O 0 0 0 0 0 0 0 0 0 9.4656 -8.2755 0.0000 C 0 0 0 0 0 0 0 0 0 9.4591 -7.4508 0.0000 C 0 0 0 0 0 0 0 0 0 9.4524 -6.6254 0.0000 C 0 0 0 0 0 0 0 0 0 9.4458 -5.8006 0.0000 C 0 0 0 0 0 0 0 0 0 8.0715 -15.7250 0.0000 C 0 0 0 0 0 0 0 0 0 7.3570 -16.1361 0.0000 C 0 0 0 0 0 0 0 0 0 8.7852 -16.1383 0.0000 O 0 0 0 0 0 0 0 0 0 6.5857 -15.8526 0.0000 C 0 0 0 0 0 0 0 0 0 6.0729 -16.4987 0.0000 C 0 0 0 0 0 0 0 0 0 6.5289 -17.1859 0.0000 C 0 0 0 0 0 0 0 0 0 7.3234 -16.9645 0.0000 S 0 0 0 0 0 0 0 0 0 10 16 2 0 0 0 6 8 1 0 0 0 16 17 1 0 0 0 1 6 1 0 0 0 17 18 2 0 0 0 8 9 1 0 0 0 18 19 1 0 0 0 2 3 1 0 0 0 19 20 2 0 0 0 20 10 1 0 0 0 9 10 1 0 0 0 18 21 1 0 0 0 3 4 1 0 0 0 21 22 1 0 0 0 9 11 2 0 0 0 22 23 1 0 0 0 4 5 1 0 0 0 23 24 3 0 0 0 9 12 2 0 0 0 24 25 1 0 0 0 5 6 1 0 0 0 3 26 1 0 0 0 7 13 2 0 0 0 26 27 1 0 0 0 26 28 2 0 0 0 27 29 2 0 0 0 7 14 1 0 0 0 6 7 1 0 0 0 14 15 1 0 0 0 1 2 1 0 0 0 29 30 1 0 0 0 30 31 2 0 0 0 31 32 1 0 0 0 32 27 1 0 0 0 M END > 8 > 5.56863623584101 $$$$