SciTegic07110717442D 18 20 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.7770 1.0106 0.0000 C 0 0 3.8362 -0.0335 0.0000 C 0 0 5.1595 0.6728 0.0000 N 0 0 4.8966 2.1496 0.0000 C 0 0 3.4109 2.3560 0.0000 N 0 0 3.6208 -1.5187 0.0000 C 0 0 4.8731 -2.3477 0.0000 C 0 0 4.7765 -3.8446 0.0000 C 0 0 3.4318 -4.5093 0.0000 N 0 0 2.1838 -3.6772 0.0000 C 0 0 2.2804 -2.1803 0.0000 C 0 0 -2.3383 -1.3500 0.0000 F 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 18 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 11 1 0 7 8 2 0 8 9 1 0 8 12 1 0 9 10 1 0 10 11 2 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 M END > ZINC00007301 > 1 $$$$ SciTegic07110717442D 21 23 0 0 0 0 999 V2000 4.0255 1.7151 0.0000 C 0 0 4.7373 0.3938 0.0000 C 0 0 1 0 0 0 6.2374 0.3502 0.0000 C 0 0 3.9511 -0.8815 0.0000 N 0 0 4.9531 -1.9978 0.0000 C 0 0 4.2010 -3.2956 0.0000 N 0 0 2.7343 -2.9815 0.0000 C 0 0 2.5987 -1.5004 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 N 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.0198 -4.3012 0.0000 C 0 0 2.9092 -5.5113 0.0000 C 0 0 2.3020 -6.8830 0.0000 C 0 0 0.8106 -7.0430 0.0000 C 0 0 -0.0737 -5.8314 0.0000 C 0 0 0.5334 -4.4597 0.0000 C 0 0 0.3249 -8.1403 0.0000 F 0 0 2 1 1 1 2 3 1 0 2 4 1 0 4 8 1 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 7 15 1 0 8 9 1 0 9 14 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 18 21 1 0 19 20 1 0 M END > ZINC03815730 > 1 $$$$ SciTegic07110717442D 22 24 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.7770 1.0106 0.0000 C 0 0 3.8362 -0.0335 0.0000 C 0 0 5.1595 0.6728 0.0000 N 0 0 4.8966 2.1496 0.0000 C 0 0 3.4109 2.3560 0.0000 N 0 0 6.5071 0.0182 0.0000 C 0 0 7.7505 0.8586 0.0000 C 0 0 9.1005 0.2029 0.0000 C 0 0 3.6208 -1.5187 0.0000 C 0 0 4.8731 -2.3477 0.0000 C 0 0 4.7765 -3.8446 0.0000 C 0 0 3.4318 -4.5093 0.0000 N 0 0 2.1838 -3.6772 0.0000 C 0 0 2.2804 -2.1803 0.0000 C 0 0 -2.3383 -1.3500 0.0000 F 0 0 10.3440 1.0433 0.0000 N 0 3 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 21 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 11 1 0 7 8 2 0 8 9 1 0 8 15 1 0 9 10 1 0 9 12 1 0 10 11 2 0 12 13 1 0 13 14 1 0 14 22 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 M CHG 1 22 1 M END > ZINC03810100 > 1 $$$$ SciTegic07110717442D 22 24 0 0 0 0 999 V2000 6.3005 -4.8255 0.0000 C 0 0 4.8082 -4.6653 0.0000 C 0 0 2 0 0 0 3.9238 -5.8778 0.0000 C 0 0 5.4259 -6.0651 0.0000 C 0 0 4.2010 -3.2956 0.0000 C 0 0 4.9531 -1.9978 0.0000 N 0 0 3.9511 -0.8815 0.0000 C 0 0 2.5987 -1.5004 0.0000 C 0 0 2.7343 -2.9815 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.3383 1.3500 0.0000 F 0 0 4.7408 0.3947 0.0000 C 0 0 6.2330 0.2248 0.0000 C 0 0 7.1212 1.4336 0.0000 C 0 0 6.5183 2.8071 0.0000 N 0 0 5.0274 2.9719 0.0000 C 0 0 4.1393 1.7631 0.0000 C 0 0 1 2 1 0 2 3 1 0 2 4 1 0 2 5 1 6 5 6 2 0 5 9 1 0 6 7 1 0 7 8 2 0 7 17 1 0 8 9 1 0 8 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 13 16 1 0 14 15 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 M END > ZINC03815763 > 1 $$$$ SciTegic07110717442D 22 24 0 0 0 0 999 V2000 6.3005 -4.8255 0.0000 C 0 0 4.8082 -4.6653 0.0000 C 0 0 2 0 0 0 3.9238 -5.8778 0.0000 C 0 0 4.2010 -3.2956 0.0000 C 0 0 4.9531 -1.9978 0.0000 N 0 0 3.9511 -0.8815 0.0000 C 0 0 2.5987 -1.5004 0.0000 C 0 0 2.7343 -2.9815 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.3383 1.3500 0.0000 F 0 0 4.7408 0.3947 0.0000 C 0 0 6.2330 0.2248 0.0000 C 0 0 7.1212 1.4336 0.0000 C 0 0 6.5183 2.8071 0.0000 N 0 0 5.0274 2.9719 0.0000 C 0 0 4.1393 1.7631 0.0000 C 0 0 5.4311 -6.0628 0.0000 O 0 0 1 2 1 0 2 3 1 0 2 4 1 0 2 22 1 1 4 5 2 0 4 8 1 0 5 6 1 0 6 7 2 0 6 16 1 0 7 8 1 0 7 9 1 0 9 14 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 12 15 1 0 13 14 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 M END > ZINC03815767 > 1 $$$$ SciTegic07110717442D 23 25 0 0 0 0 999 V2000 7.7086 4.4721 0.0000 C 0 0 7.4054 3.0023 0.0000 S 0 0 5.9811 2.5290 0.0000 C 0 0 5.6780 1.0591 0.0000 C 0 0 4.2537 0.5858 0.0000 C 0 0 3.9511 -0.8815 0.0000 N 0 0 4.9531 -1.9978 0.0000 C 0 0 4.2010 -3.2956 0.0000 N 0 0 2.7343 -2.9815 0.0000 C 0 0 2.5987 -1.5004 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 N 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.0198 -4.3012 0.0000 C 0 0 2.9092 -5.5113 0.0000 C 0 0 2.3020 -6.8830 0.0000 C 0 0 0.8106 -7.0430 0.0000 C 0 0 -0.0737 -5.8314 0.0000 C 0 0 0.5334 -4.4597 0.0000 C 0 0 0.3249 -8.1403 0.0000 F 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 10 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 9 17 1 0 10 11 1 0 11 16 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 20 23 1 0 21 22 1 0 M END > ZINC03815740 > 1 $$$$ SciTegic07110717442D 24 26 0 0 0 0 999 V2000 9.1328 4.9454 0.0000 C 0 0 7.7086 4.4721 0.0000 C 0 0 7.4054 3.0023 0.0000 O 0 0 5.9811 2.5290 0.0000 C 0 0 5.6780 1.0591 0.0000 C 0 0 4.2537 0.5858 0.0000 C 0 0 3.9511 -0.8815 0.0000 N 0 0 4.9531 -1.9978 0.0000 C 0 0 4.2010 -3.2956 0.0000 N 0 0 2.7343 -2.9815 0.0000 C 0 0 2.5987 -1.5004 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 N 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.0198 -4.3012 0.0000 C 0 0 2.9092 -5.5113 0.0000 C 0 0 2.3020 -6.8830 0.0000 C 0 0 0.8106 -7.0430 0.0000 C 0 0 -0.0737 -5.8314 0.0000 C 0 0 0.5334 -4.4597 0.0000 C 0 0 0.3249 -8.1403 0.0000 F 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 11 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 10 18 1 0 11 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 18 23 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 21 24 1 0 22 23 1 0 M END > ZINC03815726 > 1 $$$$ SciTegic07110717442D 24 26 0 0 0 0 999 V2000 7.7086 4.4721 0.0000 C 0 0 7.4054 3.0023 0.0000 C 0 0 8.3022 2.2050 0.0000 O 0 0 5.9811 2.5290 0.0000 O 0 0 5.6780 1.0591 0.0000 C 0 0 4.2537 0.5858 0.0000 C 0 0 3.9511 -0.8815 0.0000 N 0 0 4.9531 -1.9978 0.0000 C 0 0 4.2010 -3.2956 0.0000 N 0 0 2.7343 -2.9815 0.0000 C 0 0 2.5987 -1.5004 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 N 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.0198 -4.3012 0.0000 C 0 0 2.9092 -5.5113 0.0000 C 0 0 2.3020 -6.8830 0.0000 C 0 0 0.8106 -7.0430 0.0000 C 0 0 -0.0737 -5.8314 0.0000 C 0 0 0.5334 -4.4597 0.0000 C 0 0 0.3249 -8.1403 0.0000 F 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 11 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 10 18 1 0 11 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 18 23 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 21 24 1 0 22 23 1 0 M END > ZINC03815706 > 1 $$$$ SciTegic07110717442D 25 27 0 0 0 0 999 V2000 9.1328 4.9454 0.0000 C 0 0 7.7086 4.4721 0.0000 O 0 0 7.4054 3.0023 0.0000 C 0 0 8.3022 2.2050 0.0000 O 0 0 5.9811 2.5290 0.0000 C 0 0 5.6780 1.0591 0.0000 C 0 0 4.2537 0.5858 0.0000 C 0 0 3.9511 -0.8815 0.0000 N 0 0 4.9531 -1.9978 0.0000 C 0 0 4.2010 -3.2956 0.0000 N 0 0 2.7343 -2.9815 0.0000 C 0 0 2.5987 -1.5004 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 N 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.0198 -4.3012 0.0000 C 0 0 2.9092 -5.5113 0.0000 C 0 0 2.3020 -6.8830 0.0000 C 0 0 0.8106 -7.0430 0.0000 C 0 0 -0.0737 -5.8314 0.0000 C 0 0 0.5334 -4.4597 0.0000 C 0 0 0.3249 -8.1403 0.0000 F 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 12 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 11 19 1 0 12 13 1 0 13 18 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 19 24 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 22 25 1 0 23 24 1 0 M END > ZINC03815750 > 1 $$$$ SciTegic07110717442D 25 27 0 0 0 0 999 V2000 7.7086 4.4721 0.0000 C 0 0 7.4054 3.0023 0.0000 S 0 0 2 0 0 0 8.3022 2.2050 0.0000 O 0 0 6.5085 3.7995 0.0000 O 0 0 5.9811 2.5290 0.0000 C 0 0 5.6780 1.0591 0.0000 C 0 0 4.2537 0.5858 0.0000 C 0 0 3.9511 -0.8815 0.0000 N 0 0 4.9531 -1.9978 0.0000 C 0 0 4.2010 -3.2956 0.0000 N 0 0 2.7343 -2.9815 0.0000 C 0 0 2.5987 -1.5004 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 N 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.0198 -4.3012 0.0000 C 0 0 2.9092 -5.5113 0.0000 C 0 0 2.3020 -6.8830 0.0000 C 0 0 0.8106 -7.0430 0.0000 C 0 0 -0.0737 -5.8314 0.0000 C 0 0 0.5334 -4.4597 0.0000 C 0 0 0.3249 -8.1403 0.0000 F 0 0 2 1 1 1 2 3 2 0 2 4 2 0 2 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 12 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 11 19 1 0 12 13 1 0 13 18 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 19 24 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 22 25 1 0 23 24 1 0 M END > ZINC03815773 > 1 $$$$ SciTegic07110717442D 26 28 0 0 0 0 999 V2000 9.1328 4.9454 0.0000 C 0 0 7.7086 4.4721 0.0000 C 0 0 8.5270 2.0052 0.0000 C 0 0 8.2252 0.5350 0.0000 C 0 0 5.9811 2.5290 0.0000 C 0 0 5.6780 1.0591 0.0000 C 0 0 4.2537 0.5858 0.0000 C 0 0 3.9511 -0.8815 0.0000 N 0 0 4.9531 -1.9978 0.0000 C 0 0 4.2010 -3.2956 0.0000 N 0 0 2.7343 -2.9815 0.0000 C 0 0 2.5987 -1.5004 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 N 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.0198 -4.3012 0.0000 C 0 0 2.9092 -5.5113 0.0000 C 0 0 2.3020 -6.8830 0.0000 C 0 0 0.8106 -7.0430 0.0000 C 0 0 -0.0737 -5.8314 0.0000 C 0 0 0.5334 -4.4597 0.0000 C 0 0 0.3249 -8.1403 0.0000 F 0 0 7.4054 3.0023 0.0000 N 0 3 1 2 1 0 2 26 1 0 3 4 1 0 3 26 1 0 5 6 1 0 5 26 1 0 6 7 1 0 7 8 1 0 8 12 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 11 19 1 0 12 13 1 0 13 18 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 19 24 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 22 25 1 0 23 24 1 0 M CHG 1 26 1 M END > ZINC03815749 > 1 $$$$ SciTegic07110717442D 20 21 0 0 0 0 999 V2000 4.8953 -10.1313 0.0000 C 0 0 5.5097 -8.7620 0.0000 C 0 0 2 0 0 0 7.0027 -8.6098 0.0000 C 0 0 6.4068 -10.0013 0.0000 C 0 0 4.6332 -7.5468 0.0000 C 0 0 5.1017 -6.1218 0.0000 C 0 0 3.8912 -5.2578 0.0000 C 0 0 2.6747 -6.1134 0.0000 O 0 0 3.1332 -7.5416 0.0000 N 0 0 3.8933 -3.7570 0.0000 N 0 0 2.5951 -3.0039 0.0000 C 0 0 1.5548 -3.6021 0.0000 O 0 0 2.5973 -1.5031 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.3383 1.3500 0.0000 Cl 0 0 1 2 1 0 2 3 1 0 2 4 1 0 2 5 1 1 5 9 2 0 5 6 1 0 6 7 2 0 7 8 1 0 7 10 1 0 8 9 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 17 20 1 0 18 19 1 0 M END > ZINC03834001 > 2 $$$$ SciTegic07110717442D 20 21 0 0 0 0 999 V2000 4.8953 -10.1313 0.0000 C 0 0 5.5097 -8.7620 0.0000 C 0 0 1 0 0 0 7.0027 -8.6098 0.0000 C 0 0 4.6332 -7.5468 0.0000 C 0 0 5.1017 -6.1218 0.0000 C 0 0 3.8912 -5.2578 0.0000 C 0 0 2.6747 -6.1134 0.0000 O 0 0 3.1332 -7.5416 0.0000 N 0 0 3.8933 -3.7570 0.0000 N 0 0 2.5951 -3.0039 0.0000 C 0 0 1.5548 -3.6021 0.0000 O 0 0 2.5973 -1.5031 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.3383 1.3500 0.0000 Cl 0 0 0.0000 2.7000 0.0000 Cl 0 0 2 1 1 6 2 3 1 0 2 4 1 0 4 8 2 0 4 5 1 0 5 6 2 0 6 7 1 0 6 9 1 0 7 8 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 18 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 17 20 1 0 18 19 1 0 M END > ZINC03834003 > 2 $$$$ SciTegic07110717442D 20 21 0 0 0 0 999 V2000 4.8953 -10.1313 0.0000 C 0 0 5.5097 -8.7620 0.0000 C 0 0 2 0 0 0 7.0027 -8.6098 0.0000 C 0 0 6.4068 -10.0013 0.0000 C 0 0 4.6332 -7.5468 0.0000 C 0 0 5.1017 -6.1218 0.0000 C 0 0 3.8912 -5.2578 0.0000 C 0 0 2.6747 -6.1134 0.0000 N 0 0 3.1332 -7.5416 0.0000 O 0 0 3.8933 -3.7570 0.0000 N 0 0 2.5951 -3.0039 0.0000 C 0 0 1.5548 -3.6021 0.0000 O 0 0 2.5973 -1.5031 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.3383 1.3500 0.0000 F 0 0 1 2 1 0 2 3 1 0 2 4 1 0 2 5 1 1 5 9 1 0 5 6 2 0 6 7 1 0 7 8 2 0 7 10 1 0 8 9 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 17 20 1 0 18 19 1 0 M END > ZINC03833997 > 2 $$$$ SciTegic07110717442D 20 21 0 0 0 0 999 V2000 4.8953 -10.1313 0.0000 C 0 0 5.5097 -8.7620 0.0000 C 0 0 2 0 0 0 7.0027 -8.6098 0.0000 C 0 0 6.4068 -10.0013 0.0000 C 0 0 4.6332 -7.5468 0.0000 C 0 0 5.1017 -6.1218 0.0000 C 0 0 3.8912 -5.2578 0.0000 C 0 0 2.6747 -6.1134 0.0000 O 0 0 3.1332 -7.5416 0.0000 N 0 0 3.8933 -3.7570 0.0000 N 0 0 2.5951 -3.0039 0.0000 C 0 0 1.5548 -3.6021 0.0000 O 0 0 2.5973 -1.5031 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.3383 1.3500 0.0000 F 0 0 1 2 1 0 2 3 1 0 2 4 1 0 2 5 1 1 5 9 2 0 5 6 1 0 6 7 2 0 7 8 1 0 7 10 1 0 8 9 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 17 20 1 0 18 19 1 0 M END > ZINC03834016 > 2 $$$$ SciTegic07110717442D 21 22 0 0 0 0 999 V2000 4.8953 -10.1313 0.0000 C 0 0 5.5097 -8.7620 0.0000 C 0 0 1 0 0 0 7.0027 -8.6098 0.0000 C 0 0 6.4068 -10.0013 0.0000 C 0 0 4.6332 -7.5468 0.0000 C 0 0 5.1017 -6.1218 0.0000 C 0 0 3.8912 -5.2578 0.0000 C 0 0 2.6747 -6.1134 0.0000 O 0 0 3.1332 -7.5416 0.0000 N 0 0 3.8933 -3.7570 0.0000 N 0 0 2.5951 -3.0039 0.0000 C 0 0 1.5548 -3.6021 0.0000 O 0 0 2.5973 -1.5031 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 2.7000 0.0000 Cl 0 0 -2.3383 1.3500 0.0000 Cl 0 0 1 2 1 0 2 3 1 0 2 4 1 0 2 5 1 6 5 9 2 0 5 6 1 0 6 7 2 0 7 8 1 0 7 10 1 0 8 9 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 17 21 1 0 18 19 1 0 18 20 1 0 M END > ZINC03833999 > 2 $$$$ SciTegic07110717442D 21 22 0 0 0 0 999 V2000 4.8953 -10.1313 0.0000 C 0 0 5.5097 -8.7620 0.0000 C 0 0 2 0 0 0 7.0027 -8.6098 0.0000 C 0 0 6.4068 -10.0013 0.0000 C 0 0 4.6332 -7.5468 0.0000 C 0 0 5.1017 -6.1218 0.0000 C 0 0 3.8912 -5.2578 0.0000 C 0 0 2.6747 -6.1134 0.0000 N 0 0 3.1332 -7.5416 0.0000 N 0 0 3.8933 -3.7570 0.0000 N 0 0 2.5951 -3.0039 0.0000 C 0 0 1.5548 -3.6021 0.0000 O 0 0 2.5973 -1.5031 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.3383 1.3500 0.0000 Cl 0 0 0.0000 2.7000 0.0000 Cl 0 0 1 2 1 0 2 3 1 0 2 4 1 0 2 5 1 1 5 9 2 0 5 6 1 0 6 7 2 0 7 8 1 0 7 10 1 0 8 9 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 21 1 0 19 20 1 0 M END > ZINC04617906 > 2 $$$$ SciTegic07110717442D 21 22 0 0 0 0 999 V2000 6.5246 -5.6529 0.0000 C 0 0 5.1017 -6.1219 0.0000 C 0 0 4.6332 -7.5468 0.0000 C 0 0 3.1332 -7.5416 0.0000 N 0 0 2.6747 -6.1134 0.0000 O 0 0 3.8912 -5.2578 0.0000 C 0 0 3.8933 -3.7570 0.0000 N 0 0 2.5951 -3.0039 0.0000 C 0 0 1.5548 -3.6021 0.0000 O 0 0 2.5973 -1.5031 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.3383 1.3500 0.0000 Cl 0 0 0.0000 2.7000 0.0000 Cl 0 0 5.5097 -8.7620 0.0000 C 0 0 1 0 0 0 7.0029 -8.6112 0.0000 C 0 0 4.8940 -10.1307 0.0000 C 0 0 1 2 1 0 2 6 2 0 2 3 1 0 3 4 2 0 3 19 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 16 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 15 18 1 0 16 17 1 0 19 20 1 1 19 21 1 0 M END > ZINC03834018 > 2 $$$$ SciTegic07110717442D 21 22 0 0 0 0 999 V2000 2.5988 -1.5004 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5988 1.5004 0.0000 C 0 0 0.0031 3.0008 0.0000 N 0 0 1.3039 3.7494 0.0000 C 0 0 2.3421 3.1476 0.0000 O 0 0 1.3070 5.2502 0.0000 N 0 0 2.6078 5.9988 0.0000 C 0 0 2.7508 7.4791 0.0000 C 0 0 4.2191 7.7859 0.0000 C 0 0 4.9646 6.4843 0.0000 N 0 0 3.9570 5.3731 0.0000 O 0 0 4.8332 9.1525 0.0000 C 0 0 1 0 0 0 3.9561 10.3703 0.0000 C 0 0 6.3263 9.3037 0.0000 C 0 0 3.3108 9.0012 0.0000 C 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 6 9 1 0 7 8 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 17 1 0 13 14 2 0 14 15 1 0 15 16 2 0 18 15 1 1 16 17 1 0 18 19 1 0 18 20 1 0 18 21 1 0 M END > ZINC03834013 > 2 $$$$ SciTegic07110717442D 21 22 0 0 0 0 999 V2000 2.5988 -1.5004 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5988 1.5004 0.0000 C 0 0 0.0031 3.0008 0.0000 N 0 0 1.3039 3.7494 0.0000 C 0 0 2.3421 3.1476 0.0000 O 0 0 1.3070 5.2502 0.0000 N 0 0 2.6078 5.9988 0.0000 C 0 0 2.7508 7.4791 0.0000 C 0 0 4.2191 7.7859 0.0000 C 0 0 4.9646 6.4843 0.0000 O 0 0 3.9570 5.3731 0.0000 N 0 0 4.8332 9.1525 0.0000 C 0 0 1 0 0 0 3.9561 10.3703 0.0000 C 0 0 6.3263 9.3037 0.0000 C 0 0 3.3108 9.0012 0.0000 C 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 6 9 1 0 7 8 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 17 2 0 13 14 1 0 14 15 2 0 15 16 1 0 18 15 1 1 16 17 1 0 18 19 1 0 18 20 1 0 18 21 1 0 M END > ZINC03834012 > 2 $$$$ SciTegic07110717442D 21 22 0 0 0 0 999 V2000 4.8953 -10.1313 0.0000 C 0 0 5.5097 -8.7620 0.0000 C 0 0 2 0 0 0 7.0027 -8.6098 0.0000 C 0 0 6.4068 -10.0013 0.0000 C 0 0 4.6332 -7.5468 0.0000 C 0 0 5.1017 -6.1218 0.0000 C 0 0 3.8912 -5.2578 0.0000 C 0 0 2.6747 -6.1134 0.0000 O 0 0 3.1332 -7.5416 0.0000 N 0 0 3.8933 -3.7570 0.0000 N 0 0 2.5951 -3.0039 0.0000 C 0 0 1.5548 -3.6021 0.0000 O 0 0 2.5973 -1.5031 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.3383 1.3500 0.0000 Cl 0 0 0.0000 2.7000 0.0000 Cl 0 0 1 2 1 0 2 3 1 0 2 4 1 0 2 5 1 1 5 9 2 0 5 6 1 0 6 7 2 0 7 8 1 0 7 10 1 0 8 9 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 21 1 0 19 20 1 0 M END > ZINC03833974 > 2 $$$$ SciTegic07110717442D 22 23 0 0 0 0 999 V2000 4.8953 -10.1313 0.0000 C 0 0 5.5097 -8.7620 0.0000 C 0 0 2 0 0 0 7.0027 -8.6098 0.0000 C 0 0 6.4068 -10.0013 0.0000 C 0 0 4.6332 -7.5468 0.0000 C 0 0 5.1017 -6.1218 0.0000 C 0 0 3.8912 -5.2578 0.0000 C 0 0 2.6747 -6.1134 0.0000 N 0 0 3.1332 -7.5416 0.0000 N 0 0 1.2551 -5.6346 0.0000 C 0 0 3.8933 -3.7570 0.0000 N 0 0 2.5951 -3.0039 0.0000 C 0 0 1.5548 -3.6021 0.0000 O 0 0 2.5973 -1.5031 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.3383 1.3500 0.0000 Cl 0 0 0.0000 2.7000 0.0000 Cl 0 0 1 2 1 0 2 3 1 0 2 4 1 0 2 5 1 1 5 9 2 0 5 6 1 0 6 7 2 0 7 8 1 0 7 11 1 0 8 9 1 0 8 10 1 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 19 22 1 0 20 21 1 0 M END > ZINC03833980 > 2 $$$$ SciTegic07110717442D 22 23 0 0 0 0 999 V2000 5.7733 -11.3485 0.0000 C 0 0 4.8953 -10.1313 0.0000 C 0 0 2 0 0 0 3.4023 -10.2835 0.0000 C 0 0 4.2667 -11.5261 0.0000 C 0 0 5.5097 -8.7620 0.0000 C 0 0 4.6332 -7.5468 0.0000 C 0 0 5.1017 -6.1218 0.0000 C 0 0 3.8912 -5.2578 0.0000 C 0 0 2.6747 -6.1134 0.0000 O 0 0 3.1332 -7.5416 0.0000 N 0 0 3.8933 -3.7570 0.0000 N 0 0 2.5951 -3.0039 0.0000 C 0 0 1.5548 -3.6021 0.0000 O 0 0 2.5973 -1.5031 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.3383 1.3500 0.0000 Cl 0 0 0.0000 2.7000 0.0000 Cl 0 0 2 1 1 1 2 3 1 0 2 4 1 0 2 5 1 0 5 6 1 0 6 10 2 0 6 7 1 0 7 8 2 0 8 9 1 0 8 11 1 0 9 10 1 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 19 22 1 0 20 21 1 0 M END > ZINC03833990 > 2 $$$$ SciTegic07110717442D 23 24 0 0 0 0 999 V2000 4.8953 -10.1313 0.0000 C 0 0 5.5097 -8.7620 0.0000 C 0 0 2 0 0 0 7.0027 -8.6098 0.0000 C 0 0 6.4068 -10.0013 0.0000 C 0 0 4.6332 -7.5468 0.0000 C 0 0 5.1017 -6.1218 0.0000 C 0 0 3.8912 -5.2578 0.0000 C 0 0 2.6747 -6.1134 0.0000 O 0 0 3.1332 -7.5416 0.0000 N 0 0 3.8933 -3.7570 0.0000 N 0 0 2.5951 -3.0039 0.0000 C 0 0 1.5548 -3.6021 0.0000 O 0 0 2.5973 -1.5031 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5988 1.5004 0.0000 C 0 0 1 0 0 0 -3.6384 0.9011 0.0000 F 0 0 -2.5984 2.7004 0.0000 F 0 0 -3.6377 2.1009 0.0000 F 0 0 1 2 1 0 2 3 1 0 2 4 1 0 2 5 1 1 5 9 2 0 5 6 1 0 6 7 2 0 7 8 1 0 7 10 1 0 8 9 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 17 20 1 0 18 19 1 0 20 21 1 1 20 22 1 0 20 23 1 0 M END > ZINC03833998 > 2 $$$$ SciTegic07110717442D 24 25 0 0 0 0 999 V2000 4.8953 -10.1313 0.0000 C 0 0 5.5097 -8.7620 0.0000 C 0 0 2 0 0 0 7.0027 -8.6098 0.0000 C 0 0 6.4068 -10.0013 0.0000 C 0 0 4.6332 -7.5468 0.0000 C 0 0 5.1017 -6.1218 0.0000 C 0 0 3.8912 -5.2578 0.0000 C 0 0 2.6747 -6.1134 0.0000 N 0 0 3.1332 -7.5416 0.0000 N 0 0 1.2551 -5.6346 0.0000 C 0 0 3.8933 -3.7570 0.0000 N 0 0 2.5951 -3.0039 0.0000 C 0 0 1.5548 -3.6021 0.0000 O 0 0 2.5973 -1.5031 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5988 1.5004 0.0000 C 0 0 1 0 0 0 -3.6384 0.9011 0.0000 F 0 0 -2.5984 2.7004 0.0000 F 0 0 -3.6377 2.1009 0.0000 F 0 0 1 2 1 0 2 3 1 0 2 4 1 0 2 5 1 1 5 9 2 0 5 6 1 0 6 7 2 0 7 8 1 0 7 11 1 0 8 9 1 0 8 10 1 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 18 21 1 0 19 20 1 0 21 22 1 1 21 23 1 0 21 24 1 0 M END > ZINC03834010 > 2 $$$$ SciTegic07110717442D 25 26 0 0 0 0 999 V2000 7.0029 -8.6112 0.0000 C 0 0 5.5097 -8.7620 0.0000 C 0 0 2 0 0 0 4.8941 -10.1306 0.0000 C 0 0 6.4025 -10.0044 0.0000 C 0 0 4.6332 -7.5468 0.0000 C 0 0 5.1017 -6.1218 0.0000 C 0 0 3.8912 -5.2578 0.0000 C 0 0 2.6747 -6.1134 0.0000 N 0 0 3.1332 -7.5416 0.0000 N 0 0 1.2551 -5.6346 0.0000 C 0 0 0.9585 -4.1634 0.0000 C 0 0 -0.4635 -3.6836 0.0000 C 0 0 -1.6006 -3.3001 0.0000 N 0 0 3.8933 -3.7570 0.0000 N 0 0 5.1937 -3.0076 0.0000 C 0 0 6.0591 -3.5086 0.0000 O 0 0 5.1958 -1.5068 0.0000 N 0 0 6.4962 -0.7574 0.0000 C 0 0 7.7931 -1.5111 0.0000 C 0 0 9.0942 -0.7648 0.0000 C 0 0 9.0985 0.7352 0.0000 C 0 0 7.8016 1.4889 0.0000 C 0 0 6.5004 0.7426 0.0000 C 0 0 5.4629 1.3456 0.0000 Cl 0 0 7.8050 2.6889 0.0000 Cl 0 0 1 2 1 0 2 3 1 0 2 4 1 0 2 5 1 6 5 9 2 0 5 6 1 0 6 7 2 0 7 8 1 0 7 14 1 0 8 9 1 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 3 0 14 15 1 0 15 16 2 0 15 17 1 0 17 18 1 0 18 23 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 22 25 1 0 23 24 1 0 M END > ZINC03833996 > 2 $$$$ SciTegic07110717442D 25 26 0 0 0 0 999 V2000 7.0029 -8.6112 0.0000 C 0 0 5.5097 -8.7620 0.0000 C 0 0 2 0 0 0 4.8941 -10.1306 0.0000 C 0 0 6.4025 -10.0044 0.0000 C 0 0 4.6332 -7.5468 0.0000 C 0 0 5.1017 -6.1218 0.0000 C 0 0 3.8912 -5.2578 0.0000 C 0 0 2.6747 -6.1134 0.0000 N 0 0 3.1332 -7.5416 0.0000 N 0 0 1.2551 -5.6346 0.0000 C 0 0 0.9585 -4.1634 0.0000 C 0 0 1.7089 -3.5024 0.0000 O 0 0 -0.4635 -3.6836 0.0000 N 0 0 3.8933 -3.7570 0.0000 N 0 0 5.1937 -3.0076 0.0000 C 0 0 6.0591 -3.5086 0.0000 O 0 0 5.1958 -1.5068 0.0000 N 0 0 6.4962 -0.7574 0.0000 C 0 0 7.7931 -1.5111 0.0000 C 0 0 9.0942 -0.7648 0.0000 C 0 0 9.0985 0.7352 0.0000 C 0 0 7.8016 1.4889 0.0000 C 0 0 6.5004 0.7426 0.0000 C 0 0 5.4629 1.3456 0.0000 Cl 0 0 7.8050 2.6889 0.0000 Cl 0 0 1 2 1 0 2 3 1 0 2 4 1 0 2 5 1 6 5 9 2 0 5 6 1 0 6 7 2 0 7 8 1 0 7 14 1 0 8 9 1 0 8 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 14 15 1 0 15 16 2 0 15 17 1 0 17 18 1 0 18 23 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 22 25 1 0 23 24 1 0 M END > ZINC03834011 > 2 $$$$ SciTegic07110717442D 26 27 0 0 0 0 999 V2000 7.0029 -8.6112 0.0000 C 0 0 5.5097 -8.7620 0.0000 C 0 0 2 0 0 0 4.8941 -10.1306 0.0000 C 0 0 6.4025 -10.0044 0.0000 C 0 0 4.6332 -7.5468 0.0000 C 0 0 5.1017 -6.1218 0.0000 C 0 0 3.8912 -5.2578 0.0000 C 0 0 2.6747 -6.1134 0.0000 N 0 0 3.1332 -7.5416 0.0000 N 0 0 1.2551 -5.6346 0.0000 C 0 0 0.9585 -4.1634 0.0000 C 0 0 1.7089 -3.5024 0.0000 O 0 0 -0.4635 -3.6836 0.0000 N 0 0 -0.7601 -2.2124 0.0000 C 0 0 3.8933 -3.7570 0.0000 N 0 0 5.1937 -3.0076 0.0000 C 0 0 6.0591 -3.5086 0.0000 O 0 0 5.1958 -1.5068 0.0000 N 0 0 6.4962 -0.7574 0.0000 C 0 0 7.7931 -1.5111 0.0000 C 0 0 9.0942 -0.7648 0.0000 C 0 0 9.0985 0.7352 0.0000 C 0 0 7.8016 1.4889 0.0000 C 0 0 6.5004 0.7426 0.0000 C 0 0 5.4629 1.3456 0.0000 Cl 0 0 7.8050 2.6889 0.0000 Cl 0 0 1 2 1 0 2 3 1 0 2 4 1 0 2 5 1 6 5 9 2 0 5 6 1 0 6 7 2 0 7 8 1 0 7 15 1 0 8 9 1 0 8 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 24 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 23 26 1 0 24 25 1 0 M END > ZINC03834000 > 2 $$$$ SciTegic07110717442D 27 28 0 0 0 0 999 V2000 5.1873 -7.5117 0.0000 C 0 0 5.1894 -6.0109 0.0000 C 0 0 3.8912 -5.2578 0.0000 C 0 0 3.8933 -3.7570 0.0000 C 0 0 2.5951 -3.0039 0.0000 O 0 0 2.5973 -1.5031 0.0000 C 0 0 3.6375 -0.9049 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0031 3.0008 0.0000 N 0 0 1.3039 3.7494 0.0000 C 0 0 2.3421 3.1476 0.0000 O 0 0 1.3070 5.2502 0.0000 N 0 0 2.6078 5.9988 0.0000 C 0 0 3.9570 5.3731 0.0000 C 0 0 4.9646 6.4843 0.0000 C 0 0 4.2191 7.7859 0.0000 N 0 0 2.7508 7.4791 0.0000 N 0 0 1.6332 8.4769 0.0000 C 0 0 6.4541 6.3225 0.0000 C 0 0 1 0 0 0 7.0606 4.9497 0.0000 C 0 0 7.3400 7.5338 0.0000 C 0 0 5.5532 5.0859 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 8 13 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 12 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 17 18 1 0 18 22 1 0 18 19 2 0 19 20 1 0 20 21 2 0 24 20 1 6 21 22 1 0 22 23 1 0 24 25 1 0 24 26 1 0 24 27 1 0 M END > ZINC03834002 > 2 $$$$ SciTegic07110717442D 28 29 0 0 0 0 999 V2000 7.0029 -8.6112 0.0000 C 0 0 5.5097 -8.7620 0.0000 C 0 0 2 0 0 0 4.8941 -10.1306 0.0000 C 0 0 6.4025 -10.0044 0.0000 C 0 0 4.6332 -7.5468 0.0000 C 0 0 5.1017 -6.1218 0.0000 C 0 0 3.8912 -5.2578 0.0000 C 0 0 2.6747 -6.1134 0.0000 N 0 0 3.1332 -7.5416 0.0000 N 0 0 1.2551 -5.6346 0.0000 C 0 0 0.9585 -4.1634 0.0000 C 0 0 1.7089 -3.5024 0.0000 O 0 0 -0.4635 -3.6836 0.0000 N 0 0 -0.7601 -2.2124 0.0000 C 0 0 -2.1822 -1.7327 0.0000 C 0 0 -2.4787 -0.2614 0.0000 O 0 0 3.8933 -3.7570 0.0000 N 0 0 5.1937 -3.0076 0.0000 C 0 0 6.0591 -3.5086 0.0000 O 0 0 5.1958 -1.5068 0.0000 N 0 0 6.4962 -0.7574 0.0000 C 0 0 7.7931 -1.5111 0.0000 C 0 0 9.0942 -0.7648 0.0000 C 0 0 9.0985 0.7352 0.0000 C 0 0 7.8016 1.4889 0.0000 C 0 0 6.5004 0.7426 0.0000 C 0 0 5.4629 1.3456 0.0000 Cl 0 0 7.8050 2.6889 0.0000 Cl 0 0 1 2 1 0 2 3 1 0 2 4 1 0 2 5 1 6 5 9 2 0 5 6 1 0 6 7 2 0 7 8 1 0 7 17 1 0 8 9 1 0 8 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 26 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 25 28 1 0 26 27 1 0 M END > ZINC03833993 > 2 $$$$ SciTegic07110717442D 21 24 0 0 0 0 999 V2000 4.7992 0.2058 0.0000 C 0 0 6.1942 0.7573 0.0000 C 0 0 6.4140 2.2411 0.0000 C 0 0 5.2389 3.1734 0.0000 C 0 0 3.8440 2.6219 0.0000 C 0 0 3.6284 1.1358 0.0000 C 0 0 2.1291 1.2020 0.0000 C 0 0 1.2109 0.0348 0.0000 C 0 0 -0.2026 0.5708 0.0000 N 0 0 -0.1557 2.0550 0.0000 C 0 0 1.3029 2.4679 0.0000 N 0 0 -1.5433 2.6030 0.0000 C 0 0 -2.4753 1.3980 0.0000 C 0 0 -1.6353 0.1700 0.0000 C 0 0 1.6126 -1.4112 0.0000 C 0 0 3.0924 -1.6670 0.0000 C 0 0 3.6055 -3.0765 0.0000 C 0 0 2.6414 -4.2256 0.0000 N 0 0 1.1642 -3.9652 0.0000 C 0 0 0.6511 -2.5557 0.0000 C 0 0 7.5299 2.6823 0.0000 F 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 21 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 11 1 0 7 8 2 0 8 9 1 0 8 15 1 0 9 14 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 M END > ZINC03815711 > 3 $$$$ SciTegic07110717442D 21 24 0 0 0 0 999 V2000 4.7992 0.2058 0.0000 C 0 0 6.1942 0.7573 0.0000 C 0 0 6.4140 2.2411 0.0000 C 0 0 5.2389 3.1734 0.0000 C 0 0 3.8440 2.6219 0.0000 C 0 0 3.6284 1.1358 0.0000 C 0 0 2.1291 1.2020 0.0000 C 0 0 1.2109 0.0348 0.0000 C 0 0 -0.2026 0.5708 0.0000 N 0 0 -0.1557 2.0550 0.0000 C 0 0 1.3029 2.4679 0.0000 N 0 0 -1.5433 2.6030 0.0000 C 0 0 -2.4753 1.3980 0.0000 C 0 0 -1.6353 0.1700 0.0000 C 0 0 1.6126 -1.4112 0.0000 C 0 0 3.0924 -1.6670 0.0000 C 0 0 3.6055 -3.0765 0.0000 C 0 0 2.6414 -4.2256 0.0000 N 0 0 1.1642 -3.9652 0.0000 C 0 0 0.6511 -2.5557 0.0000 C 0 0 7.5299 2.6823 0.0000 Cl 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 21 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 11 1 0 7 8 2 0 8 9 1 0 8 15 1 0 9 14 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 M END > ZINC03815707 > 3 $$$$ SciTegic07110717442D 21 24 0 0 0 0 999 V2000 6.1942 0.7573 0.0000 C 0 0 4.7992 0.2058 0.0000 C 0 0 3.6284 1.1358 0.0000 C 0 0 3.8440 2.6219 0.0000 C 0 0 5.2389 3.1734 0.0000 C 0 0 6.4140 2.2411 0.0000 C 0 0 5.4148 4.3604 0.0000 Cl 0 0 2.1291 1.2020 0.0000 C 0 0 1.2109 0.0348 0.0000 C 0 0 -0.2026 0.5708 0.0000 N 0 0 -0.1557 2.0550 0.0000 C 0 0 1.3029 2.4679 0.0000 N 0 0 -1.5433 2.6030 0.0000 C 0 0 -2.4753 1.3980 0.0000 C 0 0 -1.6353 0.1700 0.0000 C 0 0 1.6126 -1.4112 0.0000 C 0 0 3.0924 -1.6670 0.0000 C 0 0 3.6055 -3.0765 0.0000 C 0 0 2.6414 -4.2256 0.0000 N 0 0 1.1642 -3.9652 0.0000 C 0 0 0.6511 -2.5557 0.0000 C 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 12 1 0 8 9 2 0 9 10 1 0 9 16 1 0 10 15 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 15 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 M END > ZINC03815699 > 3 $$$$ SciTegic07110717442D 21 24 0 0 0 0 999 V2000 5.2389 3.1734 0.0000 C 0 0 6.4140 2.2411 0.0000 C 0 0 6.1942 0.7573 0.0000 C 0 0 4.7992 0.2058 0.0000 C 0 0 3.6284 1.1358 0.0000 C 0 0 3.8440 2.6219 0.0000 C 0 0 2.1291 1.2020 0.0000 C 0 0 1.2109 0.0348 0.0000 C 0 0 -0.2026 0.5708 0.0000 N 0 0 -0.1557 2.0550 0.0000 C 0 0 1.3029 2.4679 0.0000 N 0 0 -1.5433 2.6030 0.0000 C 0 0 -2.4753 1.3980 0.0000 C 0 0 -1.6353 0.1700 0.0000 C 0 0 1.6126 -1.4112 0.0000 C 0 0 0.4767 -2.3936 0.0000 C 0 0 0.7641 -3.8658 0.0000 C 0 0 2.1827 -4.3530 0.0000 N 0 0 3.3140 -3.3681 0.0000 C 0 0 3.0267 -1.8958 0.0000 C 0 0 4.6524 -0.7834 0.0000 Cl 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 21 1 0 5 6 1 0 5 7 1 0 7 11 1 0 7 8 2 0 8 9 1 0 8 15 1 0 9 14 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 M END > ZINC03815748 > 3 $$$$ SciTegic07110717442D 21 23 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 2.7000 0.0000 Cl 0 0 -2.3383 1.3500 0.0000 Cl 0 0 -2.6003 -1.4978 0.0000 N 0 0 -3.8990 -0.7455 0.0000 C 0 0 -3.8969 0.4545 0.0000 O 0 0 -5.2003 -1.4932 0.0000 N 0 0 -6.4990 -0.7410 0.0000 C 0 0 -7.8525 -1.3573 0.0000 C 0 0 -8.8523 -0.2391 0.0000 C 0 0 -8.0978 1.0573 0.0000 N 0 0 -6.6317 0.7404 0.0000 O 0 0 -10.3429 -0.3905 0.0000 C 0 0 2 0 0 0 -9.7734 -1.7082 0.0000 C 0 0 -11.1762 -2.2394 0.0000 C 0 0 -11.7074 -0.8366 0.0000 C 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 9 1 0 4 5 2 0 4 8 1 0 5 6 1 0 5 7 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 17 1 0 13 14 2 0 14 15 1 0 15 16 2 0 18 15 1 6 16 17 1 0 18 21 1 0 18 19 1 0 19 20 1 0 20 21 1 0 M END > ZINC03834007 > 4 $$$$ SciTegic07110717442D 21 24 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.7770 1.0106 0.0000 C 0 0 3.8362 -0.0335 0.0000 C 0 0 5.1595 0.6728 0.0000 N 0 0 4.8966 2.1496 0.0000 C 0 0 3.4109 2.3560 0.0000 N 0 0 6.5072 0.0183 0.0000 C 0 0 2 0 0 0 7.0536 1.2924 0.0000 C 0 0 7.8932 0.0494 0.0000 C 0 0 3.6208 -1.5187 0.0000 C 0 0 4.8731 -2.3477 0.0000 C 0 0 4.7765 -3.8446 0.0000 C 0 0 3.4318 -4.5093 0.0000 N 0 0 2.1838 -3.6772 0.0000 C 0 0 2.2804 -2.1803 0.0000 C 0 0 -2.3383 -1.3500 0.0000 F 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 21 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 11 1 0 7 8 2 0 8 9 1 0 8 15 1 0 9 10 1 0 12 9 1 6 10 11 2 0 12 14 1 0 12 13 1 0 13 14 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 M END > ZINC03815718 > 5 $$$$ SciTegic07110717442D 22 25 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.7770 1.0106 0.0000 C 0 0 3.4109 2.3560 0.0000 C 0 0 4.8966 2.1496 0.0000 N 0 0 5.1595 0.6728 0.0000 C 0 0 3.8362 -0.0335 0.0000 N 0 0 6.5087 0.0205 0.0000 C 0 0 2 0 0 0 5.8458 -1.1970 0.0000 C 0 0 7.3418 -1.0875 0.0000 C 0 0 7.7503 0.8636 0.0000 O 0 0 2.6964 3.6758 0.0000 C 0 0 3.5858 4.8859 0.0000 C 0 0 2.9786 6.2575 0.0000 C 0 0 1.4872 6.4175 0.0000 N 0 0 0.6029 5.2059 0.0000 C 0 0 1.2100 3.8343 0.0000 C 0 0 -2.3383 -1.3500 0.0000 F 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 22 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 11 1 0 7 8 2 0 8 9 1 0 8 16 1 0 9 10 2 0 10 12 1 0 10 11 1 0 12 14 1 0 12 13 1 0 12 15 1 6 13 14 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 M END > ZINC03815694 > 6 $$$$ SciTegic07110717442D 22 25 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5987 1.5004 0.0000 C 0 0 -3.9492 0.8772 0.0000 C 0 0 -4.9546 1.9903 0.0000 C 0 0 -4.2067 3.2905 0.0000 C 0 0 -2.7390 2.9810 0.0000 N 0 0 -4.8193 4.6606 0.0000 C 0 0 -3.9602 5.8758 0.0000 C 0 0 -4.8755 7.0641 0.0000 C 0 0 -6.2886 6.5608 0.0000 O 0 0 -6.2465 5.0614 0.0000 C 0 0 -6.4469 1.8311 0.0000 C 0 0 -6.9460 0.4147 0.0000 C 0 0 -8.4213 0.1438 0.0000 C 0 0 -9.3937 1.2860 0.0000 N 0 0 -8.8906 2.6991 0.0000 C 0 0 -7.4153 2.9701 0.0000 C 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 11 1 0 7 8 2 0 8 9 1 0 9 10 2 0 9 17 1 0 10 11 1 0 10 12 1 0 12 16 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 M END > ZINC03832170 > 7 $$$$ SciTegic07110717442D 24 27 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.7770 1.0106 0.0000 C 0 0 3.4109 2.3560 0.0000 C 0 0 4.8966 2.1496 0.0000 N 0 0 5.1595 0.6728 0.0000 C 0 0 3.8362 -0.0335 0.0000 N 0 0 6.5087 0.0205 0.0000 C 0 0 2 0 0 0 5.3581 -0.8840 0.0000 C 0 0 5.9246 -2.2729 0.0000 C 0 0 7.4206 -2.1634 0.0000 C 0 0 7.7787 -0.7068 0.0000 C 0 0 7.7503 0.8636 0.0000 O 0 0 2.6964 3.6758 0.0000 C 0 0 3.5858 4.8859 0.0000 C 0 0 2.9786 6.2575 0.0000 C 0 0 1.4872 6.4175 0.0000 N 0 0 0.6029 5.2059 0.0000 C 0 0 1.2100 3.8343 0.0000 C 0 0 -2.3383 -1.3500 0.0000 F 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 24 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 11 1 0 7 8 2 0 8 9 1 0 8 18 1 0 9 10 2 0 10 12 1 0 10 11 1 0 12 16 1 0 12 13 1 0 12 17 1 6 13 14 1 0 14 15 1 0 15 16 1 0 18 23 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 M END > ZINC03815719 > 7 $$$$ SciTegic07110717442D 22 25 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.7770 1.0106 0.0000 C 0 0 3.8362 -0.0335 0.0000 C 0 0 5.1595 0.6728 0.0000 N 0 0 4.8966 2.1496 0.0000 C 0 0 3.4109 2.3560 0.0000 N 0 0 6.5071 0.0182 0.0000 C 0 0 7.7505 0.8586 0.0000 C 0 0 1 0 0 0 6.9198 1.9684 0.0000 C 0 0 8.4160 2.0747 0.0000 C 0 0 3.6208 -1.5187 0.0000 C 0 0 4.8731 -2.3477 0.0000 C 0 0 4.7765 -3.8446 0.0000 C 0 0 3.4318 -4.5093 0.0000 N 0 0 2.1838 -3.6772 0.0000 C 0 0 2.2804 -2.1803 0.0000 C 0 0 -2.3383 -1.3500 0.0000 F 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 22 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 11 1 0 7 8 2 0 8 9 1 0 8 16 1 0 9 10 1 0 9 12 1 0 10 11 2 0 13 12 1 1 13 15 1 0 13 14 1 0 14 15 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 M END > ZINC03815723 > 8 $$$$ SciTegic07110717442D 23 26 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5987 1.5004 0.0000 C 0 0 2.7389 2.9810 0.0000 C 0 0 4.2067 3.2906 0.0000 N 0 0 4.9546 1.9904 0.0000 C 0 0 3.9492 0.8772 0.0000 N 0 0 4.8182 4.6583 0.0000 C 0 0 6.3110 4.8138 0.0000 C 0 0 2 0 0 0 6.3879 3.4297 0.0000 C 0 0 7.6024 4.3100 0.0000 C 0 0 1.6193 3.9804 0.0000 C 0 0 1.8075 5.4632 0.0000 C 0 0 0.6126 6.3701 0.0000 C 0 0 -0.7701 5.7887 0.0000 N 0 0 -0.9580 4.3005 0.0000 C 0 0 0.2368 3.3937 0.0000 N 0 0 -2.3404 3.7160 0.0000 N 0 0 -2.3383 -1.3500 0.0000 F 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 23 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 11 1 0 7 8 2 0 8 9 1 0 8 16 1 0 9 10 1 0 9 12 1 0 10 11 2 0 13 12 1 1 13 15 1 0 13 14 1 0 14 15 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 20 22 1 0 M END > ZINC03815695 > 8 $$$$ SciTegic07110717442D 23 26 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5987 1.5004 0.0000 C 0 0 -3.9492 0.8772 0.0000 C 0 0 -4.9546 1.9903 0.0000 C 0 0 -4.2067 3.2905 0.0000 C 0 0 -2.7390 2.9810 0.0000 N 0 0 -4.8193 4.6606 0.0000 C 0 0 -6.3205 4.6976 0.0000 C 0 0 -7.0341 6.0170 0.0000 C 0 0 -6.2483 7.2947 0.0000 C 0 0 -4.7489 7.2530 0.0000 N 0 0 -4.0353 5.9336 0.0000 C 0 0 -6.3024 1.3303 0.0000 C 0 0 -6.2870 -0.1714 0.0000 C 0 0 -7.5807 -0.9306 0.0000 C 0 0 -8.8851 -0.1898 0.0000 N 0 0 -8.8957 1.3102 0.0000 C 0 0 -7.6020 2.0694 0.0000 C 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 11 1 0 7 8 2 0 8 9 1 0 9 10 2 0 9 18 1 0 10 11 1 0 10 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 18 23 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 M END > ZINC03832128 > 9 $$$$ SciTegic07110717442D 24 27 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5987 1.5004 0.0000 C 0 0 -3.9492 0.8772 0.0000 N 0 0 -4.9546 1.9903 0.0000 C 0 0 -4.2067 3.2905 0.0000 C 0 0 -2.7390 2.9810 0.0000 N 0 0 -4.8193 4.6606 0.0000 C 0 0 -3.8459 5.8041 0.0000 C 0 0 -4.3534 7.2156 0.0000 C 0 0 -5.8296 7.4819 0.0000 C 0 0 -6.7982 6.3366 0.0000 C 0 0 -6.2907 4.9251 0.0000 C 0 0 -6.2356 8.6111 0.0000 F 0 0 -6.3024 1.3303 0.0000 C 0 0 -7.4792 2.2632 0.0000 C 0 0 -8.8722 1.7067 0.0000 C 0 0 -9.0868 0.2222 0.0000 N 0 0 -7.9084 -0.7060 0.0000 C 0 0 -6.5154 -0.1495 0.0000 C 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 8 2 0 7 11 1 0 8 9 1 0 9 10 2 0 9 19 1 0 10 11 1 0 10 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 15 18 1 0 16 17 1 0 19 24 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 M END > ZINC03815736 > 9 $$$$ SciTegic07110717442D 24 27 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.2637 1.8996 0.0000 C 0 0 -3.7458 1.7759 0.0000 C 0 0 -4.3099 3.1658 0.0000 C 0 0 -3.1624 4.1318 0.0000 C 0 0 -1.8891 3.3390 0.0000 N 0 0 -3.2695 5.6287 0.0000 C 0 0 -4.6676 6.1770 0.0000 C 0 0 -4.8868 7.6609 0.0000 C 0 0 -3.7114 8.5927 0.0000 C 0 0 -2.3167 8.0407 0.0000 C 0 0 -2.0974 6.5568 0.0000 C 0 0 -3.9278 10.0779 0.0000 N 0 0 -4.5315 0.4973 0.0000 C 0 0 -6.0242 0.6624 0.0000 C 0 0 -6.9085 -0.5492 0.0000 C 0 0 -6.3013 -1.9208 0.0000 N 0 0 -4.8099 -2.0808 0.0000 C 0 0 -3.9256 -0.8692 0.0000 C 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 11 1 0 7 8 2 0 8 9 1 0 8 19 1 0 9 10 2 0 10 11 1 0 10 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 15 18 1 0 16 17 1 0 19 24 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 M END > ZINC03832064 > 9 $$$$ SciTegic07110717442D 24 27 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.7770 1.0106 0.0000 C 0 0 3.4109 2.3560 0.0000 C 0 0 4.8966 2.1496 0.0000 N 0 0 5.1595 0.6728 0.0000 C 0 0 3.8362 -0.0335 0.0000 N 0 0 6.5072 0.0183 0.0000 C 0 0 1 0 0 0 7.8214 -0.6616 0.0000 C 0 0 9.0644 0.1780 0.0000 C 0 0 8.9588 1.6742 0.0000 C 0 0 6.3671 1.4913 0.0000 C 0 0 2.6964 3.6758 0.0000 C 0 0 3.5858 4.8859 0.0000 C 0 0 2.9786 6.2575 0.0000 C 0 0 1.4872 6.4175 0.0000 N 0 0 0.6029 5.2059 0.0000 C 0 0 1.2100 3.8343 0.0000 C 0 0 -2.3383 -1.3500 0.0000 F 0 0 7.6101 2.3309 0.0000 N 0 3 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 23 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 11 1 0 7 8 2 0 8 9 1 0 8 17 1 0 9 10 2 0 12 10 1 6 10 11 1 0 12 16 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 24 1 0 16 24 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 M CHG 1 24 1 M END > ZINC03815693 > 9 $$$$ SciTegic07110717442D 24 27 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5987 1.5004 0.0000 C 0 0 -3.9492 0.8772 0.0000 N 0 0 -4.9546 1.9903 0.0000 C 0 0 -4.2067 3.2905 0.0000 C 0 0 -2.7390 2.9810 0.0000 N 0 0 -4.8193 4.6606 0.0000 C 0 0 -3.8459 5.8041 0.0000 C 0 0 -4.3534 7.2156 0.0000 C 0 0 -5.8296 7.4819 0.0000 C 0 0 -6.7982 6.3366 0.0000 C 0 0 -6.2907 4.9251 0.0000 C 0 0 -8.2758 6.6000 0.0000 O 0 0 -6.3024 1.3303 0.0000 C 0 0 -7.4792 2.2632 0.0000 C 0 0 -8.8722 1.7067 0.0000 C 0 0 -9.0868 0.2222 0.0000 N 0 0 -7.9084 -0.7060 0.0000 C 0 0 -6.5154 -0.1495 0.0000 C 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 8 2 0 7 11 1 0 8 9 1 0 9 10 2 0 9 19 1 0 10 11 1 0 10 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 16 18 1 0 19 24 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 M END > ZINC03815735 > 9 $$$$ SciTegic07110717442D 24 27 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.7770 1.0106 0.0000 C 0 0 3.4109 2.3560 0.0000 C 0 0 4.8966 2.1496 0.0000 N 0 0 5.1595 0.6728 0.0000 C 0 0 3.8362 -0.0335 0.0000 N 0 0 6.5072 0.0183 0.0000 C 0 0 1 0 0 0 5.2628 -0.7824 0.0000 C 0 0 5.3714 -2.2785 0.0000 C 0 0 7.9627 -2.0904 0.0000 C 0 0 7.8541 -0.5943 0.0000 C 0 0 2.6964 3.6758 0.0000 C 0 0 3.5858 4.8859 0.0000 C 0 0 2.9786 6.2575 0.0000 C 0 0 1.4872 6.4175 0.0000 N 0 0 0.6029 5.2059 0.0000 C 0 0 1.2100 3.8343 0.0000 C 0 0 -2.3383 -1.3500 0.0000 F 0 0 6.7213 -2.9325 0.0000 N 0 3 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 23 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 11 1 0 7 8 2 0 8 9 1 0 8 17 1 0 9 10 2 0 12 10 1 6 10 11 1 0 12 16 1 0 12 13 1 0 13 14 1 0 14 24 1 0 15 16 1 0 15 24 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 M CHG 1 24 1 M END > ZINC03815689 > 9 $$$$ SciTegic07110717442D 24 27 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5987 1.5004 0.0000 C 0 0 -3.9492 0.8772 0.0000 N 0 0 -4.9546 1.9903 0.0000 C 0 0 -4.2067 3.2905 0.0000 C 0 0 -2.7390 2.9810 0.0000 N 0 0 -4.8193 4.6606 0.0000 C 0 0 -3.8459 5.8041 0.0000 C 0 0 -4.3534 7.2156 0.0000 C 0 0 -5.8296 7.4819 0.0000 C 0 0 -6.7982 6.3366 0.0000 C 0 0 -6.2907 4.9251 0.0000 C 0 0 -7.9792 6.5496 0.0000 F 0 0 -6.3024 1.3303 0.0000 C 0 0 -7.4792 2.2632 0.0000 C 0 0 -8.8722 1.7067 0.0000 C 0 0 -9.0868 0.2222 0.0000 N 0 0 -7.9084 -0.7060 0.0000 C 0 0 -6.5154 -0.1495 0.0000 C 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 8 2 0 7 11 1 0 8 9 1 0 9 10 2 0 9 19 1 0 10 11 1 0 10 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 16 18 1 0 19 24 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 M END > ZINC03815771 > 9 $$$$ SciTegic07110717442D 24 27 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5987 1.5004 0.0000 C 0 0 3.9511 0.8815 0.0000 C 0 0 4.9530 1.9978 0.0000 N 0 0 4.2010 3.2957 0.0000 C 0 0 2.7343 2.9815 0.0000 N 0 0 4.8081 4.6654 0.0000 C 0 0 2 0 0 0 5.3733 6.0329 0.0000 C 0 0 6.8647 6.1936 0.0000 C 0 0 7.7496 4.9824 0.0000 C 0 0 5.6517 3.4498 0.0000 C 0 0 4.7409 -0.3946 0.0000 C 0 0 6.2330 -0.2247 0.0000 C 0 0 7.1212 -1.4335 0.0000 C 0 0 6.5184 -2.8071 0.0000 N 0 0 5.0274 -2.9718 0.0000 C 0 0 4.1393 -1.7630 0.0000 C 0 0 -2.3383 -1.3500 0.0000 F 0 0 7.1431 3.6105 0.0000 N 0 3 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 23 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 11 1 0 7 8 2 0 8 9 1 0 8 17 1 0 9 10 1 0 10 11 2 0 12 10 1 6 12 16 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 24 1 0 16 24 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 M CHG 1 24 1 M END > ZINC04617902 > 9 $$$$ SciTegic07110717442D 24 27 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5987 1.5004 0.0000 C 0 0 -2.7390 2.9810 0.0000 N 0 0 -4.2067 3.2905 0.0000 C 0 0 -4.9546 1.9903 0.0000 C 0 0 -3.9492 0.8772 0.0000 N 0 0 -6.4469 1.8311 0.0000 C 0 0 -7.2337 3.1102 0.0000 C 0 0 -8.7329 3.0637 0.0000 C 0 0 -9.4423 1.7421 0.0000 C 0 0 -8.6524 0.4669 0.0000 C 0 0 -7.1532 0.5134 0.0000 C 0 0 -10.6418 1.7049 0.0000 F 0 0 -4.8193 4.6606 0.0000 C 0 0 -4.0353 5.9336 0.0000 C 0 0 -4.7489 7.2530 0.0000 C 0 0 -6.2483 7.2947 0.0000 N 0 0 -7.0341 6.0170 0.0000 C 0 0 -6.3205 4.6976 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 11 2 0 7 8 1 0 8 9 1 0 9 10 2 0 9 19 1 0 10 11 1 0 10 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 15 18 1 0 16 17 1 0 19 24 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 M END > ZINC04617926 > 9 $$$$ SciTegic07110717442D 25 28 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5987 1.5004 0.0000 C 0 0 2.7343 2.9815 0.0000 N 0 0 4.2010 3.2957 0.0000 C 0 0 4.9530 1.9978 0.0000 C 0 0 3.9511 0.8815 0.0000 N 0 0 6.4458 1.8433 0.0000 C 0 0 6.9494 0.4286 0.0000 C 0 0 8.4256 0.1623 0.0000 C 0 0 9.3943 1.3076 0.0000 C 0 0 8.8868 2.7191 0.0000 C 0 0 7.4106 2.9854 0.0000 C 0 0 10.5752 1.0946 0.0000 F 0 0 4.3033 4.7929 0.0000 C 0 0 5.6996 5.3456 0.0000 C 0 0 5.9142 6.8302 0.0000 C 0 0 4.7358 7.7583 0.0000 N 0 0 3.3428 7.2018 0.0000 C 0 0 3.1282 5.7173 0.0000 C 0 0 -2.6003 -1.4978 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 25 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 2 0 7 11 1 0 8 9 1 0 9 10 2 0 9 19 1 0 10 11 1 0 10 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 15 18 1 0 16 17 1 0 19 24 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 M END > ZINC03815704 > 9 $$$$ SciTegic07110717442D 25 28 0 0 0 0 999 V2000 2.5951 -3.0039 0.0000 C 0 0 2.5973 -1.5031 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.2637 1.8996 0.0000 C 0 0 -3.7458 1.7759 0.0000 C 0 0 -4.3099 3.1658 0.0000 N 0 0 -3.1624 4.1318 0.0000 C 0 0 -1.8891 3.3390 0.0000 N 0 0 -3.2695 5.6287 0.0000 C 0 0 -4.6676 6.1770 0.0000 C 0 0 -4.8868 7.6609 0.0000 C 0 0 -3.7114 8.5927 0.0000 C 0 0 -2.3167 8.0407 0.0000 C 0 0 -2.0974 6.5568 0.0000 C 0 0 -4.5315 0.4973 0.0000 C 0 0 -6.0242 0.6624 0.0000 C 0 0 -6.9085 -0.5492 0.0000 C 0 0 -6.3013 -1.9208 0.0000 N 0 0 -4.8099 -2.0808 0.0000 C 0 0 -3.9256 -0.8692 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 6 9 1 0 7 8 1 0 9 13 1 0 9 10 2 0 10 11 1 0 10 20 1 0 11 12 2 0 12 14 1 0 12 13 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 20 25 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 M END > ZINC03815752 > 9 $$$$ SciTegic07110717442D 25 28 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.7770 1.0106 0.0000 C 0 0 3.4109 2.3560 0.0000 C 0 0 4.8966 2.1496 0.0000 N 0 0 5.1595 0.6728 0.0000 C 0 0 3.8362 -0.0335 0.0000 N 0 0 6.5087 0.0205 0.0000 C 0 0 2 0 0 0 5.2648 -0.7808 0.0000 C 0 0 5.3744 -2.2768 0.0000 C 0 0 6.7247 -2.9299 0.0000 C 0 0 7.9655 -2.0871 0.0000 C 0 0 7.8560 -0.5911 0.0000 C 0 0 7.7503 0.8636 0.0000 O 0 0 2.6964 3.6758 0.0000 C 0 0 3.5858 4.8859 0.0000 C 0 0 2.9786 6.2575 0.0000 C 0 0 1.4872 6.4175 0.0000 N 0 0 0.6029 5.2059 0.0000 C 0 0 1.2100 3.8343 0.0000 C 0 0 -2.3383 -1.3500 0.0000 F 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 25 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 11 1 0 7 8 2 0 8 9 1 0 8 19 1 0 9 10 2 0 10 12 1 0 10 11 1 0 12 17 1 0 12 13 1 0 12 18 1 6 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 19 24 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 M END > ZINC03815731 > 9 $$$$ SciTegic07110717442D 25 28 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5987 1.5004 0.0000 C 0 0 3.9511 0.8815 0.0000 N 0 0 4.9530 1.9978 0.0000 C 0 0 4.2010 3.2957 0.0000 C 0 0 2.7343 2.9815 0.0000 N 0 0 4.8092 4.6676 0.0000 C 0 0 6.3103 4.7094 0.0000 C 0 0 7.0197 6.0311 0.0000 C 0 0 6.2298 7.3063 0.0000 C 0 0 4.7306 7.2598 0.0000 C 0 0 4.0212 5.9381 0.0000 C 0 0 6.7973 8.3636 0.0000 F 0 0 6.3029 1.3421 0.0000 C 0 0 6.2923 -0.1596 0.0000 C 0 0 7.5884 -0.9147 0.0000 C 0 0 8.8904 -0.1698 0.0000 N 0 0 8.8963 1.3302 0.0000 C 0 0 7.6002 2.0853 0.0000 C 0 0 -2.6003 -1.4978 0.0000 O 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 25 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 11 2 0 7 8 1 0 8 9 1 0 9 10 2 0 9 19 1 0 10 11 1 0 10 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 15 18 1 0 16 17 1 0 19 24 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 M END > ZINC00020320 > 9 $$$$ SciTegic07110717442D 25 28 0 0 0 0 999 V2000 2.5951 -3.0039 0.0000 C 0 0 2.5973 -1.5031 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.5133 2.9102 0.0000 C 0 0 -0.3349 4.1319 0.0000 C 0 0 0.5867 5.3154 0.0000 N 0 0 1.9970 4.8046 0.0000 C 0 0 1.9471 3.3055 0.0000 N 0 0 3.2399 5.6458 0.0000 C 0 0 3.0156 7.1307 0.0000 C 0 0 4.1911 8.0626 0.0000 C 0 0 5.5858 7.5105 0.0000 C 0 0 5.8051 6.0267 0.0000 C 0 0 4.6297 5.0948 0.0000 C 0 0 -1.8351 4.1730 0.0000 C 0 0 -2.4384 5.5483 0.0000 C 0 0 -3.9299 5.7083 0.0000 C 0 0 -4.8142 4.4967 0.0000 N 0 0 -4.2070 3.1251 0.0000 C 0 0 -2.7156 2.9651 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 13 1 0 9 10 2 0 10 11 1 0 10 20 1 0 11 12 2 0 12 14 1 0 12 13 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 20 25 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 M END > ZINC03815775 > 9 $$$$ SciTegic07110717442D 25 28 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5987 1.5004 0.0000 C 0 0 -2.7390 2.9810 0.0000 N 0 0 -4.2067 3.2905 0.0000 C 0 0 -4.9546 1.9903 0.0000 C 0 0 -3.9492 0.8772 0.0000 N 0 0 -6.4469 1.8311 0.0000 C 0 0 -7.2337 3.1102 0.0000 C 0 0 -8.7329 3.0637 0.0000 C 0 0 -9.4423 1.7421 0.0000 C 0 0 -8.6524 0.4669 0.0000 C 0 0 -7.1532 0.5134 0.0000 C 0 0 -10.6418 1.7049 0.0000 F 0 0 -4.8193 4.6606 0.0000 C 0 0 -4.0353 5.9336 0.0000 C 0 0 -4.7489 7.2530 0.0000 C 0 0 -6.2483 7.2947 0.0000 N 0 0 -7.0341 6.0170 0.0000 C 0 0 -6.3205 4.6976 0.0000 N 0 0 -8.5345 6.0557 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 11 2 0 7 8 1 0 8 9 1 0 9 10 2 0 9 19 1 0 10 11 1 0 10 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 15 18 1 0 16 17 1 0 19 24 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 23 25 1 0 M END > ZINC04617907 > 9 $$$$ SciTegic07110717442D 25 28 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5987 1.5004 0.0000 C 0 0 -3.9492 0.8772 0.0000 N 0 0 -4.9546 1.9903 0.0000 C 0 0 -4.2067 3.2905 0.0000 C 0 0 -2.7390 2.9810 0.0000 N 0 0 -4.8193 4.6606 0.0000 C 0 0 -3.8459 5.8041 0.0000 C 0 0 -4.3534 7.2156 0.0000 C 0 0 -5.8296 7.4819 0.0000 C 0 0 -6.7982 6.3366 0.0000 C 0 0 -6.2907 4.9251 0.0000 C 0 0 -6.3373 8.8942 0.0000 C 0 0 -6.7434 10.0234 0.0000 N 0 0 -6.3024 1.3303 0.0000 C 0 0 -7.4792 2.2632 0.0000 C 0 0 -8.8722 1.7067 0.0000 C 0 0 -9.0868 0.2222 0.0000 N 0 0 -7.9084 -0.7060 0.0000 C 0 0 -6.5154 -0.1495 0.0000 C 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 8 2 0 7 11 1 0 8 9 1 0 9 10 2 0 9 20 1 0 10 11 1 0 10 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 15 18 1 0 16 17 1 0 18 19 3 0 20 25 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 M END > ZINC03815786 > 9 $$$$ SciTegic07110717442D 26 29 0 0 0 0 999 V2000 2.5951 -3.0039 0.0000 C 0 0 2.5973 -1.5031 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 N 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 N 0 0 0.0000 3.0008 0.0000 C 0 0 1.2149 3.8587 0.0000 C 0 0 0.7536 5.2860 0.0000 N 0 0 -0.7464 5.2884 0.0000 C 0 0 -1.2122 3.8625 0.0000 N 0 0 -1.6266 6.5039 0.0000 C 0 0 -0.9080 7.8225 0.0000 C 0 0 -1.6939 9.1002 0.0000 C 0 0 -3.1933 9.0585 0.0000 C 0 0 -3.9069 7.7391 0.0000 C 0 0 -3.1210 6.4614 0.0000 C 0 0 2.6386 3.3842 0.0000 C 0 0 3.6760 4.4702 0.0000 C 0 0 5.1322 4.1105 0.0000 C 0 0 5.5487 2.6695 0.0000 C 0 0 4.5091 1.5882 0.0000 C 0 0 3.0529 1.9480 0.0000 C 0 0 6.7137 2.3817 0.0000 F 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 13 1 0 9 10 2 0 10 11 1 0 10 20 1 0 11 12 2 0 12 13 1 0 12 14 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 20 25 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 23 26 1 0 24 25 1 0 M END > ZINC04617909 > 9 $$$$ SciTegic07110717442D 26 29 0 0 0 0 999 V2000 1.2999 -2.2084 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1 0 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.9793 2.6107 0.0000 C 0 0 0.6377 4.0581 0.0000 C 0 0 1.9289 4.8216 0.0000 C 0 0 3.0540 3.8296 0.0000 C 0 0 2.4582 2.4530 0.0000 N 0 0 4.5186 4.1569 0.0000 C 0 0 4.8540 5.6206 0.0000 C 0 0 6.2892 6.0570 0.0000 C 0 0 7.3846 5.0323 0.0000 C 0 0 7.0449 3.5713 0.0000 C 0 0 5.6098 3.1349 0.0000 C 0 0 8.5327 5.3814 0.0000 F 0 0 1.5507 6.2739 0.0000 C 0 0 0.0761 6.5581 0.0000 C 0 0 -0.4101 7.9771 0.0000 C 0 0 0.5757 9.1077 0.0000 N 0 0 2.0477 8.8192 0.0000 C 0 0 2.5339 7.4001 0.0000 C 0 0 -1.2999 2.2084 0.0000 O 0 0 0.0000 -1.5000 0.0000 N 0 3 1 26 1 0 2 3 1 0 2 26 1 0 3 4 1 0 4 5 1 0 4 7 1 0 4 25 1 6 5 6 1 0 6 26 1 0 7 11 1 0 7 8 2 0 8 9 1 0 9 10 2 0 9 19 1 0 10 11 1 0 10 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 15 18 1 0 16 17 1 0 19 24 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 M CHG 1 26 1 M END > ZINC03832115 > 9 $$$$ SciTegic07110717442D 26 29 0 0 0 0 999 V2000 1.2999 -2.2084 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1 0 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.9793 2.6107 0.0000 C 0 0 2.4582 2.4530 0.0000 N 0 0 3.0540 3.8296 0.0000 C 0 0 1.9289 4.8216 0.0000 C 0 0 0.6377 4.0581 0.0000 N 0 0 2.0702 6.3157 0.0000 C 0 0 0.7817 7.0871 0.0000 C 0 0 0.8102 8.5868 0.0000 C 0 0 2.1233 9.3120 0.0000 C 0 0 3.4078 8.5374 0.0000 C 0 0 3.3793 7.0377 0.0000 C 0 0 2.1460 10.5118 0.0000 F 0 0 4.5422 3.6362 0.0000 C 0 0 5.3581 4.8970 0.0000 C 0 0 6.8559 4.8161 0.0000 C 0 0 7.5348 3.4786 0.0000 N 0 0 6.7159 2.2218 0.0000 C 0 0 5.2181 2.3027 0.0000 C 0 0 -1.2999 2.2084 0.0000 O 0 0 0.0000 -1.5000 0.0000 N 0 3 1 26 1 0 2 3 1 0 2 26 1 0 3 4 1 0 4 5 1 0 4 7 1 0 4 25 1 6 5 6 1 0 6 26 1 0 7 8 2 0 7 11 1 0 8 9 1 0 9 10 2 0 9 19 1 0 10 11 1 0 10 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 15 18 1 0 16 17 1 0 19 24 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 M CHG 1 26 1 M END > ZINC03815724 > 9 $$$$ SciTegic07110717442D 26 29 0 0 0 0 999 V2000 1.2999 -2.2084 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1 0 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.9793 2.6107 0.0000 C 0 0 0.6377 4.0581 0.0000 N 0 0 1.9289 4.8216 0.0000 C 0 0 3.0540 3.8296 0.0000 C 0 0 2.4582 2.4530 0.0000 O 0 0 4.5186 4.1569 0.0000 C 0 0 4.8540 5.6206 0.0000 C 0 0 6.2892 6.0570 0.0000 C 0 0 7.3846 5.0323 0.0000 N 0 0 7.0449 3.5713 0.0000 C 0 0 5.6098 3.1349 0.0000 C 0 0 1.5507 6.2739 0.0000 C 0 0 0.0761 6.5581 0.0000 C 0 0 -0.4101 7.9771 0.0000 C 0 0 0.5757 9.1077 0.0000 C 0 0 2.0477 8.8192 0.0000 C 0 0 2.5339 7.4001 0.0000 C 0 0 0.1868 10.2429 0.0000 F 0 0 -1.2999 2.2084 0.0000 O 0 0 0.0000 -1.5000 0.0000 N 0 3 1 26 1 0 2 3 1 0 2 26 1 0 3 4 1 0 4 5 1 0 4 7 1 0 4 25 1 6 5 6 1 0 6 26 1 0 7 11 1 0 7 8 2 0 8 9 1 0 9 10 2 0 9 18 1 0 10 11 1 0 10 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 18 23 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 21 24 1 0 22 23 1 0 M CHG 1 26 1 M END > ZINC03832140 > 9 $$$$ SciTegic07110717442D 26 29 0 0 0 0 999 V2000 1.2999 -2.2084 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 2 0 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.9793 2.6107 0.0000 C 0 0 0.6377 4.0581 0.0000 N 0 0 1.9289 4.8216 0.0000 C 0 0 3.0540 3.8296 0.0000 C 0 0 2.4582 2.4530 0.0000 S 0 0 4.5186 4.1569 0.0000 C 0 0 4.8540 5.6206 0.0000 C 0 0 6.2892 6.0570 0.0000 C 0 0 7.3846 5.0323 0.0000 N 0 0 7.0449 3.5713 0.0000 C 0 0 5.6098 3.1349 0.0000 C 0 0 1.5507 6.2739 0.0000 C 0 0 0.0761 6.5581 0.0000 C 0 0 -0.4101 7.9771 0.0000 C 0 0 0.5757 9.1077 0.0000 C 0 0 2.0477 8.8192 0.0000 C 0 0 2.5339 7.4001 0.0000 C 0 0 0.1868 10.2429 0.0000 F 0 0 -1.2999 2.2084 0.0000 O 0 0 0.0000 -1.5000 0.0000 N 0 3 1 26 1 0 2 3 1 0 2 26 1 0 3 4 1 0 4 5 1 0 4 7 1 0 4 25 1 1 5 6 1 0 6 26 1 0 7 11 1 0 7 8 2 0 8 9 1 0 9 10 2 0 9 18 1 0 10 11 1 0 10 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 18 23 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 21 24 1 0 22 23 1 0 M CHG 1 26 1 M END > ZINC03832156 > 9 $$$$ SciTegic07110717442D 26 29 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.7770 1.0106 0.0000 C 0 0 3.4109 2.3560 0.0000 C 0 0 4.8966 2.1496 0.0000 C 0 0 5.7288 3.0142 0.0000 O 0 0 5.1595 0.6728 0.0000 N 0 0 3.8362 -0.0335 0.0000 N 0 0 6.5094 0.0171 0.0000 C 0 0 7.6832 0.9537 0.0000 C 0 0 9.0779 0.4017 0.0000 C 0 0 9.2972 -1.0822 0.0000 C 0 0 8.1218 -2.0140 0.0000 C 0 0 6.7271 -1.4620 0.0000 C 0 0 10.4130 -1.5238 0.0000 Cl 0 0 2.6964 3.6758 0.0000 C 0 0 3.5858 4.8859 0.0000 C 0 0 2.9786 6.2575 0.0000 C 0 0 1.4872 6.4175 0.0000 N 0 0 0.6029 5.2059 0.0000 C 0 0 1.2100 3.8343 0.0000 C 0 0 -2.3383 -1.3500 0.0000 F 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 26 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 12 1 0 7 8 2 0 8 9 1 0 8 20 1 0 9 10 2 0 9 11 1 0 11 12 1 0 11 13 1 0 13 18 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 16 19 1 0 17 18 1 0 20 25 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 M END > ZINC03832165 > 9 $$$$ SciTegic07110717442D 26 29 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5988 1.5004 0.0000 C 0 0 -2.5987 -1.5004 0.0000 C 0 0 -2.7343 -2.9815 0.0000 N 0 0 -4.2010 -3.2957 0.0000 C 0 0 -4.9530 -1.9978 0.0000 C 0 0 -3.9511 -0.8815 0.0000 N 0 0 -6.4458 -1.8433 0.0000 C 0 0 -6.9494 -0.4286 0.0000 C 0 0 -8.4256 -0.1623 0.0000 C 0 0 -9.3943 -1.3076 0.0000 C 0 0 -8.8868 -2.7191 0.0000 C 0 0 -7.4106 -2.9854 0.0000 C 0 0 -10.5752 -1.0946 0.0000 F 0 0 -4.3033 -4.7929 0.0000 C 0 0 -5.6996 -5.3456 0.0000 C 0 0 -5.9142 -6.8302 0.0000 C 0 0 -4.7358 -7.7583 0.0000 N 0 0 -3.3428 -7.2018 0.0000 C 0 0 -3.1283 -5.7173 0.0000 C 0 0 3.8990 0.7508 0.0000 N 0 3 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 26 1 0 8 9 2 0 8 12 1 0 9 10 1 0 10 11 2 0 10 20 1 0 11 12 1 0 11 13 1 0 13 18 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 16 19 1 0 17 18 1 0 20 25 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 M CHG 1 26 1 M END > ZINC03815680 > 9 $$$$ SciTegic07110717442D 26 29 0 0 0 0 999 V2000 2.5951 -3.0039 0.0000 C 0 0 2.5973 -1.5031 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5987 1.5004 0.0000 C 0 0 -3.9492 0.8772 0.0000 N 0 0 -4.9546 1.9903 0.0000 C 0 0 -4.2067 3.2905 0.0000 C 0 0 -2.7390 2.9810 0.0000 N 0 0 -4.8193 4.6606 0.0000 C 0 0 -3.8459 5.8041 0.0000 C 0 0 -4.3534 7.2156 0.0000 C 0 0 -5.8296 7.4819 0.0000 C 0 0 -6.7982 6.3366 0.0000 C 0 0 -6.2907 4.9251 0.0000 C 0 0 -6.2356 8.6111 0.0000 F 0 0 -6.3024 1.3303 0.0000 C 0 0 -7.4792 2.2632 0.0000 C 0 0 -8.8722 1.7067 0.0000 C 0 0 -9.0868 0.2222 0.0000 N 0 0 -7.9084 -0.7060 0.0000 C 0 0 -6.5154 -0.1495 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 6 9 1 0 7 8 1 0 9 10 2 0 9 13 1 0 10 11 1 0 11 12 2 0 11 21 1 0 12 13 1 0 12 14 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 17 20 1 0 18 19 1 0 21 26 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 M END > ZINC03815759 > 9 $$$$ SciTegic07110717442D 26 29 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5988 1.5004 0.0000 C 0 0 3.6380 2.1004 0.0000 N 0 0 -2.5987 -1.5004 0.0000 C 0 0 -2.7343 -2.9815 0.0000 N 0 0 -4.2010 -3.2957 0.0000 C 0 0 -4.9530 -1.9978 0.0000 C 0 0 -3.9511 -0.8815 0.0000 N 0 0 -6.4458 -1.8433 0.0000 C 0 0 -6.9494 -0.4286 0.0000 C 0 0 -8.4256 -0.1623 0.0000 C 0 0 -9.3943 -1.3076 0.0000 C 0 0 -8.8868 -2.7191 0.0000 C 0 0 -7.4106 -2.9854 0.0000 C 0 0 -10.5752 -1.0946 0.0000 F 0 0 -4.3033 -4.7929 0.0000 C 0 0 -5.6996 -5.3456 0.0000 C 0 0 -5.9142 -6.8302 0.0000 C 0 0 -4.7358 -7.7583 0.0000 N 0 0 -3.3428 -7.2018 0.0000 C 0 0 -3.1283 -5.7173 0.0000 C 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 9 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 3 0 9 10 2 0 9 13 1 0 10 11 1 0 11 12 2 0 11 21 1 0 12 13 1 0 12 14 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 17 20 1 0 18 19 1 0 21 26 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 M END > ZINC03815725 > 9 $$$$ SciTegic07110717442D 26 29 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.7770 1.0106 0.0000 C 0 0 3.4109 2.3560 0.0000 C 0 0 4.8966 2.1496 0.0000 N 0 0 5.1595 0.6728 0.0000 N 0 0 3.8362 -0.0335 0.0000 C 0 0 3.6640 -1.2211 0.0000 O 0 0 6.5094 0.0171 0.0000 C 0 0 7.6832 0.9537 0.0000 C 0 0 9.0779 0.4017 0.0000 C 0 0 9.2972 -1.0822 0.0000 C 0 0 8.1218 -2.0140 0.0000 C 0 0 6.7271 -1.4620 0.0000 C 0 0 10.4130 -1.5238 0.0000 Cl 0 0 2.6964 3.6758 0.0000 C 0 0 3.5858 4.8859 0.0000 C 0 0 2.9786 6.2575 0.0000 C 0 0 1.4872 6.4175 0.0000 N 0 0 0.6029 5.2059 0.0000 C 0 0 1.2100 3.8343 0.0000 C 0 0 -2.3383 -1.3500 0.0000 F 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 26 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 11 1 0 7 8 2 0 8 9 1 0 8 20 1 0 9 10 1 0 10 11 1 0 10 13 1 0 11 12 2 0 13 18 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 16 19 1 0 17 18 1 0 20 25 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 M END > ZINC03832073 > 9 $$$$ SciTegic07110717442D 26 29 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.2637 1.8996 0.0000 C 0 0 -3.7458 1.7759 0.0000 C 0 0 -4.3099 3.1658 0.0000 C 0 0 -3.1624 4.1318 0.0000 C 0 0 -1.8891 3.3390 0.0000 N 0 0 -3.2695 5.6287 0.0000 C 0 0 -4.6676 6.1770 0.0000 C 0 0 -4.8868 7.6609 0.0000 C 0 0 -3.7114 8.5927 0.0000 C 0 0 -2.3167 8.0407 0.0000 C 0 0 -2.0974 6.5568 0.0000 C 0 0 -3.9278 10.0779 0.0000 C 0 0 -2.9864 10.8220 0.0000 O 0 0 -4.5315 0.4973 0.0000 C 0 0 -6.0242 0.6624 0.0000 C 0 0 -6.9085 -0.5492 0.0000 C 0 0 -6.3013 -1.9208 0.0000 N 0 0 -4.8099 -2.0808 0.0000 C 0 0 -3.9256 -0.8692 0.0000 C 0 0 -5.0428 10.5214 0.0000 O 0 5 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 11 1 0 7 8 2 0 8 9 1 0 8 20 1 0 9 10 2 0 10 11 1 0 10 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 15 18 1 0 16 17 1 0 18 19 2 0 18 26 1 0 20 25 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 M CHG 1 26 -1 M END > ZINC03832054 > 9 $$$$ SciTegic07110717442D 27 30 0 0 0 0 999 V2000 2.5951 -3.0039 0.0000 C 0 0 2.5973 -1.5031 0.0000 S 0 0 3.6375 -0.9049 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5987 1.5004 0.0000 C 0 0 2.7343 2.9815 0.0000 N 0 0 4.2010 3.2957 0.0000 C 0 0 4.9530 1.9978 0.0000 C 0 0 3.9511 0.8815 0.0000 N 0 0 6.4458 1.8433 0.0000 C 0 0 6.9494 0.4286 0.0000 C 0 0 8.4256 0.1623 0.0000 C 0 0 9.3943 1.3076 0.0000 C 0 0 8.8868 2.7191 0.0000 C 0 0 7.4106 2.9854 0.0000 C 0 0 10.5752 1.0946 0.0000 F 0 0 4.3033 4.7929 0.0000 C 0 0 5.6996 5.3456 0.0000 C 0 0 5.9142 6.8302 0.0000 C 0 0 4.7358 7.7583 0.0000 N 0 0 3.3428 7.2018 0.0000 C 0 0 3.1282 5.7173 0.0000 C 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 2 0 10 14 1 0 11 12 1 0 12 13 2 0 12 22 1 0 13 14 1 0 13 15 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 18 21 1 0 19 20 1 0 22 27 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 M END > ZINC03815776 > 9 $$$$ SciTegic07110717442D 27 30 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5987 1.5004 0.0000 C 0 0 2.7343 2.9815 0.0000 N 0 0 4.2010 3.2957 0.0000 C 0 0 4.9530 1.9978 0.0000 C 0 0 3.9511 0.8815 0.0000 N 0 0 6.4458 1.8433 0.0000 C 0 0 6.9494 0.4286 0.0000 C 0 0 8.4256 0.1623 0.0000 C 0 0 9.3943 1.3076 0.0000 C 0 0 8.8868 2.7191 0.0000 C 0 0 7.4106 2.9854 0.0000 C 0 0 10.5752 1.0946 0.0000 F 0 0 4.3033 4.7929 0.0000 C 0 0 5.6996 5.3456 0.0000 C 0 0 5.9142 6.8302 0.0000 C 0 0 4.7358 7.7583 0.0000 N 0 0 3.3428 7.2018 0.0000 C 0 0 3.1282 5.7173 0.0000 C 0 0 -2.6003 -1.4978 0.0000 N 0 3 -3.6387 -0.8963 0.0000 O 0 0 -2.6024 -2.6978 0.0000 O 0 5 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 25 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 2 0 7 11 1 0 8 9 1 0 9 10 2 0 9 19 1 0 10 11 1 0 10 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 15 18 1 0 16 17 1 0 19 24 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 25 26 2 0 25 27 1 0 M CHG 2 25 1 27 -1 M END > ZINC03815705 > 9 $$$$ SciTegic07110717442D 27 30 0 0 0 0 999 V2000 2.5951 -3.0039 0.0000 C 0 0 2.5973 -1.5031 0.0000 S 0 0 3.6375 -0.9049 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5987 1.5004 0.0000 C 0 0 -2.7390 2.9810 0.0000 N 0 0 -4.2067 3.2905 0.0000 C 0 0 -4.9546 1.9903 0.0000 C 0 0 -3.9492 0.8772 0.0000 N 0 0 -6.4469 1.8311 0.0000 C 0 0 -7.2337 3.1102 0.0000 C 0 0 -8.7329 3.0637 0.0000 C 0 0 -9.4423 1.7421 0.0000 C 0 0 -8.6524 0.4669 0.0000 C 0 0 -7.1532 0.5134 0.0000 C 0 0 -10.6418 1.7049 0.0000 F 0 0 -4.3138 4.7875 0.0000 C 0 0 -3.0079 5.5291 0.0000 C 0 0 -3.0021 7.0291 0.0000 C 0 0 -4.2982 7.7842 0.0000 N 0 0 -5.6001 7.0393 0.0000 C 0 0 -5.6060 5.5393 0.0000 C 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 7 10 1 0 8 9 1 0 10 14 2 0 10 11 1 0 11 12 1 0 12 13 2 0 12 22 1 0 13 14 1 0 13 15 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 18 21 1 0 19 20 1 0 22 27 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 M END > ZINC03815700 > 9 $$$$ SciTegic07110717442D 27 30 0 0 0 0 999 V2000 2.5951 -3.0039 0.0000 C 0 0 2.5973 -1.5031 0.0000 S 0 0 3.6375 -0.9049 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5987 1.5004 0.0000 C 0 0 -3.9492 0.8772 0.0000 N 0 0 -4.9546 1.9903 0.0000 C 0 0 -4.2067 3.2905 0.0000 C 0 0 -2.7390 2.9810 0.0000 N 0 0 -4.8193 4.6606 0.0000 C 0 0 -3.8459 5.8041 0.0000 C 0 0 -4.3534 7.2156 0.0000 C 0 0 -5.8296 7.4819 0.0000 C 0 0 -6.7982 6.3366 0.0000 C 0 0 -6.2907 4.9251 0.0000 C 0 0 -6.2356 8.6111 0.0000 F 0 0 -6.3024 1.3303 0.0000 C 0 0 -7.4792 2.2632 0.0000 C 0 0 -8.8722 1.7067 0.0000 C 0 0 -9.0868 0.2222 0.0000 N 0 0 -7.9084 -0.7060 0.0000 C 0 0 -6.5154 -0.1495 0.0000 C 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 7 10 1 0 8 9 1 0 10 11 2 0 10 14 1 0 11 12 1 0 12 13 2 0 12 22 1 0 13 14 1 0 13 15 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 18 21 1 0 19 20 1 0 22 27 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 M END > ZINC03995359 > 9 $$$$ SciTegic07110717442D 27 30 0 0 0 0 999 V2000 2.5951 -3.0039 0.0000 C 0 0 2.5973 -1.5031 0.0000 S 0 0 3.6375 -0.9049 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5987 1.5004 0.0000 C 0 0 -2.7390 2.9810 0.0000 N 0 0 -4.2067 3.2905 0.0000 C 0 0 -4.9546 1.9903 0.0000 C 0 0 -3.9492 0.8772 0.0000 N 0 0 -6.4469 1.8311 0.0000 C 0 0 -7.2337 3.1102 0.0000 C 0 0 -8.7329 3.0637 0.0000 C 0 0 -9.4423 1.7421 0.0000 C 0 0 -8.6524 0.4669 0.0000 C 0 0 -7.1532 0.5134 0.0000 C 0 0 -9.2199 -0.5904 0.0000 Cl 0 0 -4.3138 4.7875 0.0000 C 0 0 -3.0079 5.5291 0.0000 C 0 0 -3.0021 7.0291 0.0000 C 0 0 -4.2982 7.7842 0.0000 N 0 0 -5.6001 7.0393 0.0000 C 0 0 -5.6060 5.5393 0.0000 C 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 7 10 1 0 8 9 1 0 10 14 2 0 10 11 1 0 11 12 1 0 12 13 2 0 12 22 1 0 13 14 1 0 13 15 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 19 21 1 0 22 27 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 M END > ZINC03794516 > 9 $$$$ SciTegic07110717442D 27 30 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5987 1.5004 0.0000 C 0 0 2.7343 2.9815 0.0000 N 0 0 4.2010 3.2957 0.0000 C 0 0 4.9530 1.9978 0.0000 C 0 0 3.9511 0.8815 0.0000 N 0 0 6.4458 1.8433 0.0000 C 0 0 6.9494 0.4286 0.0000 C 0 0 8.4256 0.1623 0.0000 C 0 0 9.3943 1.3076 0.0000 C 0 0 8.8868 2.7191 0.0000 C 0 0 7.4106 2.9854 0.0000 C 0 0 10.5752 1.0946 0.0000 F 0 0 4.3033 4.7929 0.0000 C 0 0 5.6996 5.3456 0.0000 C 0 0 5.9142 6.8302 0.0000 C 0 0 4.7358 7.7583 0.0000 N 0 0 3.3428 7.2018 0.0000 C 0 0 3.1282 5.7173 0.0000 C 0 0 -2.6003 -1.4978 0.0000 C 0 0 -3.6387 -0.8963 0.0000 O 0 0 -2.6024 -2.6978 0.0000 O 0 5 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 25 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 2 0 7 11 1 0 8 9 1 0 9 10 2 0 9 19 1 0 10 11 1 0 10 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 15 18 1 0 16 17 1 0 19 24 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 25 26 2 0 25 27 1 0 M CHG 1 27 -1 M END > ZINC03815770 > 9 $$$$ SciTegic07110717442D 27 30 0 0 0 0 999 V2000 2.5951 -3.0039 0.0000 C 0 0 2.5973 -1.5031 0.0000 S 0 0 3.6375 -0.9049 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 3.0008 0.0000 C 0 0 1.2121 3.8625 0.0000 N 0 0 0.7463 5.2884 0.0000 C 0 0 -0.7536 5.2860 0.0000 C 0 0 -1.2149 3.8587 0.0000 N 0 0 -1.6377 6.4987 0.0000 C 0 0 -0.9233 7.8196 0.0000 C 0 0 -1.7132 9.0948 0.0000 C 0 0 -3.2125 9.0483 0.0000 C 0 0 -3.9219 7.7267 0.0000 C 0 0 -3.1320 6.4515 0.0000 C 0 0 -3.8444 10.0685 0.0000 F 0 0 1.9892 6.1296 0.0000 C 0 0 3.2844 5.3695 0.0000 C 0 0 4.5863 6.1144 0.0000 C 0 0 4.5922 7.6144 0.0000 N 0 0 3.2961 8.3695 0.0000 C 0 0 1.9942 7.6246 0.0000 C 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 14 2 0 10 11 1 0 11 12 1 0 12 13 2 0 12 22 1 0 13 14 1 0 13 15 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 18 21 1 0 19 20 1 0 22 27 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 M END > ZINC04617912 > 9 $$$$ SciTegic07110717442D 27 30 0 0 0 0 999 V2000 2.5951 -3.0039 0.0000 C 0 0 2.5973 -1.5031 0.0000 S 0 0 3.6375 -0.9049 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5987 1.5004 0.0000 C 0 0 3.9511 0.8815 0.0000 N 0 0 4.9530 1.9978 0.0000 C 0 0 4.2010 3.2957 0.0000 C 0 0 2.7343 2.9815 0.0000 N 0 0 4.8092 4.6676 0.0000 C 0 0 6.3103 4.7094 0.0000 C 0 0 7.0197 6.0311 0.0000 C 0 0 6.2298 7.3063 0.0000 C 0 0 4.7306 7.2598 0.0000 C 0 0 4.0212 5.9381 0.0000 C 0 0 6.7973 8.3636 0.0000 F 0 0 6.3029 1.3421 0.0000 C 0 0 6.2923 -0.1596 0.0000 C 0 0 7.5884 -0.9147 0.0000 C 0 0 8.8904 -0.1698 0.0000 N 0 0 8.8963 1.3302 0.0000 C 0 0 7.6002 2.0853 0.0000 C 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 14 2 0 10 11 1 0 11 12 1 0 12 13 2 0 12 22 1 0 13 14 1 0 13 15 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 18 21 1 0 19 20 1 0 22 27 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 M END > ZINC04617922 > 9 $$$$ SciTegic07110717442D 27 30 0 0 0 0 999 V2000 2.5951 -3.0039 0.0000 C 0 0 2.5973 -1.5031 0.0000 S 0 0 3.6375 -0.9049 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 3.0008 0.0000 C 0 0 -1.2149 3.8587 0.0000 N 0 0 -0.7536 5.2860 0.0000 C 0 0 0.7463 5.2884 0.0000 C 0 0 1.2121 3.8625 0.0000 N 0 0 1.6265 6.5039 0.0000 C 0 0 3.1036 6.2327 0.0000 C 0 0 4.0722 7.3780 0.0000 C 0 0 3.5647 8.7895 0.0000 C 0 0 2.0885 9.0558 0.0000 C 0 0 1.1199 7.9105 0.0000 C 0 0 4.3397 9.7057 0.0000 F 0 0 -1.9992 6.1232 0.0000 C 0 0 -1.7796 7.6088 0.0000 C 0 0 -2.9580 8.5369 0.0000 C 0 0 -4.3510 7.9805 0.0000 N 0 0 -4.5656 6.4959 0.0000 C 0 0 -3.3872 5.5678 0.0000 C 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 2 0 10 14 1 0 11 12 1 0 12 13 2 0 12 22 1 0 13 14 1 0 13 15 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 18 21 1 0 19 20 1 0 22 27 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 M END > ZINC03815741 > 9 $$$$ SciTegic07110717442D 27 30 0 0 0 0 999 V2000 2.5951 -3.0039 0.0000 C 0 0 2.5973 -1.5031 0.0000 S 0 0 3.6375 -0.9049 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5987 1.5004 0.0000 C 0 0 -2.7390 2.9810 0.0000 N 0 0 -4.2067 3.2905 0.0000 C 0 0 -4.9546 1.9903 0.0000 C 0 0 -3.9492 0.8772 0.0000 N 0 0 -6.4469 1.8311 0.0000 C 0 0 -7.2337 3.1102 0.0000 C 0 0 -8.7329 3.0637 0.0000 C 0 0 -9.4423 1.7421 0.0000 C 0 0 -8.6524 0.4669 0.0000 C 0 0 -7.1532 0.5134 0.0000 C 0 0 -4.3138 4.7875 0.0000 C 0 0 -3.0079 5.5291 0.0000 C 0 0 -3.0021 7.0291 0.0000 C 0 0 -4.2982 7.7842 0.0000 N 0 0 -5.6001 7.0393 0.0000 C 0 0 -5.6060 5.5393 0.0000 C 0 0 -6.5209 -0.5066 0.0000 S 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 7 10 1 0 8 9 1 0 10 14 2 0 10 11 1 0 11 12 1 0 12 13 2 0 12 21 1 0 13 14 1 0 13 15 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 27 1 0 21 26 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 M END > ZINC04617919 > 9 $$$$ SciTegic07110717442D 28 31 0 0 0 0 999 V2000 2.5988 -1.5004 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 N 0 0 -2.7770 -1.0106 0.0000 C 0 0 -3.4109 -2.3560 0.0000 C 0 0 -4.8966 -2.1496 0.0000 N 0 0 -5.1595 -0.6728 0.0000 C 0 0 -3.8362 0.0335 0.0000 N 0 0 -6.5094 -0.0171 0.0000 C 0 0 -7.6832 -0.9537 0.0000 C 0 0 -9.0779 -0.4017 0.0000 C 0 0 -9.2972 1.0822 0.0000 C 0 0 -8.1218 2.0140 0.0000 C 0 0 -6.7271 1.4620 0.0000 C 0 0 -10.6916 1.6374 0.0000 S 0 0 -11.6332 0.8936 0.0000 O 0 0 -10.9089 3.1224 0.0000 C 0 0 -2.6964 -3.6758 0.0000 C 0 0 -3.5858 -4.8859 0.0000 C 0 0 -2.9786 -6.2575 0.0000 C 0 0 -1.4872 -6.4175 0.0000 C 0 0 -0.6029 -5.2059 0.0000 C 0 0 -1.2101 -3.8343 0.0000 C 0 0 -1.0015 -7.5148 0.0000 F 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 4 8 1 0 5 6 2 0 6 7 1 0 8 12 1 0 8 9 2 0 9 10 1 0 9 22 1 0 10 11 2 0 11 12 1 0 11 13 1 0 13 18 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 16 19 1 0 17 18 1 0 19 20 2 0 19 21 1 0 22 27 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 25 28 1 0 26 27 1 0 M END > ZINC03794511 > 9 $$$$ SciTegic07110717442D 28 31 0 0 0 0 999 V2000 3.8990 -0.7508 0.0000 C 0 0 2.5988 -1.5004 0.0000 S 0 0 1 0 0 0 2.5984 -2.7004 0.0000 O 0 0 2.5992 -0.3004 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5987 1.5004 0.0000 C 0 0 -2.7390 2.9810 0.0000 N 0 0 -4.2067 3.2905 0.0000 C 0 0 -4.9546 1.9903 0.0000 C 0 0 -3.9492 0.8772 0.0000 N 0 0 -6.4469 1.8311 0.0000 C 0 0 -7.2337 3.1102 0.0000 C 0 0 -8.7329 3.0637 0.0000 C 0 0 -9.4423 1.7421 0.0000 C 0 0 -8.6524 0.4669 0.0000 C 0 0 -7.1532 0.5134 0.0000 C 0 0 -10.6418 1.7049 0.0000 F 0 0 -4.3138 4.7875 0.0000 C 0 0 -3.0079 5.5291 0.0000 C 0 0 -3.0021 7.0291 0.0000 C 0 0 -4.2982 7.7842 0.0000 N 0 0 -5.6001 7.0393 0.0000 C 0 0 -5.6060 5.5393 0.0000 C 0 0 1 2 1 0 2 3 2 0 2 4 2 0 2 5 1 6 5 10 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 8 11 1 0 9 10 1 0 11 15 2 0 11 12 1 0 12 13 1 0 13 14 2 0 13 23 1 0 14 15 1 0 14 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 19 22 1 0 20 21 1 0 23 28 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 M END > ZINC00833184 > 9 $$$$ SciTegic07110717442D 28 31 0 0 0 0 999 V2000 2.5988 -1.5004 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 N 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.7770 1.0106 0.0000 C 0 0 3.4152 2.3540 0.0000 C 0 0 4.9002 2.1429 0.0000 N 0 0 5.1584 0.6653 0.0000 C 0 0 3.8328 -0.0368 0.0000 N 0 0 6.5062 0.0053 0.0000 C 0 0 7.6830 0.9382 0.0000 C 0 0 9.0760 0.3817 0.0000 C 0 0 9.2905 -1.1028 0.0000 C 0 0 8.1122 -2.0310 0.0000 C 0 0 6.7192 -1.4745 0.0000 C 0 0 10.6831 -1.6625 0.0000 S 0 0 11.6271 -0.9216 0.0000 O 0 0 10.8957 -3.1482 0.0000 C 0 0 2.7048 3.6760 0.0000 C 0 0 3.5981 4.8833 0.0000 C 0 0 2.9953 6.2569 0.0000 C 0 0 1.5043 6.4216 0.0000 C 0 0 0.6162 5.2128 0.0000 C 0 0 1.2190 3.8392 0.0000 C 0 0 1.0221 7.5204 0.0000 F 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 12 1 0 8 9 2 0 9 10 1 0 9 22 1 0 10 11 1 0 11 13 1 0 11 12 2 0 13 18 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 16 19 1 0 17 18 1 0 19 20 2 0 19 21 1 0 22 27 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 25 28 1 0 26 27 1 0 M END > ZINC03815757 > 9 $$$$ SciTegic07110717442D 28 31 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 3.0008 0.0000 C 0 0 1 0 0 0 -1.0389 3.6015 0.0000 F 0 0 1.0394 3.6005 0.0000 F 0 0 0.0005 4.2008 0.0000 F 0 0 -2.5987 -1.5004 0.0000 C 0 0 -2.7389 -2.9810 0.0000 C 0 0 -4.2067 -3.2906 0.0000 N 0 0 -4.9546 -1.9904 0.0000 C 0 0 -3.9492 -0.8772 0.0000 N 0 0 -6.4444 -1.8313 0.0000 C 0 0 2 0 0 0 -5.8134 -3.1697 0.0000 C 0 0 -6.6983 -4.3809 0.0000 C 0 0 -8.7961 -2.8483 0.0000 C 0 0 -7.9113 -1.6371 0.0000 C 0 0 -1.6193 -3.9804 0.0000 C 0 0 -1.8075 -5.4632 0.0000 C 0 0 -0.6126 -6.3700 0.0000 C 0 0 0.7701 -5.7887 0.0000 N 0 0 0.9580 -4.3005 0.0000 C 0 0 -0.2368 -3.3937 0.0000 N 0 0 2.3404 -3.7160 0.0000 N 0 0 -8.1896 -4.2202 0.0000 N 0 3 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 11 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 8 1 1 7 9 1 0 7 10 1 0 11 15 1 0 11 12 2 0 12 13 1 0 12 21 1 0 13 14 1 0 14 15 2 0 16 14 1 6 16 20 1 0 16 17 1 0 17 18 1 0 18 28 1 0 19 20 1 0 19 28 1 0 21 26 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 25 27 1 0 M CHG 1 28 1 M END > ZINC04617900 > 9 $$$$ SciTegic07110717442D 28 31 0 0 0 0 999 V2000 2.5951 -3.0039 0.0000 C 0 0 2.5973 -1.5031 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.5133 2.9102 0.0000 C 0 0 1.9471 3.3055 0.0000 C 0 0 1.9970 4.8046 0.0000 N 0 0 0.5867 5.3154 0.0000 C 0 0 -0.3349 4.1319 0.0000 N 0 0 0.1707 6.7574 0.0000 C 0 0 1.2938 7.7543 0.0000 C 0 0 0.9877 9.2227 0.0000 C 0 0 -0.4371 9.6918 0.0000 C 0 0 -1.5557 8.6925 0.0000 C 0 0 -1.2496 7.2241 0.0000 C 0 0 -0.7464 11.1605 0.0000 S 0 0 0.1471 11.9615 0.0000 O 0 0 -2.1726 11.6278 0.0000 C 0 0 3.1256 2.3764 0.0000 C 0 0 4.4697 3.0464 0.0000 C 0 0 5.7177 2.2142 0.0000 C 0 0 5.6211 0.7174 0.0000 N 0 0 4.2764 0.0526 0.0000 C 0 0 3.0284 0.8848 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 13 1 0 9 10 2 0 10 11 1 0 10 23 1 0 11 12 1 0 12 13 2 0 12 14 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 17 20 1 0 18 19 1 0 20 21 2 0 20 22 1 0 23 28 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 M END > ZINC04617916 > 9 $$$$ SciTegic07110717442D 28 31 0 0 0 0 999 V2000 3.8933 -3.7570 0.0000 C 0 0 2.5951 -3.0039 0.0000 O 0 0 2.5973 -1.5031 0.0000 C 0 0 3.6375 -0.9049 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5987 1.5004 0.0000 C 0 0 -3.9492 0.8772 0.0000 N 0 0 -4.9546 1.9903 0.0000 C 0 0 -4.2067 3.2905 0.0000 C 0 0 -2.7390 2.9810 0.0000 N 0 0 -4.8193 4.6606 0.0000 C 0 0 -3.8459 5.8041 0.0000 C 0 0 -4.3534 7.2156 0.0000 C 0 0 -5.8296 7.4819 0.0000 C 0 0 -6.7982 6.3366 0.0000 C 0 0 -6.2907 4.9251 0.0000 C 0 0 -6.2356 8.6111 0.0000 F 0 0 -6.3024 1.3303 0.0000 C 0 0 -7.4792 2.2632 0.0000 C 0 0 -8.8722 1.7067 0.0000 C 0 0 -9.0868 0.2222 0.0000 N 0 0 -7.9084 -0.7060 0.0000 C 0 0 -6.5154 -0.1495 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 1 0 5 10 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 8 11 1 0 9 10 1 0 11 12 2 0 11 15 1 0 12 13 1 0 13 14 2 0 13 23 1 0 14 15 1 0 14 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 19 22 1 0 20 21 1 0 23 28 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 M END > ZINC03815756 > 9 $$$$ SciTegic07110717442D 28 31 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5987 1.5004 0.0000 C 0 0 3.9511 0.8815 0.0000 N 0 0 4.9530 1.9978 0.0000 C 0 0 4.2010 3.2957 0.0000 C 0 0 2.7343 2.9815 0.0000 N 0 0 4.8092 4.6676 0.0000 C 0 0 6.3103 4.7094 0.0000 C 0 0 7.0197 6.0311 0.0000 C 0 0 6.2298 7.3063 0.0000 C 0 0 4.7306 7.2598 0.0000 C 0 0 4.0212 5.9381 0.0000 C 0 0 6.7973 8.3636 0.0000 F 0 0 6.3029 1.3421 0.0000 C 0 0 6.2923 -0.1596 0.0000 C 0 0 7.5884 -0.9147 0.0000 C 0 0 8.8904 -0.1698 0.0000 N 0 0 8.8963 1.3302 0.0000 C 0 0 7.6002 2.0853 0.0000 C 0 0 -2.6003 -1.4978 0.0000 C 0 0 -3.8990 -0.7455 0.0000 N 0 0 -5.2003 -1.4932 0.0000 O 0 0 -2.6060 -2.9986 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 25 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 11 2 0 7 8 1 0 8 9 1 0 9 10 2 0 9 19 1 0 10 11 1 0 10 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 15 18 1 0 16 17 1 0 19 24 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 25 26 2 0 25 28 1 0 26 27 1 0 M END > ZINC04617911 > 9 $$$$ SciTegic07110717442D 28 31 0 0 0 0 999 V2000 2.5988 -1.5004 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 N 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.2637 1.8997 0.0000 C 0 0 1.8845 3.3378 0.0000 C 0 0 3.1553 4.1347 0.0000 N 0 0 4.3059 3.1723 0.0000 C 0 0 3.7462 1.7807 0.0000 N 0 0 5.7615 3.5377 0.0000 C 0 0 6.0586 5.0097 0.0000 C 0 0 7.4819 5.4834 0.0000 C 0 0 8.6037 4.4876 0.0000 C 0 0 8.3023 3.0182 0.0000 C 0 0 6.8790 2.5446 0.0000 C 0 0 10.0287 4.9586 0.0000 S 0 0 10.2719 6.1337 0.0000 O 0 0 11.1497 3.9607 0.0000 C 0 0 0.4888 3.8895 0.0000 C 0 0 0.3923 5.3882 0.0000 C 0 0 -0.9545 6.0486 0.0000 C 0 0 -2.1999 5.2125 0.0000 C 0 0 -2.0984 3.7160 0.0000 C 0 0 -0.7517 3.0555 0.0000 C 0 0 -3.2773 5.7409 0.0000 F 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 12 1 0 8 9 2 0 9 10 1 0 9 22 1 0 10 11 2 0 11 12 1 0 11 13 1 0 13 18 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 16 19 1 0 17 18 1 0 19 20 2 0 19 21 1 0 22 27 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 25 28 1 0 26 27 1 0 M END > ZINC04617915 > 9 $$$$ SciTegic07110717442D 28 31 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5987 1.5004 0.0000 C 0 0 3.9511 0.8815 0.0000 N 0 0 4.9530 1.9978 0.0000 C 0 0 4.2010 3.2957 0.0000 C 0 0 2.7343 2.9815 0.0000 N 0 0 4.8092 4.6676 0.0000 C 0 0 6.3103 4.7094 0.0000 C 0 0 7.0197 6.0311 0.0000 C 0 0 6.2298 7.3063 0.0000 C 0 0 4.7306 7.2598 0.0000 C 0 0 4.0212 5.9381 0.0000 C 0 0 6.7973 8.3636 0.0000 F 0 0 6.3029 1.3421 0.0000 C 0 0 6.2923 -0.1596 0.0000 C 0 0 7.5884 -0.9147 0.0000 C 0 0 8.8904 -0.1698 0.0000 N 0 0 8.8963 1.3302 0.0000 C 0 0 7.6002 2.0853 0.0000 C 0 0 -2.6003 -1.4978 0.0000 C 0 0 -2.6024 -2.6978 0.0000 O 0 0 -3.8990 -0.7455 0.0000 N 0 0 -5.2003 -1.4932 0.0000 O 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 25 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 11 2 0 7 8 1 0 8 9 1 0 9 10 2 0 9 19 1 0 10 11 1 0 10 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 15 18 1 0 16 17 1 0 19 24 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 25 26 2 0 25 27 1 0 27 28 1 0 M END > ZINC04617908 > 9 $$$$ SciTegic07110717442D 28 31 0 0 0 0 999 V2000 2.5951 -3.0039 0.0000 C 0 0 2.5973 -1.5031 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.5133 2.9102 0.0000 C 0 0 -0.3349 4.1319 0.0000 C 0 0 0.5867 5.3154 0.0000 N 0 0 1.9970 4.8046 0.0000 C 0 0 1.9471 3.3055 0.0000 N 0 0 3.2399 5.6458 0.0000 C 0 0 3.0156 7.1307 0.0000 C 0 0 4.1911 8.0626 0.0000 C 0 0 5.5858 7.5105 0.0000 C 0 0 5.8051 6.0267 0.0000 C 0 0 4.6297 5.0948 0.0000 C 0 0 6.7638 8.4405 0.0000 S 0 0 6.5904 9.6279 0.0000 O 0 0 8.1585 7.8862 0.0000 C 0 0 -1.8351 4.1730 0.0000 C 0 0 -2.4384 5.5483 0.0000 C 0 0 -3.9299 5.7083 0.0000 C 0 0 -4.8142 4.4967 0.0000 N 0 0 -4.2070 3.1251 0.0000 C 0 0 -2.7156 2.9651 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 13 1 0 9 10 2 0 10 11 1 0 10 23 1 0 11 12 2 0 12 14 1 0 12 13 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 17 20 1 0 18 19 1 0 20 21 2 0 20 22 1 0 23 28 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 M END > ZINC03815758 > 9 $$$$ SciTegic07110717442D 28 31 0 0 0 0 999 V2000 5.1988 -1.5012 0.0000 C 0 0 3.8995 0.7499 0.0000 C 0 0 2.5988 -1.5004 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5987 1.5004 0.0000 C 0 0 -3.9492 0.8772 0.0000 N 0 0 -4.9546 1.9903 0.0000 C 0 0 -4.2067 3.2905 0.0000 C 0 0 -2.7390 2.9810 0.0000 N 0 0 -4.8193 4.6606 0.0000 C 0 0 -3.8459 5.8041 0.0000 C 0 0 -4.3534 7.2156 0.0000 C 0 0 -5.8296 7.4819 0.0000 C 0 0 -6.7982 6.3366 0.0000 C 0 0 -6.2907 4.9251 0.0000 C 0 0 -6.2356 8.6111 0.0000 F 0 0 -6.3024 1.3303 0.0000 C 0 0 -7.4792 2.2632 0.0000 C 0 0 -8.8722 1.7067 0.0000 C 0 0 -9.0868 0.2222 0.0000 N 0 0 -7.9084 -0.7060 0.0000 C 0 0 -6.5154 -0.1495 0.0000 C 0 0 3.8990 -0.7508 0.0000 N 0 3 1 28 1 0 2 28 1 0 3 4 1 0 3 28 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 7 10 1 0 8 9 1 0 10 11 2 0 10 14 1 0 11 12 1 0 12 13 2 0 12 22 1 0 13 14 1 0 13 15 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 18 21 1 0 19 20 1 0 22 27 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 M CHG 1 28 1 M END > ZINC03815709 > 9 $$$$ SciTegic07110717442D 28 31 0 0 0 0 999 V2000 4.2537 0.5858 0.0000 C 0 0 3.9511 -0.8815 0.0000 N 0 0 4.9531 -1.9978 0.0000 C 0 0 4.2010 -3.2956 0.0000 C 0 0 2.7343 -2.9815 0.0000 N 0 0 2.5987 -1.5004 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5973 1.5031 0.0000 S 0 0 -3.6375 0.9049 0.0000 O 0 0 -2.5951 3.0039 0.0000 C 0 0 4.3033 -4.7929 0.0000 C 0 0 5.6996 -5.3456 0.0000 C 0 0 5.9142 -6.8302 0.0000 C 0 0 4.7358 -7.7583 0.0000 C 0 0 3.3429 -7.2018 0.0000 C 0 0 3.1283 -5.7172 0.0000 C 0 0 4.9075 -8.9459 0.0000 F 0 0 6.4458 -1.8433 0.0000 C 0 0 6.9494 -0.4285 0.0000 C 0 0 8.4256 -0.1623 0.0000 C 0 0 9.3943 -1.3076 0.0000 N 0 0 8.8868 -2.7191 0.0000 C 0 0 7.4106 -2.9854 0.0000 C 0 0 1 2 1 0 2 6 1 0 2 3 1 0 3 4 2 0 3 23 1 0 4 5 1 0 4 16 1 0 5 6 2 0 6 7 1 0 7 12 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 10 13 1 0 11 12 1 0 13 14 2 0 13 15 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 19 22 1 0 20 21 1 0 23 28 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 M END > ZINC03815779 > 9 $$$$ SciTegic07110717442D 28 31 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.7770 1.0106 0.0000 C 0 0 3.4109 2.3560 0.0000 C 0 0 4.8966 2.1496 0.0000 N 0 0 5.1595 0.6728 0.0000 C 0 0 3.8362 -0.0335 0.0000 N 0 0 6.5094 0.0171 0.0000 C 0 0 7.6832 0.9537 0.0000 C 0 0 9.0779 0.4017 0.0000 C 0 0 9.2972 -1.0822 0.0000 C 0 0 8.1218 -2.0140 0.0000 C 0 0 6.7271 -1.4620 0.0000 C 0 0 10.6927 -1.6345 0.0000 S 0 0 2 0 0 0 10.8678 -2.8217 0.0000 O 0 0 11.8083 -2.0767 0.0000 O 0 0 11.8694 -0.7029 0.0000 N 0 0 2.6964 3.6758 0.0000 C 0 0 3.5858 4.8859 0.0000 C 0 0 2.9786 6.2575 0.0000 C 0 0 1.4872 6.4175 0.0000 N 0 0 0.6029 5.2059 0.0000 C 0 0 1.2100 3.8343 0.0000 C 0 0 -2.3383 -1.3500 0.0000 F 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 28 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 11 1 0 7 8 2 0 8 9 1 0 8 22 1 0 9 10 2 0 10 12 1 0 10 11 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 18 15 1 1 16 17 1 0 18 19 2 0 18 20 2 0 18 21 1 0 22 27 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 M END > ZINC03815721 > 9 $$$$ SciTegic07110717442D 28 31 0 0 0 0 999 V2000 2.5951 -3.0039 0.0000 C 0 0 2.5973 -1.5031 0.0000 C 0 0 3.6375 -0.9049 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5987 1.5004 0.0000 N 0 0 -3.9492 0.8772 0.0000 C 0 0 -4.1898 -0.2984 0.0000 O 0 0 -4.9546 1.9903 0.0000 C 0 0 -4.2067 3.2905 0.0000 C 0 0 -2.7390 2.9810 0.0000 N 0 0 -4.8193 4.6606 0.0000 C 0 0 -6.3205 4.6976 0.0000 C 0 0 -7.0341 6.0170 0.0000 C 0 0 -6.2483 7.2947 0.0000 N 0 0 -4.7489 7.2530 0.0000 C 0 0 -4.0353 5.9336 0.0000 C 0 0 -6.3024 1.3303 0.0000 C 0 0 -6.2870 -0.1714 0.0000 C 0 0 -7.5807 -0.9306 0.0000 C 0 0 -8.8851 -0.1898 0.0000 C 0 0 -8.8957 1.3102 0.0000 C 0 0 -7.6020 2.0694 0.0000 C 0 0 -9.9200 -0.7971 0.0000 F 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 7 10 1 0 8 9 1 0 10 15 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 2 0 13 22 1 0 14 15 1 0 14 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 22 27 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 25 28 1 0 26 27 1 0 M END > ZINC03832090 > 9 $$$$ SciTegic07110717442D 28 31 0 0 0 0 999 V2000 2.5997 -3.0012 0.0000 C 0 0 2.5988 -1.5004 0.0000 S 0 0 2 0 0 0 3.6378 -0.9001 0.0000 O 0 0 1.5598 -2.1007 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5987 1.5004 0.0000 C 0 0 2.7343 2.9815 0.0000 N 0 0 4.2010 3.2957 0.0000 C 0 0 4.9530 1.9978 0.0000 C 0 0 3.9511 0.8815 0.0000 N 0 0 6.4458 1.8433 0.0000 C 0 0 6.9494 0.4286 0.0000 C 0 0 8.4256 0.1623 0.0000 C 0 0 9.3943 1.3076 0.0000 C 0 0 8.8868 2.7191 0.0000 C 0 0 7.4106 2.9854 0.0000 C 0 0 10.5752 1.0946 0.0000 F 0 0 4.3033 4.7929 0.0000 C 0 0 5.6996 5.3456 0.0000 C 0 0 5.9142 6.8302 0.0000 C 0 0 4.7358 7.7583 0.0000 N 0 0 3.3428 7.2018 0.0000 C 0 0 3.1282 5.7173 0.0000 C 0 0 1 2 1 0 2 3 2 0 2 4 2 0 2 5 1 6 5 10 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 2 0 11 15 1 0 12 13 1 0 13 14 2 0 13 23 1 0 14 15 1 0 14 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 19 22 1 0 20 21 1 0 23 28 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 M END > ZINC03815747 > 9 $$$$ SciTegic07110717442D 28 31 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5988 1.5004 0.0000 C 0 0 3.8990 0.7508 0.0000 N 0 0 5.1988 1.5013 0.0000 C 0 0 6.2384 0.9019 0.0000 O 0 0 -2.5987 -1.5004 0.0000 C 0 0 -2.7343 -2.9815 0.0000 N 0 0 -4.2010 -3.2957 0.0000 C 0 0 -4.9530 -1.9978 0.0000 C 0 0 -3.9511 -0.8815 0.0000 N 0 0 -6.4458 -1.8433 0.0000 C 0 0 -6.9494 -0.4286 0.0000 C 0 0 -8.4256 -0.1623 0.0000 C 0 0 -9.3943 -1.3076 0.0000 C 0 0 -8.8868 -2.7191 0.0000 C 0 0 -7.4106 -2.9854 0.0000 C 0 0 -10.5752 -1.0946 0.0000 F 0 0 -4.3033 -4.7929 0.0000 C 0 0 -5.6996 -5.3456 0.0000 C 0 0 -5.9142 -6.8302 0.0000 C 0 0 -4.7358 -7.7583 0.0000 N 0 0 -3.3428 -7.2018 0.0000 C 0 0 -3.1283 -5.7173 0.0000 C 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 11 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 11 12 2 0 11 15 1 0 12 13 1 0 13 14 2 0 13 23 1 0 14 15 1 0 14 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 19 22 1 0 20 21 1 0 23 28 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 M END > ZINC03815727 > 9 $$$$ SciTegic07110717442D 28 31 0 0 0 0 999 V2000 3.8990 -0.7508 0.0000 C 0 0 2.5988 -1.5004 0.0000 S 0 0 2 0 0 0 2.5984 -2.7004 0.0000 O 0 0 2.5992 -0.3004 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 3.0008 0.0000 C 0 0 -1.2149 3.8587 0.0000 N 0 0 -0.7536 5.2860 0.0000 C 0 0 0.7463 5.2884 0.0000 C 0 0 1.2121 3.8625 0.0000 N 0 0 1.6265 6.5039 0.0000 C 0 0 3.1036 6.2327 0.0000 C 0 0 4.0722 7.3780 0.0000 C 0 0 3.5647 8.7895 0.0000 C 0 0 2.0885 9.0558 0.0000 C 0 0 1.1199 7.9105 0.0000 C 0 0 4.3397 9.7057 0.0000 F 0 0 -1.9992 6.1232 0.0000 C 0 0 -1.7796 7.6088 0.0000 C 0 0 -2.9580 8.5369 0.0000 C 0 0 -4.3510 7.9805 0.0000 N 0 0 -4.5656 6.4959 0.0000 C 0 0 -3.3872 5.5678 0.0000 C 0 0 1 2 1 0 2 3 2 0 2 4 2 0 2 5 1 1 5 10 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 9 11 1 0 11 12 2 0 11 15 1 0 12 13 1 0 13 14 2 0 13 23 1 0 14 15 1 0 14 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 19 22 1 0 20 21 1 0 23 28 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 M END > ZINC03815746 > 9 $$$$ SciTegic07110717442D 29 32 0 0 0 0 999 V2000 3.8933 -3.7570 0.0000 C 0 0 2.5951 -3.0039 0.0000 S 0 0 1 0 0 0 1.5548 -3.6021 0.0000 O 0 0 3.6354 -2.4057 0.0000 O 0 0 2.5973 -1.5031 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5987 1.5004 0.0000 C 0 0 -3.9492 0.8772 0.0000 N 0 0 -4.9546 1.9903 0.0000 C 0 0 -4.2067 3.2905 0.0000 C 0 0 -2.7390 2.9810 0.0000 N 0 0 -4.8193 4.6606 0.0000 C 0 0 -3.8459 5.8041 0.0000 C 0 0 -4.3534 7.2156 0.0000 C 0 0 -5.8296 7.4819 0.0000 C 0 0 -6.7982 6.3366 0.0000 C 0 0 -6.2907 4.9251 0.0000 C 0 0 -6.2356 8.6111 0.0000 F 0 0 -6.3024 1.3303 0.0000 C 0 0 -7.4792 2.2632 0.0000 C 0 0 -8.8722 1.7067 0.0000 C 0 0 -9.0868 0.2222 0.0000 N 0 0 -7.9084 -0.7060 0.0000 C 0 0 -6.5154 -0.1495 0.0000 C 0 0 1 2 1 0 2 3 2 0 2 4 2 0 2 5 1 6 5 6 1 0 6 11 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 9 12 1 0 10 11 1 0 12 13 2 0 12 16 1 0 13 14 1 0 14 15 2 0 14 24 1 0 15 16 1 0 15 17 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 20 23 1 0 21 22 1 0 24 29 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 M END > ZINC03815710 > 9 $$$$ SciTegic07110717442D 30 33 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5988 1.5004 0.0000 C 0 0 3.8990 0.7508 0.0000 C 0 0 5.1988 1.5013 0.0000 N 0 0 6.4990 0.7517 0.0000 C 0 0 7.5386 0.1524 0.0000 N 0 0 3.9026 -0.7500 0.0000 N 0 0 -2.5987 -1.5004 0.0000 C 0 0 -3.9511 -0.8815 0.0000 N 0 0 -4.9530 -1.9978 0.0000 C 0 0 -4.2010 -3.2957 0.0000 C 0 0 -2.7343 -2.9815 0.0000 N 0 0 -4.8092 -4.6676 0.0000 C 0 0 -6.3104 -4.7094 0.0000 C 0 0 -7.0197 -6.0311 0.0000 C 0 0 -6.2299 -7.3063 0.0000 C 0 0 -4.7306 -7.2598 0.0000 C 0 0 -4.0212 -5.9381 0.0000 C 0 0 -6.7974 -8.3636 0.0000 F 0 0 -6.3029 -1.3421 0.0000 C 0 0 -6.2923 0.1596 0.0000 C 0 0 -7.5884 0.9147 0.0000 C 0 0 -8.8904 0.1698 0.0000 N 0 0 -8.8963 -1.3302 0.0000 C 0 0 -7.6002 -2.0853 0.0000 C 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 13 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 12 1 0 9 10 1 0 10 11 3 0 13 17 2 0 13 14 1 0 14 15 1 0 15 16 2 0 15 25 1 0 16 17 1 0 16 18 1 0 18 23 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 21 24 1 0 22 23 1 0 25 30 2 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 29 30 1 0 M END > ZINC04617917 > 9 $$$$ SciTegic07110717442D 30 33 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5988 1.5004 0.0000 C 0 0 3.8990 0.7508 0.0000 N 0 0 5.1988 1.5013 0.0000 C 0 0 5.1984 2.7013 0.0000 O 0 0 6.4990 0.7517 0.0000 N 0 0 3.9026 -0.7500 0.0000 O 0 0 -2.5987 -1.5004 0.0000 C 0 0 -2.7343 -2.9815 0.0000 N 0 0 -4.2010 -3.2957 0.0000 C 0 0 -4.9530 -1.9978 0.0000 C 0 0 -3.9511 -0.8815 0.0000 N 0 0 -6.4458 -1.8433 0.0000 C 0 0 -6.9494 -0.4286 0.0000 C 0 0 -8.4256 -0.1623 0.0000 C 0 0 -9.3943 -1.3076 0.0000 C 0 0 -8.8868 -2.7191 0.0000 C 0 0 -7.4106 -2.9854 0.0000 C 0 0 -10.5752 -1.0946 0.0000 F 0 0 -4.3033 -4.7929 0.0000 C 0 0 -5.6996 -5.3456 0.0000 C 0 0 -5.9142 -6.8302 0.0000 C 0 0 -4.7358 -7.7583 0.0000 N 0 0 -3.3428 -7.2018 0.0000 C 0 0 -3.1283 -5.7173 0.0000 C 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 13 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 8 12 1 0 9 10 2 0 9 11 1 0 13 14 2 0 13 17 1 0 14 15 1 0 15 16 2 0 15 25 1 0 16 17 1 0 16 18 1 0 18 23 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 21 24 1 0 22 23 1 0 25 30 2 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 29 30 1 0 M END > ZINC03815615 > 9 $$$$ SciTegic07110717442D 30 33 0 0 0 0 999 V2000 6.4990 -0.7516 0.0000 C 0 0 5.1988 -1.5012 0.0000 S 0 0 2 0 0 0 5.1984 -2.7012 0.0000 O 0 0 5.1992 -0.3012 0.0000 O 0 0 3.8990 -0.7508 0.0000 N 0 0 2.5988 -1.5004 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5987 1.5004 0.0000 C 0 0 -3.9492 0.8772 0.0000 N 0 0 -4.9546 1.9903 0.0000 C 0 0 -4.2067 3.2905 0.0000 C 0 0 -2.7390 2.9810 0.0000 N 0 0 -4.8193 4.6606 0.0000 C 0 0 -3.8459 5.8041 0.0000 C 0 0 -4.3534 7.2156 0.0000 C 0 0 -5.8296 7.4819 0.0000 C 0 0 -6.7982 6.3366 0.0000 C 0 0 -6.2907 4.9251 0.0000 C 0 0 -6.2356 8.6111 0.0000 F 0 0 -6.3024 1.3303 0.0000 C 0 0 -7.4792 2.2632 0.0000 C 0 0 -8.8722 1.7067 0.0000 C 0 0 -9.0868 0.2222 0.0000 N 0 0 -7.9084 -0.7060 0.0000 C 0 0 -6.5154 -0.1495 0.0000 C 0 0 1 2 1 0 2 3 2 0 2 4 2 0 2 5 1 1 5 6 1 0 6 7 1 0 7 12 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 10 13 1 0 11 12 1 0 13 14 2 0 13 17 1 0 14 15 1 0 15 16 2 0 15 25 1 0 16 17 1 0 16 18 1 0 18 23 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 21 24 1 0 22 23 1 0 25 30 2 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 29 30 1 0 M END > ZINC03815772 > 9 $$$$ SciTegic07110717442D 31 34 0 0 0 0 999 V2000 2.5983 -3.0012 0.0000 C 0 0 2.5988 -1.5004 0.0000 C 0 0 1 0 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5987 1.5004 0.0000 C 0 0 -2.7390 2.9810 0.0000 N 0 0 -4.2067 3.2905 0.0000 C 0 0 -4.9546 1.9903 0.0000 C 0 0 -3.9492 0.8772 0.0000 N 0 0 -6.4469 1.8311 0.0000 C 0 0 -7.2337 3.1102 0.0000 C 0 0 -8.7329 3.0637 0.0000 C 0 0 -9.4423 1.7421 0.0000 C 0 0 -8.6524 0.4669 0.0000 C 0 0 -7.1532 0.5134 0.0000 C 0 0 -10.6418 1.7049 0.0000 F 0 0 -4.3138 4.7875 0.0000 C 0 0 -3.0079 5.5291 0.0000 C 0 0 -3.0021 7.0291 0.0000 C 0 0 -4.2982 7.7842 0.0000 N 0 0 -5.6001 7.0393 0.0000 C 0 0 -5.6060 5.5393 0.0000 C 0 0 3.8990 -0.7508 0.0000 N 0 0 5.1988 -1.5012 0.0000 C 0 0 5.1984 -2.7012 0.0000 O 0 0 6.4990 -0.7516 0.0000 N 0 0 3.9026 0.7500 0.0000 O 0 0 2 1 1 1 2 3 1 0 2 27 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 6 9 1 0 7 8 1 0 9 13 2 0 9 10 1 0 10 11 1 0 11 12 2 0 11 21 1 0 12 13 1 0 12 14 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 17 20 1 0 18 19 1 0 21 26 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 27 28 1 0 27 31 1 0 28 29 2 0 28 30 1 0 M END > ZINC04617913 > 9 $$$$ SciTegic07110717442D 31 34 0 0 0 0 999 V2000 5.1873 -7.5117 0.0000 C 0 0 6.4904 -5.2628 0.0000 C 0 0 3.8912 -5.2578 0.0000 C 0 0 3.8933 -3.7570 0.0000 C 0 0 2.5951 -3.0039 0.0000 C 0 0 2.5973 -1.5031 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5987 1.5004 0.0000 C 0 0 -3.9492 0.8772 0.0000 N 0 0 -4.9546 1.9903 0.0000 C 0 0 -4.2067 3.2905 0.0000 C 0 0 -2.7390 2.9810 0.0000 N 0 0 -4.8193 4.6606 0.0000 C 0 0 -3.8459 5.8041 0.0000 C 0 0 -4.3534 7.2156 0.0000 C 0 0 -5.8296 7.4819 0.0000 C 0 0 -6.7982 6.3366 0.0000 C 0 0 -6.2907 4.9251 0.0000 C 0 0 -6.2356 8.6111 0.0000 F 0 0 -6.3024 1.3303 0.0000 C 0 0 -7.4792 2.2632 0.0000 C 0 0 -8.8722 1.7067 0.0000 C 0 0 -9.0868 0.2222 0.0000 N 0 0 -7.9084 -0.7060 0.0000 C 0 0 -6.5154 -0.1495 0.0000 C 0 0 5.1894 -6.0109 0.0000 N 0 3 1 31 1 0 2 31 1 0 3 4 1 0 3 31 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 12 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 10 13 1 0 11 12 1 0 13 14 2 0 13 17 1 0 14 15 1 0 15 16 2 0 15 25 1 0 16 17 1 0 16 18 1 0 18 23 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 21 24 1 0 22 23 1 0 25 30 2 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 29 30 1 0 M CHG 1 31 1 M END > ZINC03815761 > 9 $$$$ SciTegic07110717442D 31 34 0 0 0 0 999 V2000 2.5983 -3.0012 0.0000 C 0 0 2.5988 -1.5004 0.0000 C 0 0 2 0 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5987 1.5004 0.0000 C 0 0 -3.9492 0.8772 0.0000 N 0 0 -4.9546 1.9903 0.0000 C 0 0 -4.2067 3.2905 0.0000 C 0 0 -2.7390 2.9810 0.0000 N 0 0 -4.8193 4.6606 0.0000 C 0 0 -3.8459 5.8041 0.0000 C 0 0 -4.3534 7.2156 0.0000 C 0 0 -5.8296 7.4819 0.0000 C 0 0 -6.7982 6.3366 0.0000 C 0 0 -6.2907 4.9251 0.0000 C 0 0 -6.2356 8.6111 0.0000 F 0 0 -6.3024 1.3303 0.0000 C 0 0 -7.4792 2.2632 0.0000 C 0 0 -8.8722 1.7067 0.0000 C 0 0 -9.0868 0.2222 0.0000 N 0 0 -7.9084 -0.7060 0.0000 C 0 0 -6.5154 -0.1495 0.0000 C 0 0 3.8990 -0.7508 0.0000 N 0 0 5.1988 -1.5012 0.0000 C 0 0 5.1984 -2.7012 0.0000 O 0 0 6.4990 -0.7516 0.0000 N 0 0 3.9026 0.7500 0.0000 O 0 0 2 1 1 6 2 3 1 0 2 27 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 6 9 1 0 7 8 1 0 9 10 2 0 9 13 1 0 10 11 1 0 11 12 2 0 11 21 1 0 12 13 1 0 12 14 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 17 20 1 0 18 19 1 0 21 26 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 27 28 1 0 27 31 1 0 28 29 2 0 28 30 1 0 M END > ZINC03815617 > 9 $$$$ SciTegic07110717442D 23 26 0 0 0 0 999 V2000 4.9234 1.2700 0.0000 C 0 0 6.4199 1.1671 0.0000 C 0 0 7.0791 -0.1803 0.0000 C 0 0 3 0 0 0 6.2418 -1.4248 0.0000 C 0 0 4.7453 -1.3220 0.0000 C 0 0 4.0896 0.0290 0.0000 C 0 0 2 0 0 0 2.6831 -0.4944 0.0000 C 0 0 1.4555 0.3199 0.0000 C 0 0 0.2750 -0.5948 0.0000 C 0 0 3 0 0 0 -1.2033 -0.3180 0.0000 C 0 0 -2.1749 -1.4865 0.0000 C 0 0 -1.6636 -2.8913 0.0000 C 0 0 3 0 0 0 0.7864 -1.9996 0.0000 C 0 0 3 0 0 0 2.2786 -1.9416 0.0000 N 0 0 -2.6336 -4.0366 0.0000 N 0 0 1.4003 1.8196 0.0000 C 0 0 2 0 0 0 2.7270 2.5227 0.0000 C 0 0 2.7770 4.0219 0.0000 C 0 0 1.5037 4.8148 0.0000 N 0 0 0.1804 4.1085 0.0000 C 0 0 0.1304 2.6093 0.0000 C 0 0 8.2762 -0.2625 0.0000 F 0 0 -0.1681 -3.1619 0.0000 N 0 0 1 6 1 0 1 2 1 0 2 3 1 0 3 4 1 0 3 22 1 4 4 5 1 0 5 6 1 0 6 7 1 6 7 14 1 0 7 8 2 0 9 8 1 4 16 8 1 1 9 13 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 15 1 4 12 23 1 0 13 14 1 4 13 23 1 0 16 21 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 M END > ZINC03832074 > 10 $$$$ SciTegic07110717442D 23 26 0 0 0 0 999 V2000 3.2964 5.4106 0.0000 C 0 0 1.8114 5.1995 0.0000 C 0 0 1.2517 3.8078 0.0000 C 0 0 2.1749 2.6315 0.0000 C 0 0 1 0 0 0 3.6621 2.8384 0.0000 C 0 0 4.2218 4.2301 0.0000 C 0 0 2.2301 1.1317 0.0000 C 0 0 3.4746 0.3063 0.0000 C 0 0 3 0 0 0 4.9285 0.6911 0.0000 C 0 0 5.9834 -0.4029 0.0000 C 0 0 5.5767 -1.8415 0.0000 C 0 0 3 0 0 0 3.0679 -1.1323 0.0000 C 0 0 2 0 0 0 1.5754 -1.1841 0.0000 N 0 0 1.0656 0.2294 0.0000 C 0 0 -0.3756 0.6480 0.0000 C 0 0 3 0 0 0 -0.6196 2.1297 0.0000 C 0 0 -2.0249 2.6543 0.0000 C 0 0 -3.1818 1.6996 0.0000 C 0 0 -2.9334 0.2203 0.0000 C 0 0 1 0 0 0 -1.5281 -0.3043 0.0000 C 0 0 -3.8590 -0.5435 0.0000 I 0 0 6.6283 -2.9123 0.0000 N 0 0 4.1052 -2.2213 0.0000 N 0 0 1 6 1 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 4 7 1 1 5 6 1 0 7 14 2 0 8 7 1 4 8 12 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 22 1 4 11 23 1 0 12 13 1 1 12 23 1 0 13 14 1 0 15 14 1 4 15 20 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 19 21 1 1 M END > ZINC03833977 > 10 $$$$ SciTegic07110717442D 23 26 0 0 0 0 999 V2000 3.2964 5.4106 0.0000 C 0 0 1.8114 5.1995 0.0000 C 0 0 1.2517 3.8078 0.0000 C 0 0 2.1749 2.6315 0.0000 C 0 0 1 0 0 0 3.6621 2.8384 0.0000 C 0 0 4.2218 4.2301 0.0000 C 0 0 2.2301 1.1317 0.0000 C 0 0 3.4746 0.3063 0.0000 C 0 0 3 0 0 0 4.9285 0.6911 0.0000 C 0 0 5.9834 -0.4029 0.0000 C 0 0 5.5767 -1.8415 0.0000 C 0 0 3 0 0 0 3.0679 -1.1323 0.0000 C 0 0 3 0 0 0 1.5754 -1.1841 0.0000 N 0 0 1.0656 0.2294 0.0000 C 0 0 -0.3756 0.6480 0.0000 C 0 0 2 0 0 0 -0.6196 2.1297 0.0000 C 0 0 -2.0249 2.6543 0.0000 C 0 0 -3.1818 1.6996 0.0000 C 0 0 3 0 0 0 -2.9334 0.2203 0.0000 C 0 0 -1.5281 -0.3043 0.0000 C 0 0 -4.3060 2.1192 0.0000 F 0 0 6.6283 -2.9123 0.0000 N 0 0 4.1052 -2.2213 0.0000 N 0 0 1 6 1 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 4 7 1 1 5 6 1 0 7 14 2 0 8 7 1 4 8 12 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 22 1 4 11 23 1 0 12 13 1 4 12 23 1 0 13 14 1 0 15 14 1 1 15 20 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 18 21 1 4 19 20 1 0 M END > ZINC03833975 > 10 $$$$ SciTegic07110717442D 23 26 0 0 0 0 999 V2000 3.2964 5.4106 0.0000 C 0 0 1.8114 5.1995 0.0000 C 0 0 1.2517 3.8078 0.0000 C 0 0 2.1749 2.6315 0.0000 C 0 0 1 0 0 0 3.6621 2.8384 0.0000 C 0 0 4.2218 4.2301 0.0000 C 0 0 2.2301 1.1317 0.0000 C 0 0 3.4746 0.3063 0.0000 C 0 0 3 0 0 0 4.9285 0.6911 0.0000 C 0 0 5.9834 -0.4029 0.0000 C 0 0 5.5767 -1.8415 0.0000 C 0 0 3 0 0 0 3.0679 -1.1323 0.0000 C 0 0 2 0 0 0 1.5754 -1.1841 0.0000 N 0 0 1.0656 0.2294 0.0000 C 0 0 -0.3756 0.6480 0.0000 C 0 0 3 0 0 0 -0.6196 2.1297 0.0000 C 0 0 -2.0249 2.6543 0.0000 C 0 0 -3.1818 1.6996 0.0000 C 0 0 -2.9334 0.2203 0.0000 C 0 0 1 0 0 0 -1.5281 -0.3043 0.0000 C 0 0 -3.8590 -0.5435 0.0000 Cl 0 0 6.6283 -2.9123 0.0000 N 0 0 4.1052 -2.2213 0.0000 N 0 0 1 6 1 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 4 7 1 1 5 6 1 0 7 14 2 0 8 7 1 4 8 12 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 22 1 4 11 23 1 0 12 13 1 1 12 23 1 0 13 14 1 0 15 14 1 4 15 20 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 19 21 1 1 M END > ZINC03833969 > 10 $$$$ SciTegic07110717442D 24 27 0 0 0 0 999 V2000 3.2964 5.4106 0.0000 C 0 0 1.8114 5.1995 0.0000 C 0 0 1.2517 3.8078 0.0000 C 0 0 2.1749 2.6315 0.0000 C 0 0 1 0 0 0 3.6621 2.8384 0.0000 C 0 0 4.2218 4.2301 0.0000 C 0 0 2.2301 1.1317 0.0000 C 0 0 3.4746 0.3063 0.0000 C 0 0 3 0 0 0 4.9285 0.6911 0.0000 C 0 0 5.9834 -0.4029 0.0000 C 0 0 5.5767 -1.8415 0.0000 C 0 0 3 0 0 0 3.0679 -1.1323 0.0000 C 0 0 2 0 0 0 1.5754 -1.1841 0.0000 N 0 0 1.0656 0.2294 0.0000 C 0 0 -0.3756 0.6480 0.0000 C 0 0 3 0 0 0 -0.6196 2.1297 0.0000 C 0 0 -2.0249 2.6543 0.0000 C 0 0 -3.1818 1.6996 0.0000 C 0 0 3 0 0 0 -2.9334 0.2203 0.0000 C 0 0 3 0 0 0 -1.5281 -0.3043 0.0000 C 0 0 -3.8590 -0.5435 0.0000 F 0 0 -4.3060 2.1192 0.0000 F 0 0 6.6283 -2.9123 0.0000 N 0 0 4.1052 -2.2213 0.0000 N 0 0 1 6 1 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 4 7 1 1 5 6 1 0 7 14 2 0 8 7 1 4 8 12 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 23 1 4 11 24 1 0 12 13 1 1 12 24 1 0 13 14 1 0 15 14 1 4 15 20 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 18 22 1 4 19 20 1 0 19 21 1 4 M END > ZINC03833971 > 10 $$$$ SciTegic07110717442D 25 28 0 0 0 0 999 V2000 -2.2935 3.7700 0.0000 C 0 0 -0.9971 3.0138 0.0000 O 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 N 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 4.0896 0.0290 0.0000 C 0 0 4.7275 1.3885 0.0000 C 0 0 6.2225 1.5110 0.0000 C 0 0 7.0761 0.2776 0.0000 C 0 0 6.4347 -1.0783 0.0000 C 0 0 4.9397 -1.2009 0.0000 C 0 0 8.2720 0.3756 0.0000 F 0 0 1.6586 2.7030 0.0000 C 0 0 0.2832 3.3056 0.0000 C 0 0 0.1219 4.7969 0.0000 C 0 0 1.3328 5.6822 0.0000 N 0 0 2.7050 5.0762 0.0000 C 0 0 2.8662 3.5849 0.0000 C 0 0 -3.6187 -1.4919 0.0000 N 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 5 25 1 0 6 7 2 0 7 11 1 0 7 8 1 0 8 9 1 0 9 10 2 0 9 19 1 0 10 11 1 0 10 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 15 18 1 0 16 17 1 0 19 24 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 M END > ZINC00007453 > 10 $$$$ SciTegic07110717442D 25 28 0 0 0 0 999 V2000 -2.2935 3.7700 0.0000 C 0 0 -0.9971 3.0138 0.0000 O 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 N 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 4.0896 0.0290 0.0000 C 0 0 4.7275 1.3885 0.0000 C 0 0 6.2225 1.5110 0.0000 C 0 0 7.0761 0.2776 0.0000 C 0 0 6.4347 -1.0783 0.0000 C 0 0 4.9397 -1.2009 0.0000 C 0 0 8.2720 0.3756 0.0000 F 0 0 1.6586 2.7030 0.0000 C 0 0 0.2832 3.3056 0.0000 C 0 0 0.1219 4.7969 0.0000 C 0 0 1.3328 5.6822 0.0000 C 0 0 2.7050 5.0762 0.0000 C 0 0 2.8662 3.5849 0.0000 C 0 0 -3.6187 -1.4919 0.0000 N 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 5 25 1 0 6 7 2 0 7 11 1 0 7 8 1 0 8 9 1 0 9 10 2 0 9 19 1 0 10 11 1 0 10 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 15 18 1 0 16 17 1 0 19 24 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 M END > ZINC03815685 > 10 $$$$ SciTegic07110717442D 25 28 0 0 0 0 999 V2000 -3.6267 2.9927 0.0000 C 0 0 -3.6187 1.4919 0.0000 N 0 0 -4.9131 0.7323 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 3 0 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 3 0 0 0 1.7138 -1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 0.2917 0.7475 0.0000 C 0 0 3 0 0 0 4.0896 0.0290 0.0000 C 0 0 2 0 0 0 4.7453 -1.3220 0.0000 C 0 0 6.2418 -1.4248 0.0000 C 0 0 7.0791 -0.1803 0.0000 C 0 0 3 0 0 0 6.4199 1.1671 0.0000 C 0 0 4.9234 1.2700 0.0000 C 0 0 8.2762 -0.2625 0.0000 F 0 0 1.6694 -2.7034 0.0000 C 0 0 2 0 0 0 0.2951 -3.3087 0.0000 C 0 0 0.1370 -4.8003 0.0000 C 0 0 1.3498 -5.6830 0.0000 C 0 0 2.7206 -5.0741 0.0000 C 0 0 2.8787 -3.5824 0.0000 C 0 0 -1.0028 1.5132 0.0000 N 0 0 1 2 1 0 2 3 1 0 4 2 1 4 4 5 1 0 4 25 1 0 5 6 1 0 7 6 1 4 7 11 1 0 7 8 1 0 8 9 2 0 19 8 1 1 9 10 1 0 12 9 1 1 11 10 1 4 11 25 1 0 12 17 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 15 18 1 4 16 17 1 0 19 24 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 M END > ZINC03834009 > 10 $$$$ SciTegic07110717442D 26 29 0 0 0 0 999 V2000 -4.9300 3.7369 0.0000 C 0 0 -3.6267 2.9927 0.0000 C 0 0 -2.5905 3.5979 0.0000 O 0 0 -3.6187 1.4919 0.0000 N 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 N 0 0 4.0896 0.0290 0.0000 C 0 0 4.7453 -1.3220 0.0000 C 0 0 6.2418 -1.4248 0.0000 C 0 0 7.0791 -0.1803 0.0000 C 0 0 6.4199 1.1671 0.0000 C 0 0 4.9234 1.2700 0.0000 C 0 0 8.2762 -0.2625 0.0000 F 0 0 1.6694 -2.7034 0.0000 C 0 0 0.2951 -3.3087 0.0000 C 0 0 0.1370 -4.8003 0.0000 C 0 0 1.3498 -5.6830 0.0000 C 0 0 2.7206 -5.0741 0.0000 C 0 0 2.8787 -3.5824 0.0000 C 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 13 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 12 2 0 8 9 1 0 9 10 2 0 9 21 1 0 10 11 1 0 10 14 1 0 11 12 1 0 12 13 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 17 20 1 0 18 19 1 0 21 26 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 M END > ZINC03832102 > 10 $$$$ SciTegic07110717442D 26 29 0 0 0 0 999 V2000 10.9100 0.8666 0.0000 C 0 0 9.4125 0.9664 0.0000 C 0 0 8.5766 -0.2801 0.0000 O 0 0 7.0791 -0.1803 0.0000 C 0 0 3 0 0 0 6.4199 1.1671 0.0000 C 0 0 4.9234 1.2700 0.0000 C 0 0 4.0896 0.0290 0.0000 C 0 0 2 0 0 0 4.7453 -1.3220 0.0000 C 0 0 6.2418 -1.4248 0.0000 C 0 0 3 0 0 0 6.7691 -2.5027 0.0000 Cl 0 0 2.6831 -0.4944 0.0000 C 0 0 1.4555 0.3199 0.0000 C 0 0 0.2750 -0.5948 0.0000 C 0 0 1 0 0 0 -1.2033 -0.3180 0.0000 C 0 0 -2.1749 -1.4865 0.0000 C 0 0 -1.6636 -2.8913 0.0000 C 0 0 3 0 0 0 0.7864 -1.9996 0.0000 C 0 0 1 0 0 0 2.2786 -1.9416 0.0000 N 0 0 -2.6336 -4.0366 0.0000 N 0 0 1.4003 1.8196 0.0000 C 0 0 2 0 0 0 2.7270 2.5227 0.0000 C 0 0 2.7770 4.0219 0.0000 C 0 0 1.5037 4.8148 0.0000 C 0 0 0.1804 4.1085 0.0000 C 0 0 0.1304 2.6093 0.0000 C 0 0 -0.1681 -3.1619 0.0000 N 0 0 1 2 1 0 2 3 1 0 4 3 1 4 4 9 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 11 1 6 8 9 1 0 9 10 1 4 11 18 1 0 11 12 2 0 13 12 1 6 20 12 1 1 13 17 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 19 1 4 16 26 1 0 17 18 1 1 17 26 1 0 20 25 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 M END > ZINC03833984 > 10 $$$$ SciTegic07110717442D 23 26 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.7770 1.0106 0.0000 C 0 0 3.4109 2.3560 0.0000 C 0 0 4.8966 2.1496 0.0000 N 0 0 5.1595 0.6728 0.0000 C 0 0 3.8362 -0.0335 0.0000 N 0 0 6.5087 0.0205 0.0000 C 0 0 1 0 0 0 5.5215 -1.0216 0.0000 C 0 0 6.6567 -2.0019 0.0000 C 0 0 7.6371 -0.8667 0.0000 C 0 0 7.7503 0.8636 0.0000 O 0 0 2.6964 3.6758 0.0000 C 0 0 3.5858 4.8859 0.0000 C 0 0 2.9786 6.2575 0.0000 C 0 0 1.4872 6.4175 0.0000 N 0 0 0.6029 5.2059 0.0000 C 0 0 1.2100 3.8343 0.0000 C 0 0 -2.3383 -1.3500 0.0000 F 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 23 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 11 1 0 7 8 2 0 8 9 1 0 8 17 1 0 9 10 2 0 10 12 1 0 10 11 1 0 12 15 1 0 12 13 1 0 12 16 1 1 13 14 1 0 14 15 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 M END > ZINC03815738 > 11 $$$$ SciTegic07110717442D 25 28 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.7770 1.0106 0.0000 C 0 0 3.8362 -0.0335 0.0000 C 0 0 5.1595 0.6728 0.0000 N 0 0 4.8966 2.1496 0.0000 C 0 0 3.4109 2.3560 0.0000 N 0 0 6.5072 0.0183 0.0000 C 0 0 2 0 0 0 6.3671 1.4913 0.0000 C 0 0 7.6101 2.3309 0.0000 C 0 0 9.0644 0.1780 0.0000 C 0 0 7.8214 -0.6617 0.0000 C 0 0 3.6208 -1.5187 0.0000 C 0 0 2.2805 -2.1803 0.0000 C 0 0 2.1838 -3.6772 0.0000 C 0 0 3.4318 -4.5093 0.0000 N 0 0 4.7765 -3.8446 0.0000 C 0 0 4.8731 -2.3477 0.0000 N 0 0 6.0269 -4.6746 0.0000 N 0 0 -2.3383 -1.3500 0.0000 F 0 0 8.9588 1.6742 0.0000 N 0 3 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 24 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 11 1 0 7 8 2 0 8 9 1 0 8 17 1 0 9 10 1 0 12 9 1 6 10 11 2 0 12 16 1 0 12 13 1 0 13 14 1 0 14 25 1 0 15 16 1 0 15 25 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 21 23 1 0 M CHG 1 25 1 M END > ZINC03815692 > 12 $$$$ SciTegic07110717442D 27 30 0 0 0 0 999 V2000 3.8990 -0.7562 0.0000 C 0 0 2.5973 -1.5031 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 N 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 N 0 0 0.0000 3.0008 0.0000 C 0 0 1.2149 3.8587 0.0000 C 0 0 0.7536 5.2860 0.0000 N 0 0 -0.7464 5.2884 0.0000 C 0 0 -1.2122 3.8625 0.0000 N 0 0 -2.6342 3.3910 0.0000 C 0 0 2 0 0 0 -2.3016 4.8328 0.0000 C 0 0 -3.4233 5.8286 0.0000 C 0 0 -4.8466 5.3552 0.0000 C 0 0 1 0 0 0 -5.1482 3.8858 0.0000 C 0 0 -4.0265 2.8899 0.0000 C 0 0 -4.5133 6.7976 0.0000 O 0 0 2.6386 3.3842 0.0000 C 0 0 3.6760 4.4702 0.0000 C 0 0 5.1322 4.1105 0.0000 C 0 0 5.5487 2.6695 0.0000 C 0 0 4.5091 1.5882 0.0000 C 0 0 3.0529 1.9480 0.0000 C 0 0 6.7137 2.3817 0.0000 F 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 13 1 0 9 10 2 0 10 11 1 0 10 21 1 0 11 12 2 0 12 13 1 0 14 13 1 1 14 19 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 17 20 1 1 18 19 1 0 21 26 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 24 27 1 0 25 26 1 0 M END > ZINC00602269 > 12 $$$$ SciTegic07110717442D 27 30 0 0 0 0 999 V2000 2.5951 -3.0039 0.0000 C 0 0 2.5973 -1.5031 0.0000 S 0 0 3.6375 -0.9049 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.2637 1.8997 0.0000 N 0 0 3.7458 1.7760 0.0000 C 0 0 4.3099 3.1658 0.0000 N 0 0 3.1624 4.1318 0.0000 C 0 0 1.8891 3.3390 0.0000 C 0 0 0.4951 3.8951 0.0000 C 0 0 0.4033 5.3941 0.0000 C 0 0 -0.9413 6.0588 0.0000 C 0 0 -2.1893 5.2267 0.0000 N 0 0 -2.0927 3.7298 0.0000 C 0 0 -0.7480 3.0651 0.0000 C 0 0 3.7750 5.5019 0.0000 C 0 0 5.2762 5.5389 0.0000 C 0 0 5.9898 6.8583 0.0000 C 0 0 5.2040 8.1360 0.0000 C 0 0 3.7045 8.0942 0.0000 C 0 0 2.9910 6.7749 0.0000 C 0 0 5.7748 9.1915 0.0000 F 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 14 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 13 21 1 0 14 15 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 21 26 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 24 27 1 0 25 26 1 0 M END > ZINC03815782 > 12 $$$$ SciTegic07110717442D 27 30 0 0 0 0 999 V2000 2.5951 -3.0039 0.0000 C 0 0 2.5973 -1.5031 0.0000 S 0 0 3.6375 -0.9049 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.5133 2.9102 0.0000 N 0 0 -0.3349 4.1319 0.0000 C 0 0 0.5867 5.3154 0.0000 N 0 0 1.9970 4.8046 0.0000 C 0 0 1.9471 3.3055 0.0000 C 0 0 3.1257 2.3764 0.0000 C 0 0 4.4697 3.0464 0.0000 C 0 0 5.7177 2.2143 0.0000 C 0 0 5.6211 0.7174 0.0000 N 0 0 4.2764 0.0526 0.0000 C 0 0 3.0284 0.8848 0.0000 C 0 0 2.8772 6.0202 0.0000 C 0 0 2.1586 7.3388 0.0000 C 0 0 2.9445 8.6165 0.0000 C 0 0 4.4439 8.5748 0.0000 C 0 0 5.1575 7.2554 0.0000 C 0 0 4.3717 5.9777 0.0000 C 0 0 5.0726 9.5969 0.0000 F 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 14 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 13 21 1 0 14 15 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 21 26 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 24 27 1 0 25 26 1 0 M END > ZINC03815774 > 12 $$$$ SciTegic07110717442D 27 30 0 0 0 0 999 V2000 2.5951 -3.0039 0.0000 C 0 0 2.5973 -1.5031 0.0000 S 0 0 3.6375 -0.9049 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.2637 1.8996 0.0000 N 0 0 -3.7458 1.7759 0.0000 C 0 0 -4.3099 3.1658 0.0000 N 0 0 -3.1624 4.1318 0.0000 C 0 0 -1.8891 3.3390 0.0000 C 0 0 -0.4952 3.8951 0.0000 C 0 0 -0.4034 5.3941 0.0000 C 0 0 0.9413 6.0588 0.0000 C 0 0 2.1893 5.2267 0.0000 N 0 0 2.0926 3.7298 0.0000 C 0 0 0.7480 3.0651 0.0000 C 0 0 -3.7750 5.5018 0.0000 C 0 0 -5.2763 5.5389 0.0000 C 0 0 -5.9899 6.8582 0.0000 C 0 0 -5.2040 8.1359 0.0000 C 0 0 -3.7046 8.0942 0.0000 C 0 0 -2.9910 6.7748 0.0000 C 0 0 -5.7749 9.1914 0.0000 F 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 7 10 1 0 8 9 1 0 10 14 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 13 21 1 0 14 15 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 21 26 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 24 27 1 0 25 26 1 0 M END > ZINC03815784 > 12 $$$$ SciTegic07110717442D 26 29 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.7770 1.0106 0.0000 C 0 0 3.4152 2.3540 0.0000 C 0 0 4.9002 2.1429 0.0000 N 0 0 5.1584 0.6653 0.0000 C 0 0 3.8328 -0.0368 0.0000 N 0 0 5.9427 3.2190 0.0000 C 0 0 7.3986 2.8545 0.0000 C 0 0 8.4429 3.9325 0.0000 C 0 0 8.9565 2.4482 0.0000 C 0 0 9.7939 1.2037 0.0000 C 0 0 11.2363 1.6156 0.0000 C 0 0 11.2903 3.1146 0.0000 C 0 0 2.7048 3.6760 0.0000 C 0 0 3.5981 4.8833 0.0000 C 0 0 2.9953 6.2569 0.0000 C 0 0 1.5043 6.4216 0.0000 N 0 0 0.6162 5.2128 0.0000 C 0 0 1.2190 3.8392 0.0000 C 0 0 -2.3383 -1.3500 0.0000 F 0 0 9.8988 3.5680 0.0000 N 0 3 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 25 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 11 1 0 7 8 2 0 8 9 1 0 8 19 1 0 9 10 1 0 9 12 1 0 10 11 2 0 12 13 1 0 13 14 1 0 14 26 1 0 15 16 1 0 15 26 1 0 16 17 1 0 17 18 1 0 18 26 1 0 19 24 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 M CHG 1 26 1 M END > ZINC03810104 > 13 $$$$ SciTegic07110717442D 26 29 0 0 0 0 999 V2000 4.6505 9.6126 0.0000 C 0 0 3.9421 10.9348 0.0000 C 0 0 2.4428 10.9824 0.0000 C 0 0 1.6520 9.7078 0.0000 C 0 0 2.3604 8.3856 0.0000 C 0 0 3.8596 8.3380 0.0000 C 0 0 4.0732 6.8525 0.0000 C 0 0 5.3957 6.1720 0.0000 C 0 0 5.1376 4.6944 0.0000 N 0 0 3.6525 4.4833 0.0000 C 0 0 2.9928 5.8304 0.0000 N 0 0 6.4852 4.0398 0.0000 C 0 0 6.5932 2.5428 0.0000 C 0 0 7.0463 0.7103 0.0000 C 0 0 7.6583 -0.6591 0.0000 C 0 0 9.1503 -0.8138 0.0000 O 0 0 10.0303 0.4010 0.0000 C 0 0 9.4182 1.7705 0.0000 C 0 0 6.7396 6.8401 0.0000 C 0 0 7.9179 5.9090 0.0000 C 0 0 9.3099 6.4679 0.0000 C 0 0 9.5219 7.9528 0.0000 N 0 0 8.3418 8.8789 0.0000 C 0 0 6.9499 8.3200 0.0000 C 0 0 1.8761 12.0401 0.0000 F 0 0 7.9432 1.8871 0.0000 N 0 3 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 25 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 11 1 0 7 8 2 0 8 9 1 0 8 19 1 0 9 10 1 0 9 12 1 0 10 11 2 0 12 13 1 0 13 26 1 0 14 15 1 0 14 26 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 26 1 0 19 24 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 M CHG 1 26 1 M END > ZINC03815785 > 14 $$$$ SciTegic07110717442D 27 30 0 0 0 0 999 V2000 4.8865 -3.2886 0.0000 C 0 0 4.0941 -4.5622 0.0000 C 0 0 4.8008 -5.8853 0.0000 C 0 0 6.3000 -5.9348 0.0000 C 0 0 7.0925 -4.6612 0.0000 C 0 0 6.3857 -3.3381 0.0000 C 0 0 7.1786 -2.0639 0.0000 C 0 0 8.6631 -1.9726 0.0000 C 0 0 9.0209 -0.5159 0.0000 N 0 0 7.7460 0.2746 0.0000 C 0 0 6.6003 -0.6936 0.0000 N 0 0 10.4080 0.0502 0.0000 C 0 0 10.6127 1.5370 0.0000 C 0 0 12.0022 2.1041 0.0000 C 0 0 13.6038 3.1033 0.0000 C 0 0 14.7158 4.1100 0.0000 C 0 0 14.4000 5.5763 0.0000 O 0 0 12.9721 6.0360 0.0000 C 0 0 11.8601 5.0293 0.0000 C 0 0 9.6249 -3.1246 0.0000 C 0 0 11.1132 -2.9854 0.0000 C 0 0 11.9801 -4.2096 0.0000 C 0 0 11.3534 -5.5724 0.0000 N 0 0 9.8598 -5.7111 0.0000 C 0 0 8.9929 -4.4870 0.0000 N 0 0 4.1669 -6.9041 0.0000 F 0 0 12.2069 3.5909 0.0000 N 0 3 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 26 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 11 1 0 7 8 2 0 8 9 1 0 8 20 1 0 9 10 1 0 9 12 1 0 10 11 2 0 12 13 1 0 13 14 1 0 14 27 1 0 15 16 1 0 15 27 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 27 1 0 20 25 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 M CHG 1 27 1 M END > ZINC03815745 > 15 $$$$ SciTegic07110717442D 27 30 0 0 0 0 999 V2000 10.7047 -7.1474 0.0000 C 0 0 10.9163 -8.6324 0.0000 C 0 0 12.3081 -9.1917 0.0000 C 0 0 13.4884 -8.2659 0.0000 C 0 0 13.2768 -6.7809 0.0000 C 0 0 11.8849 -6.2217 0.0000 C 0 0 12.1942 -4.7531 0.0000 C 0 0 11.1856 -3.6601 0.0000 C 0 0 11.9352 -2.3608 0.0000 N 0 0 13.4025 -2.6722 0.0000 C 0 0 13.5598 -4.1639 0.0000 N 0 0 11.8302 -0.8662 0.0000 C 0 0 13.0736 -0.0258 0.0000 C 0 0 12.9684 1.4713 0.0000 C 0 0 13.1572 3.3495 0.0000 C 0 0 13.5691 4.7919 0.0000 C 0 0 15.0241 5.1564 0.0000 O 0 0 16.0673 4.0785 0.0000 C 0 0 15.6555 2.6362 0.0000 C 0 0 9.6941 -3.8263 0.0000 C 0 0 8.9068 -2.5473 0.0000 C 0 0 7.4076 -2.5945 0.0000 C 0 0 6.6988 -3.9166 0.0000 N 0 0 7.4894 -5.1913 0.0000 C 0 0 8.9886 -5.1441 0.0000 C 0 0 12.4774 -10.3797 0.0000 F 0 0 14.2119 2.3118 0.0000 N 0 3 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 26 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 11 1 0 7 8 2 0 8 9 1 0 8 20 1 0 9 10 1 0 9 12 1 0 10 11 2 0 12 13 1 0 13 14 1 0 14 27 1 0 15 16 1 0 15 27 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 27 1 0 20 25 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 M CHG 1 27 1 M END > ZINC03810097 > 15 $$$$ SciTegic07110717442D 27 30 0 0 0 0 999 V2000 -13.7630 7.7024 0.0000 C 0 0 -13.5514 6.2174 0.0000 C 0 0 -12.1595 5.6581 0.0000 C 0 0 -10.9793 6.5838 0.0000 C 0 0 -11.1909 8.0688 0.0000 C 0 0 -12.5827 8.6281 0.0000 C 0 0 -10.2466 8.8094 0.0000 Cl 0 0 -12.4688 4.1896 0.0000 C 0 0 -11.4602 3.0965 0.0000 C 0 0 -12.2098 1.7972 0.0000 N 0 0 -13.6771 2.1086 0.0000 C 0 0 -13.8343 3.6004 0.0000 N 0 0 -11.5999 0.4287 0.0000 C 0 0 -12.4809 -0.7863 0.0000 C 0 0 -11.8701 -2.1572 0.0000 C 0 0 -11.4051 -3.9867 0.0000 C 0 0 -11.2988 -5.4829 0.0000 C 0 0 -12.5414 -6.3231 0.0000 O 0 0 -13.8903 -5.6670 0.0000 C 0 0 -13.9966 -4.1708 0.0000 C 0 0 -9.9687 3.2627 0.0000 C 0 0 -9.1814 1.9838 0.0000 C 0 0 -7.6822 2.0310 0.0000 C 0 0 -6.9734 3.3530 0.0000 N 0 0 -7.7640 4.6278 0.0000 C 0 0 -9.2632 4.5806 0.0000 C 0 0 -12.7511 -3.3722 0.0000 N 0 3 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 12 1 0 8 9 2 0 9 10 1 0 9 21 1 0 10 11 1 0 10 13 1 0 11 12 2 0 13 14 1 0 14 15 1 0 15 27 1 0 16 17 1 0 16 27 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 27 1 0 21 26 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 M CHG 1 27 1 M END > ZINC03815744 > 15 $$$$ SciTegic07110717442D 28 31 0 0 0 0 999 V2000 11.0506 -5.4946 0.0000 C 0 0 11.2622 -6.9796 0.0000 C 0 0 12.6541 -7.5389 0.0000 C 0 0 13.8343 -6.6131 0.0000 C 0 0 13.6227 -5.1281 0.0000 C 0 0 12.2309 -4.5689 0.0000 C 0 0 12.5401 -3.1003 0.0000 C 0 0 11.5315 -2.0073 0.0000 C 0 0 12.2811 -0.7080 0.0000 N 0 0 13.7484 -1.0194 0.0000 C 0 0 13.9057 -2.5111 0.0000 N 0 0 12.1761 0.7865 0.0000 C 0 0 13.4196 1.6270 0.0000 C 0 0 13.3144 3.1241 0.0000 C 0 0 13.5032 5.0023 0.0000 C 0 0 13.9150 6.4447 0.0000 C 0 0 15.3701 6.8092 0.0000 O 0 0 16.4133 5.7313 0.0000 C 0 0 16.0014 4.2890 0.0000 C 0 0 10.0400 -2.1735 0.0000 C 0 0 9.0618 -1.0433 0.0000 C 0 0 7.5889 -1.3273 0.0000 C 0 0 7.0984 -2.7448 0.0000 N 0 0 8.0808 -3.8784 0.0000 C 0 0 9.5536 -3.5944 0.0000 N 0 0 7.5929 -5.2977 0.0000 N 0 0 12.8233 -8.7269 0.0000 F 0 0 14.5578 3.9645 0.0000 N 0 3 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 27 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 11 1 0 7 8 2 0 8 9 1 0 8 20 1 0 9 10 1 0 9 12 1 0 10 11 2 0 12 13 1 0 13 14 1 0 14 28 1 0 15 16 1 0 15 28 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 28 1 0 20 25 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 24 26 1 0 M CHG 1 28 1 M END > ZINC03815769 > 15 $$$$ SciTegic07110717442D 28 31 0 0 0 0 999 V2000 14.1914 3.6142 0.0000 C 0 0 12.7980 4.1718 0.0000 S 0 0 12.5833 5.6572 0.0000 C 0 0 13.7635 6.5829 0.0000 C 0 0 13.5519 8.0679 0.0000 C 0 0 12.1601 8.6272 0.0000 C 0 0 10.9798 7.7014 0.0000 C 0 0 11.1914 6.2164 0.0000 C 0 0 9.8626 8.7035 0.0000 C 0 0 8.4117 8.3766 0.0000 C 0 0 7.6613 9.6754 0.0000 N 0 0 8.6647 10.7904 0.0000 C 0 0 10.0352 10.1807 0.0000 N 0 0 6.1712 9.8315 0.0000 C 0 0 5.5595 11.2020 0.0000 C 0 0 4.0668 11.3584 0.0000 C 0 0 2.2500 11.8705 0.0000 C 0 0 0.9010 12.5265 0.0000 C 0 0 0.7947 14.0227 0.0000 O 0 0 2.0373 14.8629 0.0000 C 0 0 3.3863 14.2069 0.0000 C 0 0 7.8099 7.0018 0.0000 C 0 0 6.3087 6.9595 0.0000 C 0 0 5.6000 5.6375 0.0000 C 0 0 6.3905 4.3627 0.0000 N 0 0 7.8897 4.4099 0.0000 C 0 0 8.5985 5.7319 0.0000 C 0 0 3.4551 12.7289 0.0000 N 0 3 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 13 1 0 9 10 2 0 10 11 1 0 10 22 1 0 11 12 1 0 11 14 1 0 12 13 2 0 14 15 1 0 15 16 1 0 16 28 1 0 17 18 1 0 17 28 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 28 1 0 22 27 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 M CHG 1 28 1 M END > ZINC03815751 > 15 $$$$ SciTegic07110717442D 28 31 0 0 0 0 999 V2000 10.7047 -7.1474 0.0000 C 0 0 10.9163 -8.6324 0.0000 C 0 0 12.3081 -9.1917 0.0000 C 0 0 13.4884 -8.2659 0.0000 C 0 0 13.2768 -6.7809 0.0000 C 0 0 11.8849 -6.2217 0.0000 C 0 0 12.1942 -4.7531 0.0000 C 0 0 11.1856 -3.6601 0.0000 C 0 0 11.9352 -2.3608 0.0000 N 0 0 13.4025 -2.6722 0.0000 C 0 0 13.5598 -4.1639 0.0000 N 0 0 11.8302 -0.8662 0.0000 C 0 0 13.0736 -0.0258 0.0000 C 0 0 12.9684 1.4713 0.0000 C 0 0 13.1572 3.3495 0.0000 C 0 0 13.5691 4.7919 0.0000 C 0 0 15.0241 5.1564 0.0000 O 0 0 16.0673 4.0785 0.0000 C 0 0 15.6555 2.6362 0.0000 C 0 0 9.6941 -3.8263 0.0000 C 0 0 8.9068 -2.5473 0.0000 C 0 0 7.4076 -2.5945 0.0000 C 0 0 6.6988 -3.9166 0.0000 N 0 0 7.4894 -5.1913 0.0000 C 0 0 8.9886 -5.1441 0.0000 C 0 0 14.6018 -8.7133 0.0000 Cl 0 0 12.4774 -10.3797 0.0000 Cl 0 0 14.2119 2.3118 0.0000 N 0 3 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 27 1 0 4 5 2 0 4 26 1 0 5 6 1 0 6 7 1 0 7 11 1 0 7 8 2 0 8 9 1 0 8 20 1 0 9 10 1 0 9 12 1 0 10 11 2 0 12 13 1 0 13 14 1 0 14 28 1 0 15 16 1 0 15 28 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 28 1 0 20 25 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 M CHG 1 28 1 M END > ZINC03815754 > 15 $$$$ SciTegic07110717442D 29 32 0 0 0 0 999 V2000 4.3510 4.0558 0.0000 C 0 0 3.0979 3.2298 0.0000 O 0 0 3.1857 1.7315 0.0000 C 0 0 1.9311 0.9094 0.0000 N 0 0 2.0158 -0.5882 0.0000 C 0 0 3.3551 -1.2637 0.0000 C 0 0 4.6097 -0.4415 0.0000 C 0 0 4.5250 1.0561 0.0000 N 0 0 5.9497 -1.1173 0.0000 C 0 0 7.2628 -0.4189 0.0000 C 0 0 8.3295 -1.4734 0.0000 N 0 0 7.6562 -2.8138 0.0000 C 0 0 6.1733 -2.5877 0.0000 N 0 0 5.5376 -3.9442 0.0000 C 0 0 6.7648 -4.8082 0.0000 C 0 0 6.6312 -6.3030 0.0000 C 0 0 6.7842 -8.1845 0.0000 C 0 0 7.1686 -9.6344 0.0000 C 0 0 8.6164 -10.0265 0.0000 O 0 0 9.6799 -8.9687 0.0000 C 0 0 9.2956 -7.5188 0.0000 C 0 0 7.4803 1.0660 0.0000 C 0 0 8.9171 1.5032 0.0000 C 0 0 9.2516 2.9654 0.0000 C 0 0 8.1525 3.9862 0.0000 C 0 0 6.7190 3.5448 0.0000 C 0 0 6.3844 2.0826 0.0000 C 0 0 8.4202 5.1560 0.0000 F 0 0 7.8584 -7.1670 0.0000 N 0 3 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 13 1 0 9 10 2 0 10 11 1 0 10 22 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 29 1 0 17 18 1 0 17 29 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 29 1 0 22 27 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 25 28 1 0 26 27 1 0 M CHG 1 29 1 M END > ZINC03815753 > 15 $$$$ SciTegic07110717442D 30 33 0 0 0 0 999 V2000 -13.7630 7.7024 0.0000 C 0 0 -13.5514 6.2174 0.0000 C 0 0 -12.1595 5.6581 0.0000 C 0 0 -10.9793 6.5838 0.0000 C 0 0 -11.1909 8.0688 0.0000 C 0 0 -12.5827 8.6281 0.0000 C 0 0 -10.0099 8.9951 0.0000 C 0 0 1 0 0 0 -8.8962 8.5484 0.0000 F 0 0 -10.1796 10.1830 0.0000 F 0 0 -9.0661 9.7361 0.0000 F 0 0 -12.4688 4.1896 0.0000 C 0 0 -11.4602 3.0965 0.0000 C 0 0 -12.2098 1.7972 0.0000 N 0 0 -13.6771 2.1086 0.0000 C 0 0 -13.8343 3.6004 0.0000 N 0 0 -11.5999 0.4287 0.0000 C 0 0 -12.4809 -0.7863 0.0000 C 0 0 -11.8701 -2.1572 0.0000 C 0 0 -11.4051 -3.9867 0.0000 C 0 0 -11.2988 -5.4829 0.0000 C 0 0 -12.5414 -6.3231 0.0000 O 0 0 -13.8903 -5.6670 0.0000 C 0 0 -13.9966 -4.1708 0.0000 C 0 0 -9.9687 3.2627 0.0000 C 0 0 -9.1814 1.9838 0.0000 C 0 0 -7.6822 2.0310 0.0000 C 0 0 -6.9734 3.3530 0.0000 N 0 0 -7.7640 4.6278 0.0000 C 0 0 -9.2632 4.5806 0.0000 C 0 0 -12.7511 -3.3722 0.0000 N 0 3 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 11 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 8 1 6 7 9 1 0 7 10 1 0 11 15 1 0 11 12 2 0 12 13 1 0 12 24 1 0 13 14 1 0 13 16 1 0 14 15 2 0 16 17 1 0 17 18 1 0 18 30 1 0 19 20 1 0 19 30 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 30 1 0 24 29 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 M CHG 1 30 1 M END > ZINC03815764 > 15 $$$$ SciTegic07110717442D 31 34 0 0 0 0 999 V2000 4.2631 5.5541 0.0000 C 0 0 4.3510 4.0558 0.0000 C 0 0 5.4237 3.5180 0.0000 O 0 0 3.0979 3.2298 0.0000 N 0 0 3.1857 1.7315 0.0000 C 0 0 1.9311 0.9094 0.0000 N 0 0 2.0158 -0.5882 0.0000 C 0 0 3.3551 -1.2637 0.0000 C 0 0 4.6097 -0.4415 0.0000 C 0 0 4.5250 1.0561 0.0000 N 0 0 5.9497 -1.1173 0.0000 C 0 0 7.2628 -0.4189 0.0000 C 0 0 8.3295 -1.4734 0.0000 N 0 0 7.6562 -2.8138 0.0000 C 0 0 6.1733 -2.5877 0.0000 N 0 0 5.5376 -3.9442 0.0000 C 0 0 6.7648 -4.8082 0.0000 C 0 0 6.6312 -6.3030 0.0000 C 0 0 6.7842 -8.1845 0.0000 C 0 0 7.1686 -9.6344 0.0000 C 0 0 8.6164 -10.0265 0.0000 O 0 0 9.6799 -8.9687 0.0000 C 0 0 9.2956 -7.5188 0.0000 C 0 0 7.4803 1.0660 0.0000 C 0 0 8.9171 1.5032 0.0000 C 0 0 9.2516 2.9654 0.0000 C 0 0 8.1525 3.9862 0.0000 C 0 0 6.7190 3.5448 0.0000 C 0 0 6.3844 2.0826 0.0000 C 0 0 8.4202 5.1560 0.0000 F 0 0 7.8584 -7.1670 0.0000 N 0 3 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 10 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 9 11 1 0 11 15 1 0 11 12 2 0 12 13 1 0 12 24 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 31 1 0 19 20 1 0 19 31 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 31 1 0 24 29 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 27 30 1 0 28 29 1 0 M CHG 1 31 1 M END > ZINC03815765 > 15 $$$$ SciTegic07110717442D 28 31 0 0 0 0 999 V2000 5.5663 12.8258 0.0000 C 0 0 4.8579 14.1480 0.0000 C 0 0 3.3587 14.1956 0.0000 C 0 0 2.5678 12.9210 0.0000 C 0 0 3.2762 11.5988 0.0000 C 0 0 4.7755 11.5512 0.0000 C 0 0 4.9891 10.0658 0.0000 C 0 0 6.3115 9.3853 0.0000 C 0 0 6.0534 7.9076 0.0000 N 0 0 4.5683 7.6965 0.0000 C 0 0 3.9086 9.0437 0.0000 N 0 0 7.4011 7.2530 0.0000 C 0 0 7.5091 5.7561 0.0000 C 0 0 8.8591 5.1003 0.0000 C 0 0 8.9671 3.6034 0.0000 C 0 0 9.4201 1.7709 0.0000 C 0 0 10.0322 0.4014 0.0000 C 0 0 11.5242 0.2468 0.0000 O 0 0 12.4041 1.4615 0.0000 C 0 0 11.7921 2.8310 0.0000 C 0 0 7.6554 10.0533 0.0000 C 0 0 8.8338 9.1222 0.0000 C 0 0 10.2258 9.6811 0.0000 C 0 0 10.4377 11.1661 0.0000 N 0 0 9.2577 12.0921 0.0000 C 0 0 7.8657 11.5332 0.0000 C 0 0 2.7919 15.2533 0.0000 F 0 0 10.3171 2.9476 0.0000 N 0 3 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 27 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 11 1 0 7 8 2 0 8 9 1 0 8 21 1 0 9 10 1 0 9 12 1 0 10 11 2 0 12 13 1 0 13 14 1 0 14 15 1 0 15 28 1 0 16 17 1 0 16 28 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 28 1 0 21 26 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 M CHG 1 28 1 M END > ZINC03815768 > 16 $$$$ SciTegic07110717442D 28 31 0 0 0 0 999 V2000 3.9006 3.7348 0.0000 C 0 0 3.9068 5.2348 0.0000 C 0 0 2.6109 5.9901 0.0000 C 0 0 1.3087 5.2455 0.0000 C 0 0 1.3026 3.7455 0.0000 C 0 0 2.5985 2.9901 0.0000 C 0 0 0.0105 5.9986 0.0000 O 0 0 -1.2912 5.2516 0.0000 C 0 0 -2.5894 6.0047 0.0000 C 0 0 -3.8912 5.2578 0.0000 C 0 0 -5.1894 6.0109 0.0000 N 0 0 -5.3242 7.4920 0.0000 C 0 0 -6.7907 7.8069 0.0000 N 0 0 -7.5434 6.5094 0.0000 C 0 0 -6.5420 5.3926 0.0000 C 0 0 -6.8483 3.9234 0.0000 C 0 0 -8.3088 3.5734 0.0000 C 0 0 -8.7305 2.1339 0.0000 C 0 0 -7.6948 1.0489 0.0000 N 0 0 -6.2373 1.4034 0.0000 C 0 0 -5.8155 2.8428 0.0000 C 0 0 -8.9988 6.8754 0.0000 C 0 0 -9.2953 8.3476 0.0000 C 0 0 -10.7183 8.8219 0.0000 C 0 0 -11.8406 7.8266 0.0000 C 0 0 -11.5398 6.3571 0.0000 C 0 0 -10.1168 5.8828 0.0000 C 0 0 -12.9790 8.2061 0.0000 F 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 15 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 14 22 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 22 27 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 25 28 1 0 26 27 1 0 M END > ZINC03815713 > 16 $$$$ SciTegic07110717442D 29 32 0 0 0 0 999 V2000 3.9006 3.7348 0.0000 C 0 0 3.9068 5.2348 0.0000 C 0 0 2.6109 5.9901 0.0000 C 0 0 1.3087 5.2455 0.0000 C 0 0 1.3026 3.7455 0.0000 C 0 0 2.5985 2.9901 0.0000 C 0 0 0.0105 5.9986 0.0000 S 0 0 0.0134 7.1986 0.0000 O 0 0 -1.2912 5.2516 0.0000 C 0 0 -2.5894 6.0047 0.0000 C 0 0 -3.8912 5.2578 0.0000 C 0 0 -5.1894 6.0109 0.0000 N 0 0 -5.3242 7.4920 0.0000 C 0 0 -6.7907 7.8069 0.0000 N 0 0 -7.5434 6.5094 0.0000 C 0 0 -6.5420 5.3926 0.0000 C 0 0 -6.8483 3.9234 0.0000 C 0 0 -8.3088 3.5734 0.0000 C 0 0 -8.7305 2.1339 0.0000 C 0 0 -7.6948 1.0489 0.0000 N 0 0 -6.2373 1.4034 0.0000 C 0 0 -5.8155 2.8428 0.0000 C 0 0 -8.9988 6.8754 0.0000 C 0 0 -9.2953 8.3476 0.0000 C 0 0 -10.7183 8.8219 0.0000 C 0 0 -11.8406 7.8266 0.0000 C 0 0 -11.5398 6.3571 0.0000 C 0 0 -10.1168 5.8828 0.0000 C 0 0 -12.9790 8.2061 0.0000 F 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 16 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 15 23 1 0 16 17 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 23 28 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 26 29 1 0 27 28 1 0 M END > ZINC03815778 > 16 $$$$ SciTegic07110717442D 29 32 0 0 0 0 999 V2000 -5.1888 10.5037 0.0000 C 0 0 -6.4888 9.7553 0.0000 C 0 0 -6.4907 8.2553 0.0000 C 0 0 -5.1926 7.5037 0.0000 C 0 0 -3.8926 8.2520 0.0000 C 0 0 -3.8907 9.7520 0.0000 C 0 0 -5.1945 6.0029 0.0000 C 0 0 -6.4966 3.7524 0.0000 C 0 0 -7.7969 3.0029 0.0000 C 0 0 -7.7988 1.5020 0.0000 C 0 0 -9.0990 0.7524 0.0000 N 0 0 -10.4499 1.3744 0.0000 C 0 0 -11.4543 0.2603 0.0000 N 0 0 -10.7051 -1.0392 0.0000 C 0 0 -9.2377 -0.7283 0.0000 C 0 0 -8.1171 -1.7265 0.0000 C 0 0 -8.5421 -3.1669 0.0000 C 0 0 -7.5049 -4.2505 0.0000 C 0 0 -6.0479 -3.8940 0.0000 N 0 0 -5.6281 -2.4539 0.0000 C 0 0 -6.6654 -1.3703 0.0000 C 0 0 -11.7483 -2.1181 0.0000 C 0 0 -13.1722 -1.6408 0.0000 C 0 0 -14.2930 -2.6376 0.0000 C 0 0 -13.9902 -4.1068 0.0000 C 0 0 -12.5664 -4.5790 0.0000 C 0 0 -11.4456 -3.5822 0.0000 C 0 0 -14.8868 -4.9042 0.0000 F 0 0 -6.4947 5.2533 0.0000 N 0 3 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 29 1 0 8 9 1 0 8 29 1 0 9 10 1 0 10 11 1 0 11 15 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 14 22 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 22 27 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 25 28 1 0 26 27 1 0 M CHG 1 29 1 M END > ZINC03810102 > 17 $$$$ SciTegic07110717442D 30 33 0 0 0 0 999 V2000 8.5270 2.0052 0.0000 C 0 0 5.9811 2.5290 0.0000 C 0 0 5.6780 1.0591 0.0000 C 0 0 4.2537 0.5858 0.0000 C 0 0 3.9511 -0.8815 0.0000 N 0 0 4.9531 -1.9978 0.0000 C 0 0 4.2010 -3.2956 0.0000 N 0 0 2.7343 -2.9815 0.0000 C 0 0 2.5987 -1.5004 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 N 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.0198 -4.3012 0.0000 C 0 0 2.9092 -5.5113 0.0000 C 0 0 2.3020 -6.8830 0.0000 C 0 0 0.8106 -7.0430 0.0000 C 0 0 -0.0737 -5.8314 0.0000 C 0 0 0.5334 -4.4597 0.0000 C 0 0 0.3249 -8.1403 0.0000 F 0 0 7.7086 4.4721 0.0000 C 0 0 9.1328 4.9454 0.0000 C 0 0 9.4349 6.4147 0.0000 C 0 0 10.8584 6.8877 0.0000 C 0 0 11.9797 5.8915 0.0000 C 0 0 11.6777 4.4222 0.0000 C 0 0 10.2542 3.9492 0.0000 C 0 0 7.4054 3.0023 0.0000 N 0 3 1 30 1 0 2 3 1 0 2 30 1 0 3 4 1 0 4 5 1 0 5 9 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 8 16 1 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 19 22 1 0 20 21 1 0 23 24 1 0 23 30 1 0 24 29 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 M CHG 1 30 1 M END > ZINC03810103 > 17 $$$$ SciTegic07110717442D 30 34 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5987 1.5004 0.0000 C 0 0 3.9511 0.8815 0.0000 N 0 0 4.9530 1.9978 0.0000 C 0 0 4.2010 3.2957 0.0000 C 0 0 2.7343 2.9815 0.0000 N 0 0 4.8092 4.6676 0.0000 C 0 0 6.3103 4.7094 0.0000 C 0 0 7.0197 6.0311 0.0000 C 0 0 6.2298 7.3063 0.0000 C 0 0 4.7306 7.2598 0.0000 C 0 0 4.0212 5.9381 0.0000 C 0 0 6.7973 8.3636 0.0000 F 0 0 6.3029 1.3421 0.0000 C 0 0 6.2923 -0.1596 0.0000 C 0 0 7.5884 -0.9147 0.0000 C 0 0 8.8904 -0.1698 0.0000 N 0 0 8.8963 1.3302 0.0000 C 0 0 7.6002 2.0853 0.0000 C 0 0 -2.5987 -1.5004 0.0000 C 0 0 -3.9511 -0.8815 0.0000 N 0 0 -4.9530 -1.9978 0.0000 C 0 0 -6.1467 -1.8743 0.0000 O 0 0 -4.2010 -3.2957 0.0000 O 0 0 -2.7343 -2.9815 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 25 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 11 2 0 7 8 1 0 8 9 1 0 9 10 2 0 9 19 1 0 10 11 1 0 10 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 15 18 1 0 16 17 1 0 19 24 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 25 30 2 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 29 30 1 0 M END > ZINC04617903 > 18 $$$$ SciTegic07110717442D 31 35 0 0 0 0 999 V2000 -4.4676 6.1312 0.0000 C 0 0 -5.4332 4.9834 0.0000 C 0 0 -4.9220 3.5732 0.0000 C 0 0 -3.4451 3.3109 0.0000 C 0 0 -2.4795 4.4587 0.0000 C 0 0 -2.9907 5.8689 0.0000 C 0 0 -2.9336 1.8999 0.0000 C 0 0 -2.6003 0.0419 0.0000 C 0 0 -2.6010 -1.4581 0.0000 C 0 0 -3.9004 -2.2075 0.0000 C 0 0 1 0 0 0 -5.1991 -1.4569 0.0000 C 0 0 -5.1984 0.0431 0.0000 C 0 0 -2.9229 -3.3191 0.0000 N 0 0 -1.4439 -3.1634 0.0000 C 0 0 -0.8500 -4.5408 0.0000 N 0 0 -1.9764 -5.5314 0.0000 C 0 0 -3.2665 -4.7661 0.0000 C 0 0 -4.6482 -5.3521 0.0000 C 0 0 -4.7076 -6.8528 0.0000 C 0 0 -6.0377 -7.5463 0.0000 C 0 0 -7.3033 -6.7412 0.0000 N 0 0 -7.2389 -5.2426 0.0000 C 0 0 -5.9089 -4.5491 0.0000 C 0 0 -1.3345 -6.8879 0.0000 C 0 0 0.1673 -6.8925 0.0000 C 0 0 0.9091 -8.1962 0.0000 C 0 0 0.1510 -9.4906 0.0000 C 0 0 -1.3490 -9.4812 0.0000 C 0 0 -2.0908 -8.1774 0.0000 C 0 0 0.7444 -10.5335 0.0000 F 0 0 -3.8990 0.7508 0.0000 N 0 3 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 31 1 0 8 9 1 0 8 31 1 0 9 10 1 0 10 11 1 0 10 13 1 6 11 12 1 0 12 31 1 0 13 17 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 16 24 1 0 17 18 1 0 18 23 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 24 29 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 27 30 1 0 28 29 1 0 M CHG 1 31 1 M END > ZINC03815762 > 19 $$$$ SciTegic07110717442D 31 35 0 0 0 0 999 V2000 5.1011 -0.0821 0.0000 C 0 0 6.5780 -0.3444 0.0000 C 0 0 7.5436 0.8035 0.0000 C 0 0 7.0324 2.2137 0.0000 C 0 0 5.5555 2.4760 0.0000 C 0 0 4.5898 1.3281 0.0000 C 0 0 3.1122 1.5906 0.0000 C 0 0 1.3364 2.2310 0.0000 C 0 0 0.0377 2.9816 0.0000 C 0 0 0.0384 4.4816 0.0000 O 0 0 1.3378 5.2310 0.0000 C 0 0 2.6365 4.4804 0.0000 C 0 0 9.0212 0.5410 0.0000 C 0 0 10.0817 1.5838 0.0000 N 0 0 11.4041 0.8758 0.0000 C 0 0 11.1395 -0.6007 0.0000 C 0 0 9.6535 -0.8052 0.0000 N 0 0 12.1789 -1.6832 0.0000 C 0 0 13.6044 -1.2108 0.0000 C 0 0 14.7218 -2.2115 0.0000 C 0 0 14.4138 -3.6796 0.0000 C 0 0 12.9885 -4.1469 0.0000 C 0 0 11.8711 -3.1462 0.0000 C 0 0 15.3077 -4.4802 0.0000 F 0 0 12.4497 1.9524 0.0000 C 0 0 11.9279 3.3605 0.0000 C 0 0 12.8890 4.5121 0.0000 C 0 0 14.3669 4.2556 0.0000 N 0 0 14.8837 2.8474 0.0000 C 0 0 13.9226 1.6958 0.0000 C 0 0 2.5997 3.0013 0.0000 N 0 3 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 13 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 31 1 0 8 9 1 0 8 31 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 31 1 0 13 17 2 0 13 14 1 0 14 15 1 0 15 16 2 0 15 25 1 0 16 17 1 0 16 18 1 0 18 23 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 21 24 1 0 22 23 1 0 25 30 2 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 29 30 1 0 M CHG 1 31 1 M END > ZINC03794499 > 20 $$$$