SciTegic07110717482D 19 21 0 0 0 0 999 V2000 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 4.0896 0.0290 0.0000 C 0 0 4.7453 -1.3220 0.0000 N 0 0 6.2418 -1.4248 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 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 C 0 0 0.2917 -0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 -3.7952 0.9982 0.0000 C 0 0 1 0 0 0 4.2595 2.6160 0.0000 O 0 0 -4.7530 -0.1572 0.0000 N 0 3 -2.8208 2.1778 0.0000 N 0 3 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 17 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 15 2 0 7 8 1 0 8 9 1 0 9 14 2 0 9 10 1 0 10 11 2 0 11 12 1 0 11 16 1 0 12 13 2 0 13 14 1 0 14 15 1 0 16 18 1 1 16 19 1 0 M CHG 2 18 1 19 1 M END > ZINC04617939 > 1 $$$$ SciTegic07110717482D 19 21 0 0 0 0 999 V2000 6.2418 -1.4248 0.0000 C 0 0 7.0791 -0.1803 0.0000 C 0 0 6.4199 1.1671 0.0000 C 0 0 4.9234 1.2700 0.0000 C 0 0 4.0896 0.0290 0.0000 C 0 0 4.7453 -1.3220 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 -3.7952 -0.9982 0.0000 C 0 0 1 0 0 0 4.2595 2.6160 0.0000 O 0 0 -4.7528 0.1574 0.0000 N 0 3 -2.8210 -2.1780 0.0000 N 0 3 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 17 1 0 5 6 1 0 5 7 1 0 7 15 2 0 7 8 1 0 8 9 1 0 9 14 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 12 16 1 0 13 14 1 0 14 15 1 0 16 18 1 6 16 19 1 0 M CHG 2 18 1 19 1 M END > ZINC04617938 > 1 $$$$ SciTegic07110717482D 19 21 0 0 0 0 999 V2000 6.4199 1.1671 0.0000 C 0 0 4.9234 1.2700 0.0000 C 0 0 4.0896 0.0290 0.0000 C 0 0 4.7453 -1.3220 0.0000 C 0 0 6.2418 -1.4248 0.0000 N 0 0 7.0791 -0.1803 0.0000 C 0 0 4.0739 -2.3166 0.0000 O 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 -3.7952 0.9982 0.0000 C 0 0 1 0 0 0 -4.7530 -0.1572 0.0000 N 0 3 -2.8208 2.1778 0.0000 N 0 3 1 2 1 0 1 6 2 0 2 3 2 0 3 8 1 0 3 4 1 0 4 5 1 0 4 7 2 0 5 6 1 0 8 16 2 0 8 9 1 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 12 17 1 0 13 14 2 0 14 15 1 0 15 16 1 0 17 18 1 1 17 19 1 0 M CHG 2 18 1 19 1 M END > ZINC04617937 > 1 $$$$ SciTegic07110717482D 19 20 0 0 0 0 999 V2000 -6.5121 1.4924 0.0000 C 0 0 -5.2109 0.7445 0.0000 C 0 0 -3.9122 1.4966 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -1.2928 -2.6973 0.0000 O 0 0 -2.6111 -0.7486 0.0000 O 0 0 3.8926 -1.4991 0.0000 N 0 3 5.1929 -0.7495 0.0000 C 0 0 6.4926 -1.4999 0.0000 N 0 0 5.1964 0.7514 0.0000 N 0 0 -1.2928 2.6973 0.0000 Cl 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 14 1 0 4 5 2 0 5 6 1 0 5 19 1 0 6 11 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 9 15 1 0 10 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 15 16 2 0 16 17 1 0 16 18 1 0 M CHG 1 15 1 M END > ZINC03834158 > 2 $$$$ SciTegic07110717482D 19 21 0 0 0 0 999 V2000 -3.6217 1.4865 0.0000 C 0 3 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 4.0872 0.0351 0.0000 C 0 0 4.8236 1.3429 0.0000 C 0 0 4.0597 2.6338 0.0000 C 0 0 4.7957 3.9408 0.0000 C 0 0 6.2956 3.9569 0.0000 C 0 0 7.0595 2.6660 0.0000 C 0 0 6.3235 1.3590 0.0000 C 0 0 -4.9153 0.7255 0.0000 N 0 0 -3.6376 2.9873 0.0000 N 0 0 1 2 1 0 1 18 1 0 1 19 2 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 10 1 0 5 6 2 0 6 7 1 0 6 8 1 0 8 9 2 0 9 10 1 0 9 11 1 0 11 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 M CHG 1 1 1 M END > ZINC03834160 > 3 $$$$ SciTegic07110717482D 24 26 0 0 0 0 999 V2000 2.5973 -1.5031 0.0000 C 0 3 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5973 1.5031 0.0000 N 0 0 -2.5951 3.0039 0.0000 C 0 0 -3.8933 3.7570 0.0000 C 0 0 -3.8903 5.2570 0.0000 C 0 0 -5.1878 6.0096 0.0000 C 0 0 -6.4883 5.2623 0.0000 C 0 0 -6.4914 3.7623 0.0000 C 0 0 -5.1939 3.0097 0.0000 C 0 0 -7.7881 6.0127 0.0000 O 0 0 -9.0883 5.2631 0.0000 C 0 0 -9.0863 3.7631 0.0000 C 0 0 -10.3843 3.0113 0.0000 C 0 0 -11.6844 3.7594 0.0000 C 0 0 -11.6865 5.2594 0.0000 C 0 0 -10.3885 6.0113 0.0000 C 0 0 2.5951 -3.0039 0.0000 N 0 0 3.8999 -0.7576 0.0000 N 0 0 1 2 1 0 1 23 1 0 1 24 2 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 5 8 1 0 6 7 1 0 8 9 1 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 13 16 1 0 14 15 1 0 16 17 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 M CHG 1 1 1 M END > ZINC03832368 > 4 $$$$ SciTegic07110717482D 25 28 0 0 0 0 999 V2000 8.2240 -5.4657 0.0000 C 0 0 6.7274 -5.3652 0.0000 C 0 0 6.0660 -4.0189 0.0000 C 0 0 6.9013 -2.7729 0.0000 C 0 0 8.3980 -2.8734 0.0000 C 0 0 9.0593 -4.2198 0.0000 C 0 0 6.2418 -1.4248 0.0000 C 0 0 7.0791 -0.1803 0.0000 C 0 0 6.4199 1.1671 0.0000 C 0 0 4.9234 1.2700 0.0000 C 0 0 4.0896 0.0290 0.0000 C 0 0 4.7453 -1.3220 0.0000 C 0 0 3.9034 -2.5644 0.0000 O 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 -3.7952 0.9982 0.0000 C 0 0 1 0 0 0 -4.7530 -0.1572 0.0000 N 0 3 -2.8208 2.1778 0.0000 N 0 3 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 12 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 11 14 1 0 12 13 1 0 14 22 2 0 14 15 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 23 1 0 19 20 2 0 20 21 1 0 21 22 1 0 23 24 1 1 23 25 1 0 M CHG 2 24 1 25 1 M END > ZINC04617940 > 5 $$$$ SciTegic07110717482D 25 28 0 0 0 0 999 V2000 8.2240 -5.4657 0.0000 C 0 0 6.7274 -5.3652 0.0000 C 0 0 6.0660 -4.0189 0.0000 C 0 0 6.9013 -2.7729 0.0000 C 0 0 8.3980 -2.8734 0.0000 C 0 0 9.0593 -4.2198 0.0000 C 0 0 6.2418 -1.4248 0.0000 C 0 0 7.0791 -0.1803 0.0000 C 0 0 6.4199 1.1671 0.0000 C 0 0 4.9234 1.2700 0.0000 C 0 0 4.0896 0.0290 0.0000 C 0 0 4.7453 -1.3220 0.0000 C 0 0 3.9034 -2.5644 0.0000 O 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 -3.7952 0.9982 0.0000 C 0 0 1 0 0 0 -4.7530 -0.1572 0.0000 N 0 3 -2.8208 2.1778 0.0000 N 0 3 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 12 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 11 14 1 0 12 13 1 0 14 22 1 0 14 15 2 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 23 1 0 19 20 2 0 20 21 1 0 21 22 1 0 23 24 1 1 23 25 1 0 M CHG 2 24 1 25 1 M END > ZINC03834109 > 5 $$$$ SciTegic07110717482D 26 29 0 0 0 0 999 V2000 8.2240 -5.4657 0.0000 C 0 0 6.7274 -5.3652 0.0000 C 0 0 6.0660 -4.0189 0.0000 C 0 0 6.9013 -2.7729 0.0000 C 0 0 8.3980 -2.8734 0.0000 C 0 0 9.0593 -4.2198 0.0000 C 0 0 6.2418 -1.4248 0.0000 C 0 0 7.0791 -0.1803 0.0000 C 0 0 6.4199 1.1671 0.0000 C 0 0 4.9234 1.2700 0.0000 C 0 0 4.0896 0.0290 0.0000 C 0 0 4.7453 -1.3220 0.0000 C 0 0 3.9034 -2.5644 0.0000 O 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 -3.3560 -1.3452 0.0000 Cl 0 0 -3.7952 0.9982 0.0000 C 0 0 1 0 0 0 -4.7530 -0.1572 0.0000 N 0 3 -2.8208 2.1778 0.0000 N 0 3 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 12 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 11 14 1 0 12 13 1 0 14 22 1 0 14 15 2 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 24 1 0 19 20 2 0 19 23 1 0 20 21 1 0 21 22 1 0 24 25 1 1 24 26 1 0 M CHG 2 25 1 26 1 M END > ZINC03834113 > 5 $$$$ SciTegic07110717482D 27 29 0 0 0 0 999 V2000 3.8968 -0.7523 0.0000 C 0 0 2.5973 -1.5031 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 2 0 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1 0 0 0 1.2990 0.7500 0.0000 C 0 0 -0.0031 3.0008 0.0000 O 0 0 -1.3039 3.7494 0.0000 C 0 0 -1.3070 5.2502 0.0000 C 0 0 -2.6078 5.9988 0.0000 N 0 0 -2.6109 7.4996 0.0000 C 0 0 1 0 0 0 -1.3119 8.2497 0.0000 C 0 0 -1.3119 9.7497 0.0000 C 0 0 -3.9100 9.7496 0.0000 C 0 0 -3.9100 8.2496 0.0000 C 0 0 2.5951 -3.0039 0.0000 S 0 0 1 0 0 0 2.5928 -4.2039 0.0000 O 0 0 1.5548 -3.6021 0.0000 O 0 0 3.8933 -3.7570 0.0000 C 0 0 2 0 0 0 5.1939 -3.0097 0.0000 C 0 0 6.4914 -3.7623 0.0000 C 0 0 6.4883 -5.2623 0.0000 C 0 0 5.1877 -6.0097 0.0000 C 0 0 3.8902 -5.2570 0.0000 C 0 0 -2.6110 10.4997 0.0000 N 0 0 1 2 1 0 3 2 1 6 18 2 1 1 3 8 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 1 6 9 10 1 0 10 11 1 0 11 12 1 0 13 12 1 6 13 17 1 0 13 14 1 0 14 15 1 0 15 27 1 0 16 17 1 0 16 27 1 0 18 19 2 0 18 20 2 0 18 21 1 0 21 26 1 6 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 M END > ZINC01545762 > 6 $$$$ SciTegic07110717482D 27 29 0 0 0 0 999 V2000 2.5988 -1.5004 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0031 3.0008 0.0000 O 0 0 1.3039 3.7494 0.0000 S 0 0 1 0 0 0 2.3421 3.1476 0.0000 O 0 0 0.2657 4.3512 0.0000 O 0 0 1.3070 5.2502 0.0000 C 0 0 0.0095 6.0029 0.0000 C 0 0 0.0125 7.5029 0.0000 C 0 0 1.3131 8.2502 0.0000 C 0 0 2.6106 7.4976 0.0000 N 0 0 2.6075 5.9976 0.0000 C 0 0 -2.6003 -1.4978 0.0000 O 0 0 -3.8990 -0.7455 0.0000 C 0 0 -5.2003 -1.4932 0.0000 C 0 0 -6.4990 -0.7410 0.0000 N 0 0 -7.8003 -1.4887 0.0000 C 0 0 -7.8004 -2.9888 0.0000 C 0 0 -9.0994 -3.7388 0.0000 C 0 0 -10.3985 -2.9887 0.0000 N 0 0 -10.3984 -1.4887 0.0000 N 0 0 -9.0994 -0.7388 0.0000 C 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 4 18 1 0 5 6 2 0 6 7 1 0 6 8 1 0 9 8 1 1 9 10 2 0 9 11 2 0 9 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 27 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 M END > ZINC03814111 > 6 $$$$ SciTegic07110717482D 27 30 0 0 0 0 999 V2000 3.3485 10.2413 0.0000 C 0 0 2.5537 8.9692 0.0000 C 0 0 3.2579 7.6448 0.0000 C 0 0 4.7570 7.5925 0.0000 C 0 0 5.5518 8.8646 0.0000 C 0 0 4.8476 10.1890 0.0000 C 0 0 5.4616 6.2674 0.0000 C 0 0 4.7088 4.9926 0.0000 C 0 0 2 0 0 0 5.8720 4.0455 0.0000 C 0 0 5.6334 2.5646 0.0000 C 0 0 4.2316 2.0307 0.0000 N 0 0 3.0684 2.9779 0.0000 C 0 0 3.3070 4.4588 0.0000 C 0 0 3.9900 0.5495 0.0000 C 0 0 4.9193 -0.2097 0.0000 O 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 -3.7952 0.9982 0.0000 C 0 0 1 0 0 0 -4.7530 -0.1572 0.0000 N 0 3 -2.8208 2.1778 0.0000 N 0 3 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 8 7 1 6 8 13 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 11 14 1 0 12 13 1 0 14 15 2 0 14 16 1 0 16 24 1 0 16 17 2 0 17 18 1 0 18 23 2 0 18 19 1 0 19 20 2 0 20 21 1 0 20 25 1 0 21 22 2 0 22 23 1 0 23 24 1 0 25 26 1 1 25 27 1 0 M CHG 2 26 1 27 1 M END > ZINC03834114 > 7 $$$$ SciTegic07110717482D 29 31 0 0 0 0 999 V2000 -5.2200 -3.7566 0.0000 C 0 3 -6.5171 -3.0017 0.0000 C 0 0 -7.8172 -3.7498 0.0000 C 0 0 -9.1152 -2.9980 0.0000 C 0 0 -9.1131 -1.4980 0.0000 C 0 0 -7.8130 -0.7498 0.0000 C 0 0 -6.5150 -1.5017 0.0000 C 0 0 -7.8109 0.7510 0.0000 C 0 0 -6.5106 1.5004 0.0000 C 0 0 1 0 0 0 -7.8370 2.2629 0.0000 C 0 0 -7.8389 3.4629 0.0000 O 0 0 -9.1358 1.5108 0.0000 O 0 0 -10.4370 2.2588 0.0000 C 0 0 -5.2109 0.7498 0.0000 N 0 0 -3.9106 1.4992 0.0000 S 0 0 2 0 0 0 -2.8712 2.0989 0.0000 O 0 0 -3.9101 2.6992 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -5.2242 -5.2574 0.0000 N 0 0 -3.9163 -3.0129 0.0000 N 0 0 1 2 1 0 1 28 1 0 1 29 2 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 6 8 1 0 9 8 1 6 9 10 1 0 9 14 1 0 10 11 2 0 10 12 1 0 12 13 1 0 15 14 1 1 15 16 2 0 15 17 2 0 15 18 1 0 18 27 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 26 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 1 0 M CHG 1 1 1 M END > ZINC03834145 > 8 $$$$ SciTegic07110717482D 31 33 0 0 0 0 999 V2000 -5.2200 -3.7566 0.0000 C 0 3 -6.5171 -3.0017 0.0000 C 0 0 -7.8172 -3.7498 0.0000 C 0 0 -9.1152 -2.9980 0.0000 C 0 0 -9.1131 -1.4980 0.0000 C 0 0 -7.8130 -0.7498 0.0000 C 0 0 -6.5150 -1.5017 0.0000 C 0 0 -7.8109 0.7510 0.0000 C 0 0 -6.5106 1.5004 0.0000 C 0 0 1 0 0 0 -7.8370 2.2629 0.0000 C 0 0 -7.8389 3.4629 0.0000 O 0 0 -9.1358 1.5108 0.0000 O 0 0 -10.4370 2.2588 0.0000 C 0 0 1 0 0 0 -11.7358 1.5067 0.0000 C 0 0 -10.4394 3.7595 0.0000 C 0 0 -5.2109 0.7498 0.0000 N 0 0 -3.9106 1.4992 0.0000 S 0 0 2 0 0 0 -2.8712 2.0989 0.0000 O 0 0 -3.9101 2.6992 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -5.2242 -5.2574 0.0000 N 0 0 -3.9163 -3.0129 0.0000 N 0 0 1 2 1 0 1 30 1 0 1 31 2 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 6 8 1 0 9 8 1 6 9 10 1 0 9 16 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 1 1 13 15 1 0 17 16 1 1 17 18 2 0 17 19 2 0 17 20 1 0 20 29 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 28 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 1 0 M CHG 1 1 1 M END > ZINC03834137 > 8 $$$$ SciTegic07110717482D 29 31 0 0 0 0 999 V2000 5.1991 2.9969 0.0000 C 0 3 3.8988 3.7463 0.0000 C 0 0 3.9007 5.2463 0.0000 C 0 0 2.6026 5.9980 0.0000 C 0 0 1.3026 5.2496 0.0000 C 0 0 1.3007 3.7496 0.0000 C 0 0 2.5988 2.9980 0.0000 C 0 0 0.0000 3.0008 0.0000 C 0 0 -1.2993 3.7521 0.0000 C 0 0 1 0 0 0 -1.8197 2.3133 0.0000 C 0 0 -1.0462 1.3958 0.0000 O 0 0 -3.2970 2.0489 0.0000 N 0 0 -4.3551 3.0941 0.0000 C 0 0 -5.6791 2.3891 0.0000 C 0 0 -5.4178 0.9121 0.0000 C 0 0 -3.9323 0.7041 0.0000 C 0 0 -1.2993 5.2529 0.0000 N 0 0 -2.5986 6.0041 0.0000 S 0 0 1 0 0 0 -3.6377 6.6043 0.0000 O 0 0 -3.6380 5.4044 0.0000 O 0 0 -2.5986 7.5049 0.0000 C 0 0 -1.2996 8.2549 0.0000 C 0 0 -1.2996 9.7549 0.0000 C 0 0 -2.5986 10.5049 0.0000 C 0 0 -3.8976 9.7549 0.0000 C 0 0 -3.8976 8.2549 0.0000 C 0 0 -2.5986 12.0058 0.0000 C 0 0 6.4987 3.7476 0.0000 N 0 0 5.2029 1.4961 0.0000 N 0 0 1 2 1 0 1 28 1 0 1 29 2 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 6 8 1 0 9 8 1 1 9 10 1 0 9 17 1 0 10 11 2 0 10 12 1 0 12 16 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 18 17 1 6 18 19 2 0 18 20 2 0 18 21 1 0 21 26 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 24 27 1 0 25 26 1 0 M CHG 1 1 1 M END > ZINC03834148 > 9 $$$$ SciTegic07110717482D 29 31 0 0 0 0 999 V2000 2.1309 1.1675 0.0000 C 0 0 0.6529 1.4281 0.0000 C 0 0 -0.3113 0.2790 0.0000 C 0 0 -1.7885 0.5395 0.0000 C 0 0 -2.3015 1.9490 0.0000 C 0 0 -1.3374 3.0981 0.0000 C 0 0 0.1398 2.8376 0.0000 C 0 0 -1.8478 4.5095 0.0000 O 0 0 -0.8815 5.6578 0.0000 S 0 0 1 0 0 0 0.3000 5.4474 0.0000 O 0 0 -2.0629 5.8682 0.0000 O 0 0 -1.3919 7.0692 0.0000 C 0 0 -2.8685 7.3327 0.0000 C 0 0 -3.3787 8.7433 0.0000 C 0 0 -2.4121 9.8903 0.0000 C 0 0 -0.9355 9.6268 0.0000 C 0 0 -0.4253 8.2163 0.0000 C 0 0 0.7560 8.0055 0.0000 Cl 0 0 -2.7556 -0.6082 0.0000 O 0 0 -4.2332 -0.3455 0.0000 C 0 0 -5.2003 -1.4932 0.0000 C 0 0 2 0 0 0 -3.9026 -2.2040 0.0000 C 0 0 -3.9055 -3.7040 0.0000 C 0 0 -5.2059 -4.4515 0.0000 N 0 0 -5.2118 -5.9524 0.0000 C 0 3 -3.9155 -6.7087 0.0000 N 0 0 -6.5133 -6.6999 0.0000 N 0 0 -6.5035 -3.6991 0.0000 C 0 0 -6.5007 -2.1991 0.0000 C 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 4 19 1 0 5 6 2 0 6 7 1 0 6 8 1 0 9 8 1 1 9 10 2 0 9 11 2 0 9 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 19 20 1 0 21 20 1 6 21 29 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 28 1 0 25 26 1 0 25 27 1 0 28 29 1 0 M CHG 1 25 1 M END > ZINC03834162 > 10 $$$$ SciTegic07110717482D 30 34 0 0 0 0 999 V2000 -6.4762 -2.7898 0.0000 C 0 0 -6.8089 -4.2525 0.0000 C 0 0 -5.7085 -5.2719 0.0000 C 0 0 -4.2755 -4.8286 0.0000 C 0 0 -3.9428 -3.3659 0.0000 C 0 0 -5.0432 -2.3465 0.0000 C 0 0 -4.2300 -1.0852 0.0000 C 0 0 -2.7343 -1.1580 0.0000 N 0 0 -1.8461 -2.4603 0.0000 C 0 0 -2.2480 -3.5910 0.0000 O 0 0 -0.3662 -2.0199 0.0000 C 0 0 1 0 0 0 1.0621 -2.5398 0.0000 C 0 0 2 0 0 0 1.9127 -3.8284 0.0000 C 0 0 3.4301 -3.4017 0.0000 C 0 0 3.4588 -1.8903 0.0000 C 0 0 1.1483 -0.0810 0.0000 C 0 0 2 0 0 0 -0.3282 -0.5120 0.0000 C 0 0 1 0 0 0 -1.7847 0.0181 0.0000 C 0 0 -2.1063 1.1742 0.0000 O 0 0 1.1267 1.4069 0.0000 C 0 0 2.4148 2.1756 0.0000 C 0 0 2.3931 3.6754 0.0000 C 0 0 1.0834 4.4066 0.0000 C 0 0 -0.2047 3.6379 0.0000 C 0 0 -0.1830 2.1380 0.0000 C 0 0 1.5762 5.8241 0.0000 C 0 0 1 0 0 0 -5.9746 -6.4420 0.0000 F 0 0 2.0022 -1.3602 0.0000 N 0 3 3.0501 6.1070 0.0000 N 0 3 0.0732 5.5384 0.0000 N 0 3 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 27 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 1 0 8 18 1 0 8 9 1 0 9 10 2 0 11 9 1 6 11 17 1 0 11 12 1 0 12 13 1 1 12 28 1 0 13 14 1 0 14 15 1 0 15 28 1 0 16 17 1 0 16 20 1 6 16 28 1 0 17 18 1 6 18 19 2 0 20 25 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 23 26 1 0 24 25 1 0 26 29 1 6 26 30 1 0 M CHG 3 28 1 29 1 30 1 M END > ZINC03834115 > 11 $$$$ SciTegic07110717482D 30 32 0 0 0 0 999 V2000 2.5988 -1.5004 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5988 1.5004 0.0000 S 0 0 2 0 0 0 -2.5984 2.7004 0.0000 O 0 0 -3.6377 2.1009 0.0000 O 0 0 -3.8990 0.7508 0.0000 N 0 0 -5.1988 1.5012 0.0000 C 0 0 1 0 0 0 -6.4990 0.7516 0.0000 C 0 0 -6.5009 -0.7492 0.0000 C 0 0 -5.2028 -1.5008 0.0000 C 0 0 -5.2047 -3.0008 0.0000 C 0 0 -6.5047 -3.7492 0.0000 C 0 0 -7.8028 -2.9976 0.0000 C 0 0 -7.8009 -1.4976 0.0000 C 0 0 -5.9932 -5.1602 0.0000 C 0 0 2 0 0 0 -5.1983 3.0020 0.0000 C 0 0 -4.1587 3.6013 0.0000 O 0 0 -6.4973 3.7536 0.0000 N 0 0 -7.7957 3.0022 0.0000 C 0 0 -9.0955 3.7508 0.0000 C 0 0 -9.0971 5.2508 0.0000 C 0 0 -7.7989 6.0022 0.0000 C 0 0 -6.4991 5.2536 0.0000 C 0 0 -4.5156 -5.4236 0.0000 N 0 3 -7.4998 -4.8942 0.0000 N 0 3 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 8 5 1 1 6 7 1 0 8 9 2 0 8 10 2 0 8 11 1 0 12 11 1 1 12 13 1 0 12 21 1 0 13 14 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 17 20 1 0 18 19 1 0 20 29 1 6 20 30 1 0 21 22 2 0 21 23 1 0 23 28 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 M CHG 2 29 1 30 1 M END > ZINC03834112 > 12 $$$$ SciTegic07110717482D 30 32 0 0 0 0 999 V2000 5.1991 2.9969 0.0000 C 0 3 3.8988 3.7463 0.0000 C 0 0 3.9007 5.2463 0.0000 C 0 0 2.6026 5.9980 0.0000 C 0 0 1.3026 5.2496 0.0000 C 0 0 1.3007 3.7496 0.0000 C 0 0 2.5988 2.9980 0.0000 C 0 0 0.0000 3.0008 0.0000 C 0 0 -1.2993 3.7521 0.0000 C 0 0 1 0 0 0 -1.8197 2.3133 0.0000 C 0 0 -1.0462 1.3958 0.0000 O 0 0 -3.2970 2.0489 0.0000 N 0 0 -4.2620 3.1974 0.0000 C 0 0 -5.7390 2.9361 0.0000 C 0 0 -6.2513 1.5262 0.0000 O 0 0 -5.2864 0.3777 0.0000 C 0 0 -3.8094 0.6390 0.0000 C 0 0 -1.2993 5.2529 0.0000 N 0 0 -2.5986 6.0041 0.0000 S 0 0 1 0 0 0 -3.6377 6.6043 0.0000 O 0 0 -3.6380 5.4044 0.0000 O 0 0 -2.5986 7.5049 0.0000 C 0 0 -1.2996 8.2549 0.0000 C 0 0 -1.2996 9.7549 0.0000 C 0 0 -2.5986 10.5049 0.0000 C 0 0 -3.8976 9.7549 0.0000 C 0 0 -3.8976 8.2549 0.0000 C 0 0 -2.5986 12.0058 0.0000 C 0 0 6.4987 3.7476 0.0000 N 0 0 5.2029 1.4961 0.0000 N 0 0 1 2 1 0 1 29 1 0 1 30 2 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 6 8 1 0 9 8 1 1 9 10 1 0 9 18 1 0 10 11 2 0 10 12 1 0 12 17 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 19 18 1 6 19 20 2 0 19 21 2 0 19 22 1 0 22 27 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 25 28 1 0 26 27 1 0 M CHG 1 1 1 M END > ZINC03834156 > 12 $$$$ SciTegic07110717482D 30 32 0 0 0 0 999 V2000 -8.3841 0.6018 0.0000 C 0 3 -7.4185 1.7507 0.0000 C 0 0 -7.9333 3.1596 0.0000 C 0 0 -6.9706 4.3099 0.0000 C 0 0 -5.4931 4.0513 0.0000 C 0 0 -4.9783 2.6424 0.0000 C 0 0 -5.9410 1.4921 0.0000 C 0 0 -3.4999 2.3837 0.0000 C 0 0 -2.5359 3.5340 0.0000 C 0 0 1 0 0 0 -1.5548 2.3600 0.0000 C 0 0 -1.9678 1.2333 0.0000 O 0 0 -0.0761 2.6168 0.0000 N 0 0 0.4378 4.0261 0.0000 C 0 0 1.9151 4.2857 0.0000 C 0 0 2.8787 3.1361 0.0000 C 0 0 2.3649 1.7269 0.0000 C 0 0 0.8875 1.4672 0.0000 C 0 0 -3.0492 4.9443 0.0000 N 0 0 -2.0853 6.0946 0.0000 S 0 0 1 0 0 0 -1.3141 7.0140 0.0000 O 0 0 -0.9034 5.8866 0.0000 O 0 0 -2.5986 7.5049 0.0000 C 0 0 -1.2996 8.2549 0.0000 C 0 0 -1.2996 9.7549 0.0000 C 0 0 -2.5986 10.5049 0.0000 C 0 0 -3.8976 9.7549 0.0000 C 0 0 -3.8976 8.2549 0.0000 C 0 0 -2.5986 12.0058 0.0000 C 0 0 -7.8728 -0.8093 0.0000 N 0 0 -9.8624 0.8610 0.0000 N 0 0 1 2 1 0 1 29 1 0 1 30 2 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 6 8 1 0 9 8 1 6 9 10 1 0 9 18 1 0 10 11 2 0 10 12 1 0 12 17 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 19 18 1 1 19 20 2 0 19 21 2 0 19 22 1 0 22 27 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 25 28 1 0 26 27 1 0 M CHG 1 1 1 M END > ZINC02047416 > 12 $$$$ SciTegic07110717482D 31 33 0 0 0 0 999 V2000 5.1991 2.9969 0.0000 C 0 3 3.8988 3.7463 0.0000 C 0 0 3.9007 5.2463 0.0000 C 0 0 2.6026 5.9980 0.0000 C 0 0 1.3026 5.2496 0.0000 C 0 0 1.3007 3.7496 0.0000 C 0 0 2.5988 2.9980 0.0000 C 0 0 0.0000 3.0008 0.0000 C 0 0 -1.2993 3.7521 0.0000 C 0 0 1 0 0 0 -1.8197 2.3133 0.0000 C 0 0 -1.0462 1.3958 0.0000 O 0 0 -3.2970 2.0489 0.0000 N 0 0 -4.2620 3.1974 0.0000 C 0 0 -5.7390 2.9361 0.0000 C 0 0 -6.2513 1.5262 0.0000 C 0 0 1 0 0 0 -5.2864 0.3777 0.0000 C 0 0 -3.8094 0.6390 0.0000 C 0 0 -7.1753 2.6829 0.0000 C 0 0 -1.2993 5.2529 0.0000 N 0 0 -2.5986 6.0041 0.0000 S 0 0 1 0 0 0 -3.6377 6.6043 0.0000 O 0 0 -3.6380 5.4044 0.0000 O 0 0 -2.5986 7.5049 0.0000 C 0 0 -1.2996 8.2549 0.0000 C 0 0 -1.2996 9.7549 0.0000 C 0 0 -2.5986 10.5049 0.0000 C 0 0 -3.8976 9.7549 0.0000 C 0 0 -3.8976 8.2549 0.0000 C 0 0 -2.5986 12.0058 0.0000 C 0 0 6.4987 3.7476 0.0000 N 0 0 5.2029 1.4961 0.0000 N 0 0 1 2 1 0 1 30 1 0 1 31 2 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 6 8 1 0 9 8 1 1 9 10 1 0 9 19 1 0 10 11 2 0 10 12 1 0 12 17 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 15 18 1 1 16 17 1 0 20 19 1 6 20 21 2 0 20 22 2 0 20 23 1 0 23 28 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 26 29 1 0 27 28 1 0 M CHG 1 1 1 M END > ZINC03834126 > 12 $$$$ SciTegic07110717482D 30 32 0 0 0 0 999 V2000 2.5988 -1.5004 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 N 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 0.0000 2.7000 0.0000 O 0 0 1.2990 0.7500 0.0000 N 0 0 2.5988 1.5004 0.0000 C 0 0 3.8990 0.7508 0.0000 C 0 0 3.8994 -0.4492 0.0000 O 0 0 5.1988 1.5013 0.0000 N 0 0 6.4990 0.7517 0.0000 C 0 0 7.7987 1.5021 0.0000 C 0 0 3 0 0 0 7.7987 3.0021 0.0000 C 0 0 9.0978 3.7521 0.0000 C 0 0 10.3968 3.0021 0.0000 C 0 0 2 0 0 0 9.0978 0.7521 0.0000 C 0 0 1 0 0 0 9.0978 -0.7487 0.0000 C 0 0 11.6950 3.7552 0.0000 N 0 0 -2.6003 1.4977 0.0000 N 0 0 -3.8990 0.7455 0.0000 C 0 0 -5.2003 1.4932 0.0000 C 0 0 -6.4990 0.7409 0.0000 C 0 0 2 0 0 0 -7.7991 1.4891 0.0000 C 0 0 -9.0971 0.7372 0.0000 C 0 0 -9.0949 -0.7628 0.0000 C 0 0 -7.7948 -1.5109 0.0000 C 0 0 -6.4969 -0.7591 0.0000 C 0 0 10.3968 1.5021 0.0000 N 0 0 1 2 1 0 2 8 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 5 21 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 14 13 1 4 14 18 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 20 1 6 17 30 1 0 18 19 1 6 18 30 1 0 21 22 1 0 22 23 1 0 24 23 1 1 24 29 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 M END > ZINC03831937 > 13 $$$$ SciTegic07110717482D 31 33 0 0 0 0 999 V2000 8.3953 -10.7683 0.0000 C 0 0 7.4244 -9.6238 0.0000 C 0 0 5.9486 -9.8923 0.0000 C 0 0 4.9783 -8.7484 0.0000 C 0 0 5.4837 -7.3361 0.0000 C 0 0 6.9595 -7.0677 0.0000 C 0 0 7.3638 -5.9379 0.0000 O 0 0 7.9299 -8.2115 0.0000 N 0 0 9.4065 -7.9430 0.0000 C 0 0 10.3781 -9.0868 0.0000 C 0 0 9.9741 -10.2168 0.0000 O 0 0 11.8547 -8.8183 0.0000 N 0 0 12.8263 -9.9621 0.0000 C 0 0 14.3029 -9.6936 0.0000 C 0 0 2 0 0 0 14.2745 -11.1729 0.0000 C 0 0 15.5775 -11.9161 0.0000 C 0 0 16.8726 -11.1593 0.0000 C 0 0 2 0 0 0 16.8647 -9.6593 0.0000 C 0 0 15.5618 -8.9161 0.0000 C 0 0 4.5152 -6.1896 0.0000 N 0 0 3.0379 -6.4542 0.0000 S 0 0 1 0 0 0 1.8568 -6.6664 0.0000 O 0 0 2.6308 -7.5831 0.0000 O 0 0 2.0693 -5.3078 0.0000 C 0 0 0.5920 -5.5724 0.0000 C 0 0 0.0828 -6.9833 0.0000 C 0 0 -1.3937 -7.2477 0.0000 C 0 0 -2.3610 -6.1013 0.0000 C 0 0 -1.8518 -4.6903 0.0000 C 0 0 -0.3753 -4.4259 0.0000 C 0 0 16.8438 -12.6395 0.0000 N 0 3 1 2 1 0 2 8 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 5 20 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 14 13 1 1 14 19 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 17 31 1 6 18 19 1 0 21 20 1 6 21 22 2 0 21 23 2 0 21 24 1 0 24 25 1 0 25 30 2 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 29 30 1 0 M CHG 1 31 1 M END > ZINC03814029 > 13 $$$$ SciTegic07110717482D 32 37 0 0 0 0 999 V2000 5.4010 4.3227 0.0000 C 0 3 3.9188 4.0868 0.0000 C 0 0 3.8969 2.5870 0.0000 C 0 0 2.5870 1.8560 0.0000 C 0 0 1.2991 2.6249 0.0000 C 0 0 1.3210 4.1248 0.0000 C 0 0 2.6309 4.8557 0.0000 C 0 0 0.0217 3.3875 0.0000 C 0 0 2 0 0 0 -0.1463 1.8586 0.0000 C 0 0 2 0 0 0 -1.6248 1.5593 0.0000 C 0 0 2 0 0 0 -2.3848 2.8757 0.0000 C 0 0 2 0 0 0 -2.1613 5.3487 0.0000 C 0 0 -3.6448 5.0581 0.0000 C 0 0 -3.8015 3.4895 0.0000 C 0 0 -1.8015 0.0254 0.0000 C 0 0 -2.8452 -0.5667 0.0000 O 0 0 -0.3648 -0.6231 0.0000 N 0 0 0.6287 0.5163 0.0000 C 0 0 1.8230 0.4004 0.0000 O 0 0 0.4462 -1.8819 0.0000 C 0 0 -0.2389 -3.2173 0.0000 C 0 0 0.5736 -4.4991 0.0000 C 0 0 -0.1154 -5.8259 0.0000 C 0 0 -1.6333 -5.9005 0.0000 C 0 0 -2.4292 -4.6243 0.0000 C 0 0 -1.7402 -3.2975 0.0000 C 0 0 -2.7922 -2.2376 0.0000 O 0 0 -4.1150 -2.8860 0.0000 C 0 0 -3.9013 -4.3734 0.0000 O 0 0 6.3471 3.1577 0.0000 N 0 0 5.9402 5.7234 0.0000 N 0 0 -1.3863 4.0064 0.0000 N 0 3 1 2 1 0 1 30 1 0 1 31 2 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 8 5 1 6 6 7 1 0 8 9 1 0 8 32 1 0 9 18 1 1 9 10 1 0 10 11 1 0 10 15 1 1 11 14 1 6 11 32 1 0 12 13 1 0 12 32 1 0 13 14 1 0 15 16 2 0 15 17 1 0 17 18 1 0 17 20 1 0 18 19 2 0 20 21 1 0 21 26 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 29 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 M CHG 2 1 1 32 1 M END > ZINC03834161 > 14 $$$$