SciTegic07110717562D 26 28 0 0 0 0 999 V2000 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 C 0 0 2.5973 -1.5031 0.0000 N 0 0 3.8968 -0.7523 0.0000 C 0 0 1.2990 -0.7500 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 3 0 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 1 0 0 0 -2.5987 -1.5004 0.0000 C 0 0 2 0 0 0 -3.8967 -0.7484 0.0000 C 0 0 -5.1969 -1.4963 0.0000 C 0 0 -5.1993 -2.9963 0.0000 C 0 0 3 0 0 0 -3.9014 -3.7484 0.0000 C 0 0 -2.6012 -3.0004 0.0000 C 0 0 3 0 0 0 -1.3027 -3.7530 0.0000 C 0 0 -6.4987 -3.7474 0.0000 O 0 0 0.0000 3.0008 0.0000 C 0 0 2 0 0 0 -1.3002 3.7488 0.0000 C 0 0 -1.3026 5.2488 0.0000 C 0 0 -0.0048 6.0009 0.0000 C 0 0 1.2954 5.2529 0.0000 C 0 0 1.2978 3.7529 0.0000 C 0 0 0.0000 -1.5000 0.0000 N 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 7 5 1 6 7 8 1 0 7 26 1 0 9 8 1 4 9 10 1 0 9 20 1 0 11 10 1 6 11 12 1 0 11 26 1 0 12 17 1 0 12 13 1 1 13 14 1 0 14 15 1 0 15 16 1 0 15 19 1 4 16 17 1 0 17 18 1 4 20 25 1 6 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 M END > ZINC03815473 > 1 $$$$ SciTegic07110717562D 26 28 0 0 0 0 999 V2000 5.1894 -6.0109 0.0000 C 0 0 3.8912 -5.2578 0.0000 C 0 0 1 0 0 0 2.5902 -6.0059 0.0000 C 0 0 3.8933 -3.7570 0.0000 C 0 0 2.5951 -3.0039 0.0000 C 0 0 2.5973 -1.5031 0.0000 N 0 0 3.8968 -0.7523 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 2 0 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 3 0 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 2 0 0 0 -2.5987 -1.5004 0.0000 C 0 0 3 0 0 0 -3.8967 -0.7484 0.0000 C 0 0 -5.1969 -1.4963 0.0000 C 0 0 -5.1993 -2.9963 0.0000 C 0 0 1 0 0 0 -3.9014 -3.7484 0.0000 C 0 0 -2.6012 -3.0004 0.0000 C 0 0 -6.5018 -3.7420 0.0000 O 0 0 0.0000 3.0008 0.0000 C 0 0 2 0 0 0 -1.3002 3.7488 0.0000 C 0 0 -1.3026 5.2488 0.0000 C 0 0 -0.0048 6.0009 0.0000 C 0 0 1.2954 5.2529 0.0000 C 0 0 1.2978 3.7529 0.0000 C 0 0 0.0000 -1.5000 0.0000 N 0 0 2 1 1 1 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 8 6 1 1 8 9 1 0 8 26 1 0 10 9 1 4 10 11 1 0 10 20 1 0 12 11 1 1 12 13 1 0 12 26 1 0 13 18 1 4 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 16 19 1 1 17 18 1 0 20 25 1 6 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 M END > ZINC03815471 > 1 $$$$ SciTegic07110717562D 31 33 0 0 0 0 999 V2000 5.1873 -7.5117 0.0000 C 0 0 5.1894 -6.0109 0.0000 C 0 0 3.8912 -5.2578 0.0000 O 0 0 3.8933 -3.7570 0.0000 C 0 0 2.5951 -3.0039 0.0000 C 0 0 2.5973 -1.5031 0.0000 N 0 0 3.8968 -0.7523 0.0000 C 0 0 3.8973 0.7486 0.0000 C 0 0 5.1968 1.4994 0.0000 O 0 0 5.1972 3.0002 0.0000 C 0 0 6.4968 3.7510 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 2 0 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 3 0 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 2 0 0 0 -2.5987 -1.5004 0.0000 C 0 0 3 0 0 0 -3.8967 -0.7484 0.0000 C 0 0 -5.1969 -1.4963 0.0000 C 0 0 -5.1993 -2.9963 0.0000 C 0 0 3 0 0 0 -3.9014 -3.7484 0.0000 C 0 0 -2.6012 -3.0004 0.0000 C 0 0 3 0 0 0 -1.3027 -3.7530 0.0000 C 0 0 -6.4987 -3.7474 0.0000 O 0 0 0.0000 3.0008 0.0000 C 0 0 2 0 0 0 -1.3002 3.7488 0.0000 C 0 0 -1.3026 5.2488 0.0000 C 0 0 -0.0048 6.0009 0.0000 C 0 0 1.2954 5.2529 0.0000 C 0 0 1.2978 3.7529 0.0000 C 0 0 0.0000 -1.5000 0.0000 N 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 12 6 1 1 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 12 13 1 0 12 31 1 0 14 13 1 4 14 15 1 0 14 25 1 0 16 15 1 1 16 17 1 0 16 31 1 0 17 22 1 0 17 18 1 4 18 19 1 0 19 20 1 0 20 21 1 0 20 24 1 4 21 22 1 0 22 23 1 4 25 30 1 6 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 M END > ZINC03815476 > 1 $$$$ SciTegic07110717562D 28 30 0 0 0 0 999 V2000 6.1370 -3.2353 0.0000 C 0 0 4.8370 -2.4853 0.0000 C 0 0 3.5370 -3.2353 0.0000 C 0 0 2.2393 -2.4814 0.0000 C 0 0 0.9371 -3.2275 0.0000 C 0 0 1.4483 -4.6377 0.0000 C 0 0 0.4827 -5.7856 0.0000 C 0 0 -0.9942 -5.5232 0.0000 C 0 0 -1.5055 -4.1130 0.0000 C 0 0 -0.5398 -2.9652 0.0000 C 0 0 2.2438 -0.9807 0.0000 C 0 0 0.9460 -0.2284 0.0000 C 0 0 0.9485 1.2716 0.0000 C 0 0 2.2488 2.0194 0.0000 C 0 0 3.5466 1.2673 0.0000 C 0 0 3.5441 -0.2327 0.0000 C 0 0 2.2543 3.5203 0.0000 O 0 0 3.5564 4.2667 0.0000 C 0 0 3.5619 5.7675 0.0000 C 0 0 4.8695 8.0147 0.0000 C 0 0 6.1611 5.7591 0.0000 C 0 0 3.5340 -4.7362 0.0000 C 0 0 5.0113 -4.4758 0.0000 C 0 0 5.9754 -5.6249 0.0000 C 0 0 5.4623 -7.0344 0.0000 C 0 0 3.9851 -7.2948 0.0000 C 0 0 3.0210 -6.1458 0.0000 C 0 0 4.8640 6.5139 0.0000 N 0 3 1 2 1 0 2 3 1 0 3 4 2 0 3 22 1 0 4 5 1 0 4 11 1 0 5 10 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 11 16 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 14 17 1 0 15 16 1 0 17 18 1 0 18 19 1 0 19 28 1 0 20 28 1 0 21 28 1 0 22 27 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 M CHG 1 28 1 M END > ZINC01530690 > 2 $$$$ SciTegic07110717562D 29 31 0 0 0 0 999 V2000 6.1370 -3.2353 0.0000 C 0 0 4.8370 -2.4853 0.0000 C 0 0 3.5370 -3.2353 0.0000 C 0 0 2.2393 -2.4814 0.0000 C 0 0 0.9371 -3.2275 0.0000 C 0 0 1.4483 -4.6377 0.0000 C 0 0 0.4827 -5.7856 0.0000 C 0 0 -0.9942 -5.5232 0.0000 C 0 0 -1.5055 -4.1130 0.0000 C 0 0 -0.5398 -2.9652 0.0000 C 0 0 -1.9627 -6.6697 0.0000 O 0 0 2.2438 -0.9807 0.0000 C 0 0 0.9460 -0.2284 0.0000 C 0 0 0.9485 1.2716 0.0000 C 0 0 2.2488 2.0194 0.0000 C 0 0 3.5466 1.2673 0.0000 C 0 0 3.5441 -0.2327 0.0000 C 0 0 2.2543 3.5203 0.0000 O 0 0 3.5564 4.2667 0.0000 C 0 0 3.5619 5.7675 0.0000 C 0 0 4.8695 8.0147 0.0000 C 0 0 6.1611 5.7591 0.0000 C 0 0 3.5340 -4.7362 0.0000 C 0 0 5.0113 -4.4758 0.0000 C 0 0 5.9754 -5.6249 0.0000 C 0 0 5.4623 -7.0344 0.0000 C 0 0 3.9851 -7.2948 0.0000 C 0 0 3.0210 -6.1458 0.0000 C 0 0 4.8640 6.5139 0.0000 N 0 3 1 2 1 0 2 3 1 0 3 4 2 0 3 23 1 0 4 5 1 0 4 12 1 0 5 10 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 8 11 1 0 9 10 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 15 18 1 0 16 17 1 0 18 19 1 0 19 20 1 0 20 29 1 0 21 29 1 0 22 29 1 0 23 28 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 M CHG 1 29 1 M END > ZINC01530090 > 2 $$$$ SciTegic07110717562D 29 31 0 0 0 0 999 V2000 6.1370 -3.2353 0.0000 C 0 0 4.8370 -2.4853 0.0000 C 0 0 3.5370 -3.2353 0.0000 C 0 0 2.2393 -2.4814 0.0000 C 0 0 0.9371 -3.2275 0.0000 C 0 0 1.4483 -4.6377 0.0000 C 0 0 0.4827 -5.7856 0.0000 C 0 0 -0.9942 -5.5232 0.0000 C 0 0 -1.5055 -4.1130 0.0000 C 0 0 -0.5398 -2.9652 0.0000 C 0 0 -1.9627 -6.6697 0.0000 O 0 0 -3.4401 -6.4051 0.0000 C 0 0 -4.4086 -7.5516 0.0000 C 0 0 -6.8544 -8.4335 0.0000 C 0 0 -6.3949 -5.8752 0.0000 C 0 0 2.2438 -0.9807 0.0000 C 0 0 0.9460 -0.2284 0.0000 C 0 0 0.9485 1.2716 0.0000 C 0 0 2.2488 2.0194 0.0000 C 0 0 3.5466 1.2673 0.0000 C 0 0 3.5441 -0.2327 0.0000 C 0 0 4.8491 2.0129 0.0000 O 0 0 3.5340 -4.7362 0.0000 C 0 0 5.0113 -4.4758 0.0000 C 0 0 5.9754 -5.6249 0.0000 C 0 0 5.4623 -7.0344 0.0000 C 0 0 3.9851 -7.2948 0.0000 C 0 0 3.0210 -6.1458 0.0000 C 0 0 -5.8859 -7.2870 0.0000 N 0 3 1 2 1 0 2 3 1 0 3 4 2 0 3 23 1 0 4 5 1 0 4 16 1 0 5 10 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 8 11 1 0 9 10 1 0 11 12 1 0 12 13 1 0 13 29 1 0 14 29 1 0 15 29 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 20 22 1 0 23 28 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 M CHG 1 29 1 M END > ZINC01585847 > 2 $$$$ SciTegic07110717562D 29 31 0 0 0 0 999 V2000 -0.8969 -10.1159 0.0000 C 0 0 0.0694 -8.9676 0.0000 C 0 0 -1.9185 -7.2930 0.0000 C 0 0 -2.4302 -5.8822 0.0000 C 0 0 0.5254 -6.4079 0.0000 C 0 0 0.0149 -4.9965 0.0000 C 0 0 0.9813 -3.8482 0.0000 O 0 0 0.4709 -2.4368 0.0000 C 0 0 -1.0063 -2.6973 0.0000 C 0 0 -1.9705 -1.5482 0.0000 C 0 0 -1.4575 -0.1387 0.0000 C 0 0 0.0197 0.1218 0.0000 C 0 0 0.9839 -1.0273 0.0000 C 0 0 -1.9679 1.2727 0.0000 C 0 0 -1.0016 2.4210 0.0000 C 0 0 -1.5120 3.8324 0.0000 C 0 0 -2.9892 4.0930 0.0000 C 0 0 -3.5022 5.5025 0.0000 C 0 0 -2.5380 6.6516 0.0000 C 0 0 -1.0608 6.3911 0.0000 C 0 0 -0.5478 4.9815 0.0000 C 0 0 0.1798 2.2106 0.0000 Cl 0 0 -3.4454 1.5359 0.0000 C 0 0 -3.9591 0.1265 0.0000 C 0 0 -5.4364 -0.1334 0.0000 C 0 0 -6.4002 1.0160 0.0000 C 0 0 -5.8866 2.4254 0.0000 C 0 0 -4.4093 2.6853 0.0000 C 0 0 -0.4410 -7.5562 0.0000 N 0 3 1 2 1 0 2 29 1 0 3 4 1 0 3 29 1 0 5 6 1 0 5 29 1 0 6 7 1 0 7 8 1 0 8 13 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 11 14 1 0 12 13 1 0 14 15 2 0 14 23 1 0 15 16 1 0 15 22 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 23 28 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 M CHG 1 29 1 M END > ZINC01530602 > 2 $$$$ SciTegic07110717562D 29 31 0 0 0 0 999 V2000 3.1554 -7.0242 0.0000 C 0 0 0.7147 -6.1306 0.0000 C 0 0 2.7084 -4.4629 0.0000 C 0 0 1.7461 -3.3113 0.0000 C 0 0 2.2614 -1.9017 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -1.8095 2.1614 0.0000 C 0 0 -3.2868 2.4260 0.0000 C 0 0 -3.7930 3.8389 0.0000 C 0 0 -5.2695 4.1079 0.0000 C 0 0 -5.6742 5.2376 0.0000 Cl 0 0 -4.2553 1.2795 0.0000 C 0 0 -3.7441 -0.1308 0.0000 C 0 0 -4.7098 -1.2786 0.0000 C 0 0 -6.1867 -1.0163 0.0000 C 0 0 -6.6979 0.3939 0.0000 C 0 0 -5.7322 1.5417 0.0000 C 0 0 -0.8421 3.3087 0.0000 C 0 0 0.6342 3.0428 0.0000 C 0 0 1.6027 4.1883 0.0000 C 0 0 1.0949 5.5997 0.0000 C 0 0 -0.3813 5.8657 0.0000 C 0 0 -1.3498 4.7203 0.0000 C 0 0 2.1931 -5.8725 0.0000 N 0 3 1 29 1 0 2 29 1 0 3 4 1 0 3 29 1 0 4 5 1 0 5 6 1 0 6 11 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 9 12 1 0 10 11 1 0 12 13 2 0 12 23 1 0 13 14 1 0 13 17 1 0 14 15 1 0 15 16 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 23 28 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 M CHG 1 29 1 M END > ZINC01531019 > 2 $$$$ SciTegic07110717562D 29 32 0 0 0 0 999 V2000 2.1783 2.6281 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 C 0 0 4.0896 0.0290 0.0000 C 0 0 4.7275 1.3885 0.0000 C 0 0 6.2225 1.5110 0.0000 C 0 0 7.0761 0.2776 0.0000 C 0 0 6.4347 -1.0783 0.0000 C 0 0 4.9397 -1.2009 0.0000 C 0 0 8.5721 0.3971 0.0000 O 0 0 2.1825 -2.6263 0.0000 C 0 0 1.1835 -3.7463 0.0000 C 0 0 1.6530 -5.1718 0.0000 C 0 0 0.6540 -6.2918 0.0000 C 0 0 1.1235 -7.7173 0.0000 C 0 0 0.1244 -8.8373 0.0000 C 0 0 1.6421 -9.2415 0.0000 C 0 0 2.9443 -9.9860 0.0000 C 0 0 2.6386 -11.4545 0.0000 C 0 0 1.1474 -11.6176 0.0000 C 0 0 -3.6187 -1.4919 0.0000 O 0 0 0.5939 -10.2628 0.0000 N 0 3 1 2 1 0 2 10 2 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 6 28 1 0 7 8 1 0 8 9 1 0 9 10 1 0 9 18 1 0 10 11 1 0 11 16 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 14 17 1 0 15 16 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 29 1 0 24 25 1 0 24 29 1 0 25 26 1 0 26 27 1 0 27 29 1 0 M CHG 1 29 1 M END > ZINC03815478 > 3 $$$$ SciTegic07110717562D 29 32 0 0 0 0 999 V2000 2.1783 2.6281 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 C 0 0 4.0896 0.0290 0.0000 C 0 0 4.7275 1.3885 0.0000 C 0 0 6.2225 1.5110 0.0000 C 0 0 7.0761 0.2776 0.0000 C 0 0 6.4347 -1.0783 0.0000 C 0 0 4.9397 -1.2009 0.0000 C 0 0 8.5721 0.3971 0.0000 O 0 0 2.1825 -2.6263 0.0000 C 0 0 1.1835 -3.7463 0.0000 C 0 0 1.6530 -5.1718 0.0000 C 0 0 0.6540 -6.2918 0.0000 C 0 0 1.1235 -7.7173 0.0000 C 0 0 0.1244 -8.8373 0.0000 C 0 0 1.6421 -9.2415 0.0000 C 0 0 2.9443 -9.9860 0.0000 C 0 0 2.6386 -11.4545 0.0000 C 0 0 1.1474 -11.6176 0.0000 C 0 0 -3.6217 1.4865 0.0000 O 0 0 0.5939 -10.2628 0.0000 N 0 3 1 2 1 0 2 10 2 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 5 28 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 1 0 9 18 1 0 10 11 1 0 11 16 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 14 17 1 0 15 16 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 29 1 0 24 25 1 0 24 29 1 0 25 26 1 0 26 27 1 0 27 29 1 0 M CHG 1 29 1 M END > ZINC01914469 > 3 $$$$ SciTegic07110717562D 30 33 0 0 0 0 999 V2000 2.5988 -1.5004 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 3 0 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 3 0 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 1 0 0 0 2.5987 1.5004 0.0000 C 0 0 2 0 0 0 2.6012 3.0005 0.0000 C 0 0 3.9014 3.7484 0.0000 C 0 0 3 0 0 0 5.1993 2.9963 0.0000 C 0 0 5.1969 1.4963 0.0000 C 0 0 2 0 0 0 6.4970 0.7465 0.0000 N 0 0 6.4942 -0.7543 0.0000 C 0 0 7.7969 1.4967 0.0000 C 0 0 9.0970 0.7469 0.0000 C 0 0 10.3969 1.4972 0.0000 C 0 0 3 0 0 0 10.3971 2.9972 0.0000 C 0 0 11.6963 3.7469 0.0000 C 0 0 12.9952 2.9967 0.0000 C 0 0 12.9949 1.4967 0.0000 C 0 0 11.6958 0.7469 0.0000 N 0 0 3.9038 5.2491 0.0000 C 0 0 2 0 0 0 5.2052 5.9951 0.0000 C 0 0 5.2100 7.4951 0.0000 C 0 0 3.9133 8.2492 0.0000 C 0 0 2.6119 7.5034 0.0000 C 0 0 2.6071 6.0034 0.0000 C 0 0 -2.6003 -1.4978 0.0000 O 0 0 3.8967 0.7484 0.0000 N 0 0 2 1 1 4 2 7 1 0 2 3 1 0 3 4 1 0 4 5 1 0 4 29 1 4 5 6 1 0 7 6 1 1 7 8 1 0 8 9 1 6 8 30 1 0 10 9 1 4 10 11 1 0 10 23 1 0 11 12 1 0 12 13 1 6 12 30 1 0 13 14 1 0 13 15 1 0 15 16 1 0 17 16 1 4 17 22 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 23 28 1 1 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 M END > ZINC03815475 > 4 $$$$ SciTegic07110717562D 30 33 0 0 0 0 999 V2000 5.2036 1.4982 0.0000 C 0 0 3.9026 0.7500 0.0000 C 0 0 3.8990 -0.7508 0.0000 N 0 0 2.5988 -1.5004 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 2 0 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 N 0 0 5.1988 -1.5012 0.0000 C 0 0 1 0 0 0 6.4994 -0.7539 0.0000 C 0 0 7.7969 -1.5066 0.0000 C 0 0 3 0 0 0 7.7939 -3.0066 0.0000 C 0 0 6.4933 -3.7539 0.0000 C 0 0 1 0 0 0 6.4903 -5.2547 0.0000 C 0 0 2 0 0 0 7.7890 -6.0054 0.0000 C 0 0 7.7883 -7.5054 0.0000 C 0 0 6.4889 -8.2548 0.0000 C 0 0 3 0 0 0 5.1902 -7.5042 0.0000 C 0 0 5.1909 -6.0042 0.0000 C 0 0 3 0 0 0 3.8914 -5.2533 0.0000 C 0 0 6.4852 -9.7556 0.0000 O 0 0 9.0981 -0.7588 0.0000 C 0 0 2 0 0 0 10.3945 -1.5135 0.0000 C 0 0 11.6963 -0.7682 0.0000 C 0 0 11.7017 0.7318 0.0000 C 0 0 10.4054 1.4865 0.0000 C 0 0 9.1037 0.7412 0.0000 C 0 0 5.1958 -3.0013 0.0000 N 0 0 1 2 1 0 2 3 1 0 3 4 1 0 11 3 1 1 5 4 1 6 5 10 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 11 12 1 0 11 30 1 0 13 12 1 4 13 14 1 0 13 24 1 0 15 14 1 1 15 16 1 0 15 30 1 0 16 21 1 0 16 17 1 6 17 18 1 0 18 19 1 0 19 20 1 0 19 23 1 4 20 21 1 0 21 22 1 4 24 29 1 1 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 M END > ZINC03815474 > 5 $$$$ SciTegic07110717562D 30 33 0 0 0 0 999 V2000 0.0063 -6.0090 0.0000 C 0 0 1.3043 -5.2555 0.0000 C 0 0 1.3017 -3.7547 0.0000 C 0 0 2.5997 -3.0013 0.0000 N 0 0 2.5988 -1.5004 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 2 0 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 N 0 0 3.8995 -3.7516 0.0000 C 0 0 1 0 0 0 5.1987 -3.0016 0.0000 C 0 0 6.4978 -3.7514 0.0000 C 0 0 3 0 0 0 6.4979 -5.2514 0.0000 C 0 0 5.1989 -6.0016 0.0000 C 0 0 1 0 0 0 5.1991 -7.5023 0.0000 C 0 0 2 0 0 0 6.4994 -8.2502 0.0000 C 0 0 6.5019 -9.7502 0.0000 C 0 0 5.2041 -10.5024 0.0000 C 0 0 3 0 0 0 3.9038 -9.7546 0.0000 C 0 0 3.9013 -8.2546 0.0000 C 0 0 5.2035 -12.0033 0.0000 O 0 0 7.7974 -3.0010 0.0000 C 0 0 2 0 0 0 9.0954 -3.7529 0.0000 C 0 0 10.3956 -3.0048 0.0000 C 0 0 10.3978 -1.5048 0.0000 C 0 0 9.0999 -0.7529 0.0000 C 0 0 7.7998 -1.5009 0.0000 C 0 0 3.8998 -5.2517 0.0000 N 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 12 4 1 1 6 5 1 6 6 11 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 12 13 1 0 12 30 1 0 14 13 1 4 14 15 1 0 14 24 1 0 16 15 1 1 16 17 1 0 16 30 1 0 17 22 1 6 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 20 23 1 4 21 22 1 0 24 29 1 1 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 M END > ZINC03815467 > 5 $$$$ SciTegic07110717562D 31 34 0 0 0 0 999 V2000 0.0063 -6.0090 0.0000 C 0 0 1.3043 -5.2555 0.0000 C 0 0 1.3017 -3.7547 0.0000 C 0 0 2.5997 -3.0013 0.0000 N 0 0 2.5988 -1.5004 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 2 0 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 N 0 0 3.8995 -3.7516 0.0000 C 0 0 1 0 0 0 5.1987 -3.0016 0.0000 C 0 0 6.4978 -3.7514 0.0000 C 0 0 3 0 0 0 6.4979 -5.2514 0.0000 C 0 0 5.1989 -6.0016 0.0000 C 0 0 1 0 0 0 5.1991 -7.5023 0.0000 C 0 0 2 0 0 0 6.4994 -8.2502 0.0000 C 0 0 6.5019 -9.7502 0.0000 C 0 0 5.2041 -10.5024 0.0000 C 0 0 3 0 0 0 3.9038 -9.7546 0.0000 C 0 0 3.9013 -8.2546 0.0000 C 0 0 3 0 0 0 2.6003 -7.5064 0.0000 C 0 0 5.2035 -12.0033 0.0000 O 0 0 7.7974 -3.0010 0.0000 C 0 0 2 0 0 0 9.0954 -3.7529 0.0000 C 0 0 10.3956 -3.0048 0.0000 C 0 0 10.3978 -1.5048 0.0000 C 0 0 9.0999 -0.7529 0.0000 C 0 0 7.7998 -1.5009 0.0000 C 0 0 3.8998 -5.2517 0.0000 N 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 12 4 1 1 6 5 1 6 6 11 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 12 13 1 0 12 31 1 0 14 13 1 4 14 15 1 0 14 25 1 0 16 15 1 1 16 17 1 0 16 31 1 0 17 22 1 0 17 18 1 6 18 19 1 0 19 20 1 0 20 21 1 0 20 24 1 4 21 22 1 0 22 23 1 4 25 30 1 1 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 M END > ZINC03815464 > 5 $$$$ SciTegic07110717562D 31 35 0 0 0 0 999 V2000 -6.5078 3.0010 0.0000 C 0 0 -5.2092 3.7519 0.0000 C 0 0 -3.9097 3.0028 0.0000 C 0 0 -3.9086 1.5029 0.0000 C 0 0 -5.2071 0.7519 0.0000 C 0 0 -6.5067 1.5010 0.0000 C 0 0 -2.9473 0.3504 0.0000 C 0 0 -1.4559 0.6042 0.0000 C 0 0 -0.4937 -0.5427 0.0000 C 0 0 0.9806 -0.2826 0.0000 C 0 0 1.9428 -1.4295 0.0000 C 0 0 1.4307 -2.8365 0.0000 C 0 0 -0.0436 -3.0966 0.0000 C 0 0 -1.0058 -1.9497 0.0000 C 0 0 -2.4801 -2.2098 0.0000 C 0 0 -3.4594 -1.0566 0.0000 C 0 0 2.3931 -3.9882 0.0000 O 0 0 -0.9383 2.0129 0.0000 C 0 0 -1.8983 3.1655 0.0000 C 0 0 -1.3803 4.5732 0.0000 C 0 0 0.0978 4.8285 0.0000 C 0 0 1.0579 3.6761 0.0000 C 0 0 0.5400 2.2684 0.0000 C 0 0 0.6190 6.2360 0.0000 O 0 0 2.0982 6.4893 0.0000 C 0 0 2.6194 7.8967 0.0000 C 0 0 3.6877 6.7454 0.0000 C 0 0 4.9558 5.9441 0.0000 C 0 0 6.1097 6.9024 0.0000 C 0 0 5.5549 8.2960 0.0000 C 0 0 4.0987 8.1501 0.0000 N 0 3 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 16 1 0 7 8 2 0 8 9 1 0 8 18 1 0 9 14 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 12 17 1 0 13 14 1 0 14 15 1 0 15 16 1 0 18 23 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 21 24 1 0 22 23 1 0 24 25 1 0 25 26 1 0 26 31 1 0 27 28 1 0 27 31 1 0 28 29 1 0 29 30 1 0 30 31 1 0 M CHG 1 31 1 M END > ZINC03815477 > 6 $$$$ SciTegic07110717562D 32 36 0 0 0 0 999 V2000 -5.2109 0.7445 0.0000 C 0 0 -3.9122 1.4966 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 1.8097 -2.9075 0.0000 C 0 0 0.8437 -4.0551 0.0000 C 0 0 1.3544 -5.4655 0.0000 C 0 0 2.8312 -5.7284 0.0000 C 0 0 3.7972 -4.5809 0.0000 C 0 0 3.2865 -3.1705 0.0000 C 0 0 3.3451 -7.1385 0.0000 O 0 0 4.8230 -7.3995 0.0000 C 0 0 5.3369 -8.8096 0.0000 C 0 0 6.4112 -7.6638 0.0000 C 0 0 7.6833 -6.8690 0.0000 C 0 0 8.8323 -7.8332 0.0000 C 0 0 8.2703 -9.2240 0.0000 C 0 0 4.0708 -1.0092 0.0000 C 0 0 5.0333 0.1414 0.0000 C 0 0 6.5109 -0.1167 0.0000 C 0 0 7.0262 -1.5254 0.0000 C 0 0 6.0638 -2.6760 0.0000 C 0 0 4.5862 -2.4179 0.0000 C 0 0 6.8149 -9.0705 0.0000 N 0 3 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 12 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 11 26 1 0 12 13 1 0 13 18 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 16 19 1 0 17 18 1 0 19 20 1 0 20 21 1 0 21 32 1 0 22 23 1 0 22 32 1 0 23 24 1 0 24 25 1 0 25 32 1 0 26 31 2 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 2 0 30 31 1 0 M CHG 1 32 1 M END > ZINC03815452 > 6 $$$$ SciTegic07110717562D 33 37 0 0 0 0 999 V2000 -3.9159 1.8449 0.0000 C 0 0 -2.6173 2.5958 0.0000 C 0 0 -1.3178 1.8467 0.0000 C 0 0 -1.3167 0.3468 0.0000 C 0 0 -2.6152 -0.4042 0.0000 C 0 0 -3.9148 0.3449 0.0000 C 0 0 -0.8076 -1.0650 0.0000 C 0 0 0.6807 -1.3365 0.0000 C 0 0 1.1926 -2.7434 0.0000 C 0 0 2.6670 -3.0032 0.0000 C 0 0 3.1789 -4.4100 0.0000 C 0 0 2.2165 -5.5570 0.0000 C 0 0 0.7421 -5.2972 0.0000 C 0 0 0.2302 -3.8903 0.0000 C 0 0 -1.2441 -3.6305 0.0000 O 0 0 -1.7700 -2.2120 0.0000 C 0 0 2.7269 -6.9684 0.0000 O 0 0 1.6522 -0.1925 0.0000 C 0 0 3.1289 -0.4608 0.0000 C 0 0 3.6492 0.9461 0.0000 C 0 0 5.1277 1.1989 0.0000 C 0 0 6.0860 0.0448 0.0000 C 0 0 5.5656 -1.3620 0.0000 C 0 0 4.0871 -1.6149 0.0000 C 0 0 7.3803 -0.7150 0.0000 O 0 0 8.6859 0.0252 0.0000 C 0 0 9.9802 -0.7346 0.0000 C 0 0 10.3159 1.1229 0.0000 C 0 0 10.8398 2.5285 0.0000 C 0 0 12.3190 2.7775 0.0000 C 0 0 13.2743 1.6211 0.0000 C 0 0 12.7504 0.2155 0.0000 C 0 0 11.2858 0.0055 0.0000 N 0 3 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 16 1 0 7 8 2 0 8 9 1 0 8 18 1 0 9 14 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 12 17 1 0 13 14 1 0 14 15 1 0 15 16 1 0 18 19 1 0 19 24 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 22 25 1 0 23 24 1 0 25 26 1 0 26 27 1 0 27 33 1 0 28 29 1 0 28 33 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 M CHG 1 33 1 M END > ZINC03815462 > 7 $$$$ SciTegic07110717562D 33 37 0 0 0 0 999 V2000 -6.4132 3.8589 0.0000 C 0 0 -5.1376 4.6481 0.0000 C 0 0 -5.1831 6.1474 0.0000 C 0 0 -6.5044 6.8576 0.0000 C 0 0 -7.7800 6.0684 0.0000 C 0 0 -7.7345 4.5691 0.0000 C 0 0 -9.2039 4.2637 0.0000 C 0 0 -9.6744 2.8409 0.0000 C 0 0 -11.0817 2.4053 0.0000 C 0 0 -11.1010 0.9027 0.0000 C 0 0 -9.6855 0.4268 0.0000 C 0 0 -8.7993 1.6309 0.0000 C 0 0 -7.3029 1.4802 0.0000 C 0 0 -6.6996 0.0854 0.0000 C 0 0 -7.5858 -1.1186 0.0000 C 0 0 -9.0969 -0.9572 0.0000 C 0 0 -6.9775 -2.4907 0.0000 O 0 0 -12.2839 3.3036 0.0000 C 0 0 -11.9917 4.7766 0.0000 C 0 0 -13.1231 5.7614 0.0000 C 0 0 -14.5417 5.2741 0.0000 C 0 0 -14.8289 3.8018 0.0000 C 0 0 -13.6976 2.8170 0.0000 C 0 0 -15.6757 6.2572 0.0000 O 0 0 -3.9084 6.9396 0.0000 O 0 0 -3.9561 8.4396 0.0000 C 0 0 -2.6814 9.2318 0.0000 C 0 0 -0.9325 9.9420 0.0000 C 0 0 0.5353 10.2514 0.0000 C 0 0 1.5371 9.1350 0.0000 C 0 0 1.0712 7.7092 0.0000 C 0 0 -0.3965 7.3998 0.0000 C 0 0 -1.3576 8.5248 0.0000 N 0 3 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 25 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 1 0 8 12 1 0 8 9 2 0 9 10 1 0 9 18 1 0 10 11 1 0 11 16 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 15 17 1 0 18 23 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 21 24 1 0 22 23 1 0 25 26 1 0 26 27 1 0 27 33 1 0 28 29 1 0 28 33 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 M CHG 1 33 1 M END > ZINC03815454 > 8 $$$$