SciTegic07110717162D 18 17 0 0 0 0 999 V2000 0.2606 0.1503 0.0000 C 0 0 1.3000 0.7500 0.0000 N 0 3 1 0 0 0 1.3000 1.9500 0.0000 C 0 0 1.3000 -0.4500 0.0000 C 0 0 2.6000 0.0000 0.0000 C 0 0 3.9000 0.7500 0.0000 C 0 0 5.2000 0.0000 0.0000 C 0 0 6.5000 0.7500 0.0000 C 0 0 7.7999 0.0000 0.0000 C 0 0 9.0999 0.7500 0.0000 C 0 0 10.3999 0.0000 0.0000 C 0 0 11.6999 0.7500 0.0000 C 0 0 12.9999 0.0000 0.0000 C 0 0 14.2999 0.7500 0.0000 C 0 0 15.5999 0.0000 0.0000 N 0 3 1 0 0 0 16.6393 0.5997 0.0000 C 0 0 15.5999 -1.2000 0.0000 C 0 0 16.6390 -0.6002 0.0000 C 0 0 2 1 1 6 2 3 1 0 2 4 1 0 2 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 1 15 17 1 0 15 18 1 0 M CHG 2 2 1 15 1 M END > ZINC01532339 > 0 $$$$ SciTegic07110717162D 12 12 0 0 0 0 999 V2000 3.6390 -3.6012 0.0000 C 0 0 2.5997 -3.0012 0.0000 C 0 0 2.5988 -1.5004 0.0000 N 0 3 2 0 0 0 3.6378 -0.9001 0.0000 C 0 0 1.5598 -2.1007 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 2.7000 0.0000 O 0 0 1 2 1 0 2 3 1 0 3 4 1 1 3 5 1 0 3 6 1 0 6 11 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 10 12 1 0 M CHG 1 3 1 M END > ZINC00001341 > 1 $$$$ SciTegic07110717162D 14 14 0 0 0 0 999 V2000 6.2253 -8.1139 0.0000 C 0 0 5.1873 -7.5117 0.0000 C 0 0 5.1894 -6.0109 0.0000 C 0 0 3.8912 -5.2578 0.0000 C 0 0 3.8933 -3.7570 0.0000 N 0 0 2.5951 -3.0039 0.0000 C 0 0 1.5548 -3.6021 0.0000 O 0 0 2.5973 -1.5031 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 14 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 M END > ZINC01717164 > 1 $$$$ SciTegic07110717162D 15 15 0 0 0 0 999 V2000 6.2253 -8.1139 0.0000 C 0 0 5.1873 -7.5117 0.0000 C 0 0 5.1894 -6.0109 0.0000 C 0 0 3.8912 -5.2578 0.0000 C 0 0 3.8933 -3.7570 0.0000 N 0 0 2.5951 -3.0039 0.0000 C 0 0 1.5548 -3.6021 0.0000 O 0 0 2.5973 -1.5031 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 2.7000 0.0000 Cl 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 14 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 13 15 1 0 M END > ZINC03814209 > 1 $$$$ SciTegic07110717162D 15 15 0 0 0 0 999 V2000 6.2253 -8.1139 0.0000 C 0 0 5.1873 -7.5117 0.0000 C 0 0 5.1894 -6.0109 0.0000 C 0 0 3.8912 -5.2578 0.0000 C 0 0 3.8933 -3.7570 0.0000 N 0 0 2.5951 -3.0039 0.0000 C 0 0 1.5548 -3.6021 0.0000 O 0 0 2.5973 -1.5031 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.3383 1.3500 0.0000 Cl 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 14 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 12 15 1 0 13 14 1 0 M END > ZINC03814208 > 1 $$$$ SciTegic07110717162D 16 16 0 0 0 0 999 V2000 6.2253 -8.1139 0.0000 C 0 0 5.1873 -7.5117 0.0000 C 0 0 5.1894 -6.0109 0.0000 C 0 0 3.8912 -5.2578 0.0000 C 0 0 3.8933 -3.7570 0.0000 N 0 0 2.5951 -3.0039 0.0000 C 0 0 1.5548 -3.6021 0.0000 O 0 0 2.5973 -1.5031 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0031 3.0008 0.0000 O 0 0 1.0432 3.5994 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 14 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 13 15 1 0 15 16 1 0 M END > ZINC03814207 > 1 $$$$ SciTegic07110717162D 16 16 0 0 0 0 999 V2000 6.2253 -8.1139 0.0000 C 0 0 5.1873 -7.5117 0.0000 C 0 0 5.1894 -6.0109 0.0000 C 0 0 3.8912 -5.2578 0.0000 C 0 0 3.8933 -3.7570 0.0000 N 0 0 2.5951 -3.0039 0.0000 C 0 0 1.5548 -3.6021 0.0000 O 0 0 2.5973 -1.5031 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5973 1.5031 0.0000 O 0 0 -2.5956 2.7031 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 14 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 12 15 1 0 13 14 1 0 15 16 1 0 M END > ZINC03814205 > 1 $$$$ SciTegic07110717162D 16 16 0 0 0 0 999 V2000 3.8916 -4.9570 0.0000 C 0 0 3.8933 -3.7570 0.0000 N 0 0 4.9336 -3.1588 0.0000 C 0 0 2.5951 -3.0039 0.0000 C 0 0 1.5548 -3.6021 0.0000 O 0 0 2.5973 -1.5031 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 3.0008 0.0000 N 0 3 1 0 0 0 -1.0389 3.6015 0.0000 C 0 0 1.0394 3.6005 0.0000 C 0 0 0.0005 4.2008 0.0000 C 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 2 0 4 6 1 0 6 7 1 0 7 12 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 11 13 1 0 13 14 1 1 13 15 1 0 13 16 1 0 M CHG 1 13 1 M END > ZINC00001792 > 1 $$$$ SciTegic07110717162D 17 17 0 0 0 0 999 V2000 3.8916 -4.9570 0.0000 C 0 0 3.8933 -3.7570 0.0000 C 0 0 2 0 0 0 4.9336 -3.1588 0.0000 C 0 0 2.8531 -4.3552 0.0000 C 0 0 2.5951 -3.0039 0.0000 N 0 0 2.5973 -1.5031 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5988 1.5004 0.0000 S 0 0 1 0 0 0 3.6384 0.9011 0.0000 O 0 0 2.5984 2.7004 0.0000 O 0 0 1.5548 -3.6021 0.0000 O 0 0 3.6377 2.1009 0.0000 O 0 0 2 1 1 6 2 3 1 0 2 4 1 0 2 5 1 0 5 6 2 0 5 16 1 0 6 7 1 0 7 12 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 2 0 13 15 2 0 13 17 1 1 M END > ZINC01903720 > 1 $$$$ SciTegic07110717162D 17 17 0 0 0 0 999 V2000 6.2253 -8.1139 0.0000 C 0 0 5.1873 -7.5117 0.0000 C 0 0 5.1894 -6.0109 0.0000 C 0 0 3.8912 -5.2578 0.0000 C 0 0 3.8933 -3.7570 0.0000 N 0 0 2.5951 -3.0039 0.0000 C 0 0 1.5548 -3.6021 0.0000 O 0 0 2.5973 -1.5031 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0031 3.0008 0.0000 N 0 3 1.0432 3.5994 0.0000 O 0 0 -1.0351 3.6026 0.0000 O 0 5 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 14 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 13 15 1 0 15 16 2 0 15 17 1 0 M CHG 2 15 1 17 -1 M END > ZINC02156329 > 1 $$$$ SciTegic07110717162D 17 17 0 0 0 0 999 V2000 6.2253 -8.1139 0.0000 C 0 0 5.1873 -7.5117 0.0000 C 0 0 5.1894 -6.0109 0.0000 C 0 0 3.8912 -5.2578 0.0000 C 0 0 3.8933 -3.7570 0.0000 N 0 0 2.5951 -3.0039 0.0000 C 0 0 1.5548 -3.6021 0.0000 O 0 0 2.5973 -1.5031 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5973 1.5031 0.0000 N 0 3 -2.5956 2.7031 0.0000 O 0 0 -3.6375 0.9049 0.0000 O 0 5 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 14 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 12 15 1 0 13 14 1 0 15 16 2 0 15 17 1 0 M CHG 2 15 1 17 -1 M END > ZINC03814213 > 1 $$$$ SciTegic07110717162D 17 17 0 0 0 0 999 V2000 6.2253 -8.1139 0.0000 C 0 0 5.1873 -7.5117 0.0000 C 0 0 6.4889 -5.2601 0.0000 C 0 0 6.4893 -4.0601 0.0000 C 0 0 3.8912 -5.2578 0.0000 C 0 0 3.8933 -3.7570 0.0000 C 0 0 2.5951 -3.0039 0.0000 N 0 0 2.5973 -1.5031 0.0000 C 0 0 3.6375 -0.9049 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.3383 1.3500 0.0000 N 0 0 5.1894 -6.0109 0.0000 N 0 3 1 2 1 0 2 17 1 0 3 4 1 0 3 17 1 0 5 6 1 0 5 17 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 13 16 1 0 14 15 1 0 M CHG 1 17 1 M END > ZINC01530756 > 1 $$$$ SciTegic07110717162D 18 18 0 0 0 0 999 V2000 6.2253 -8.1139 0.0000 C 0 0 5.1873 -7.5117 0.0000 C 0 0 5.1894 -6.0109 0.0000 C 0 0 3.8912 -5.2578 0.0000 C 0 0 3.8933 -3.7570 0.0000 N 0 0 2.5951 -3.0039 0.0000 C 0 0 1.5548 -3.6021 0.0000 O 0 0 2.5973 -1.5031 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 3.0008 0.0000 C 0 0 1 0 0 0 -1.0389 3.6015 0.0000 F 0 0 1.0394 3.6005 0.0000 F 0 0 0.0005 4.2008 0.0000 F 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 14 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 13 15 1 0 15 16 1 1 15 17 1 0 15 18 1 0 M END > ZINC03814210 > 1 $$$$ SciTegic07110717162D 18 18 0 0 0 0 999 V2000 6.2253 -8.1139 0.0000 C 0 0 5.1873 -7.5117 0.0000 C 0 0 5.1894 -6.0109 0.0000 C 0 0 3.8912 -5.2578 0.0000 C 0 0 3.8933 -3.7570 0.0000 N 0 0 2.5951 -3.0039 0.0000 C 0 0 1.5548 -3.6021 0.0000 O 0 0 2.5973 -1.5031 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5988 1.5004 0.0000 C 0 0 1 0 0 0 -3.6384 0.9011 0.0000 F 0 0 -2.5984 2.7004 0.0000 F 0 0 -3.6377 2.1009 0.0000 F 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 14 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 12 15 1 0 13 14 1 0 15 16 1 1 15 17 1 0 15 18 1 0 M END > ZINC03814211 > 1 $$$$ SciTegic07110717162D 27 27 0 0 0 0 999 V2000 4.9292 -5.8600 0.0000 C 0 0 3.8912 -5.2578 0.0000 N 0 3 2 0 0 0 2.8509 -5.8560 0.0000 C 0 0 4.9315 -4.6596 0.0000 C 0 0 3.8933 -3.7570 0.0000 C 0 0 2.5951 -3.0039 0.0000 C 0 0 2.5973 -1.5031 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5972 1.5031 0.0000 O 0 0 2.5951 3.0039 0.0000 C 0 0 3.8933 3.7570 0.0000 C 0 0 3.8912 5.2578 0.0000 N 0 3 1 0 0 0 4.9291 5.8600 0.0000 C 0 0 2.8509 5.8560 0.0000 C 0 0 3.8889 6.4578 0.0000 C 0 0 -0.0031 3.0008 0.0000 O 0 0 -1.3039 3.7494 0.0000 C 0 0 -1.3070 5.2502 0.0000 C 0 0 -2.6078 5.9988 0.0000 N 0 3 1 0 0 0 -2.6103 7.1988 0.0000 C 0 0 -3.6460 5.3969 0.0000 C 0 0 -3.6482 6.5968 0.0000 C 0 0 2 1 1 1 2 3 1 0 2 4 1 0 2 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 13 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 12 21 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 6 17 19 1 0 17 20 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 6 24 26 1 0 24 27 1 0 M CHG 3 2 1 17 1 24 1 M END > ZINC03814214 > 1 $$$$ SciTegic07110717162D 14 15 0 0 0 0 999 V2000 4.4505 2.0415 0.0000 C 0 0 3.6500 2.9355 0.0000 C 0 0 2 0 0 0 2.1812 2.6271 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 -3.3560 1.3452 0.0000 O 0 0 4.0244 4.0756 0.0000 N 0 3 2 1 1 6 2 3 1 0 2 14 1 0 3 4 1 0 4 8 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 12 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 10 13 1 0 11 12 1 0 M CHG 1 14 1 M END > ZINC02012157 > 2 $$$$ SciTegic07110717162D 14 15 0 0 0 0 999 V2000 3.7889 0.0269 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 -3.3560 1.3452 0.0000 O 0 0 2.1812 2.6271 0.0000 C 0 0 3.6500 2.9355 0.0000 C 0 0 4.0244 4.0756 0.0000 N 0 3 1 2 1 0 2 10 1 0 2 3 2 0 3 4 1 0 3 12 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 6 11 1 0 7 8 2 0 8 9 1 0 9 10 1 0 12 13 1 0 13 14 1 0 M CHG 1 14 1 M END > ZINC02572146 > 2 $$$$ SciTegic07110717162D 14 15 0 0 0 0 999 V2000 5.2926 4.6080 0.0000 C 0 0 3.6500 2.9355 0.0000 C 0 0 2.1812 2.6271 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 -3.3560 1.3452 0.0000 O 0 0 4.1182 4.3614 0.0000 N 0 3 1 14 1 0 2 3 1 0 2 14 1 0 3 4 1 0 4 8 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 12 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 10 13 1 0 11 12 1 0 M CHG 1 14 1 M END > ZINC01592424 > 2 $$$$ SciTegic07110717162D 15 17 0 0 0 0 999 V2000 -3.8968 0.7501 0.0000 C 0 0 -3.8968 -0.7501 0.0000 C 0 0 -2.5978 -1.5002 0.0000 C 0 0 -1.2989 -0.7501 0.0000 C 0 0 3 0 0 0 -1.2989 0.7501 0.0000 C 0 0 3 0 0 0 -2.5978 1.5002 0.0000 C 0 0 0.0000 1.5002 0.0000 C 0 0 3 0 0 0 1.2806 0.7501 0.0000 C 0 0 3 0 0 0 1.2806 -0.7501 0.0000 C 0 0 1 0 0 0 2.5978 -1.5002 0.0000 C 0 0 3.8968 -0.7501 0.0000 C 0 0 3.8968 0.7501 0.0000 C 0 0 2.5978 1.5002 0.0000 C 0 0 0.0037 2.7002 0.0000 N 0 0 0.0000 -1.5002 0.0000 N 0 0 1 6 1 0 1 2 1 0 2 3 1 0 4 3 1 4 4 5 1 0 4 15 1 0 5 6 1 4 5 7 1 0 7 8 1 0 7 14 1 4 8 13 1 4 8 9 1 0 9 10 1 1 9 15 1 0 10 11 1 0 11 12 1 0 12 13 1 0 M END > ZINC03795925 > 3 $$$$ SciTegic07110717162D 16 18 0 0 0 0 999 V2000 0.8668 -1.9800 0.0000 C 0 0 0.8600 -0.7800 0.0000 C 0 0 -0.5500 -0.1100 0.0000 C 0 0 -0.8800 1.4100 0.0000 C 0 0 0.0900 2.6200 0.0000 C 0 0 1.6200 2.6200 0.0000 C 0 0 2.5800 1.3900 0.0000 C 0 0 4.1200 1.5500 0.0000 N 0 0 4.7500 0.1400 0.0000 C 0 0 3.6000 -0.9000 0.0000 N 0 0 2.2500 -0.1000 0.0000 C 0 0 5.9242 -0.1074 0.0000 N 0 0 -2.4400 1.5400 0.0000 N 0 0 -3.0300 0.1100 0.0000 C 0 0 -1.8700 -0.9000 0.0000 N 0 0 -4.1980 -0.1654 0.0000 N 0 0 1 2 1 0 2 11 2 0 2 3 1 0 3 15 1 0 3 4 2 0 4 5 1 0 4 13 1 0 5 6 2 0 6 7 1 0 7 11 1 0 7 8 2 0 8 9 1 0 9 10 2 0 9 12 1 0 10 11 1 0 13 14 2 0 14 15 1 0 14 16 1 0 M END > ZINC03814212 > 4 $$$$ SciTegic07110717162D 20 21 0 0 0 0 999 V2000 2.8509 -5.8560 0.0000 C 0 0 3.8912 -5.2578 0.0000 C 0 0 4.9292 -5.8600 0.0000 O 0 0 3.8933 -3.7570 0.0000 N 0 0 4.9336 -3.1588 0.0000 C 0 0 2.5951 -3.0039 0.0000 C 0 0 2.5973 -1.5031 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 1 0 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5973 1.5031 0.0000 C 0 0 -2.5951 3.0039 0.0000 C 0 0 -1.2935 3.7495 0.0000 C 0 0 -1.2883 5.2495 0.0000 C 0 0 -2.5847 6.0040 0.0000 C 0 0 -3.8864 5.2585 0.0000 C 0 0 -3.8916 3.7585 0.0000 C 0 0 -1.2990 0.7500 0.0000 N 0 3 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 4 6 1 0 6 7 1 0 8 7 1 1 8 12 1 0 8 9 1 0 9 10 1 0 10 20 1 0 11 12 1 0 11 20 1 0 13 14 1 0 13 20 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 M CHG 1 20 1 M END > ZINC03814249 > 5 $$$$ SciTegic07110717162D 20 22 0 0 0 0 999 V2000 -0.0785 1.5088 0.0000 C 0 0 0.3010 0.3704 0.0000 C 0 0 1 0 0 0 1.5048 1.2733 0.0000 C 0 0 2.7318 0.3704 0.0000 C 0 0 0.7408 -1.0186 0.0000 C 0 0 1 0 0 0 -0.4399 -1.9215 0.0000 N 0 0 -1.6669 -1.0186 0.0000 C 0 0 -1.2039 0.3704 0.0000 C 0 0 -2.2225 1.5280 0.0000 C 0 0 -3.6810 1.1807 0.0000 C 0 0 -4.1672 0.0000 0.0000 C 0 0 -3.1485 -1.3659 0.0000 C 0 0 -4.7140 2.2725 0.0000 O 0 0 -6.1738 1.9239 0.0000 C 0 0 -6.5157 0.7736 0.0000 O 0 0 -7.2063 3.0132 0.0000 N 0 0 -8.3735 2.7344 0.0000 C 0 0 -0.4288 -3.1215 0.0000 C 0 0 2.9704 -1.9921 0.0000 C 0 0 2.2688 -1.0186 0.0000 N 0 3 2 1 1 1 2 5 1 0 2 8 1 0 2 3 1 0 3 4 1 0 4 20 1 0 5 6 1 6 5 20 1 0 6 7 1 0 6 18 1 0 7 12 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 10 13 1 0 11 12 1 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 19 20 1 0 M CHG 1 20 1 M END > ZINC03814203 > 6 $$$$ SciTegic07110717162D 21 24 0 0 0 0 999 V2000 7.0095 1.6800 0.0000 C 0 0 5.9263 2.1963 0.0000 C 0 0 4.6900 1.3500 0.0000 C 0 0 4.6900 -0.5200 0.0000 C 0 0 3.1300 -1.0300 0.0000 C 0 0 2 0 0 0 1.8000 -1.8100 0.0000 C 0 0 0.4700 -1.0300 0.0000 C 0 0 2 0 0 0 0.4700 0.4800 0.0000 C 0 0 3 0 0 0 -0.8400 1.2400 0.0000 C 0 0 3 0 0 0 -2.1500 0.4800 0.0000 C 0 0 3 0 0 0 -3.4800 1.2400 0.0000 C 0 0 -4.8300 0.4800 0.0000 C 0 0 -4.8300 -1.0300 0.0000 C 0 0 3 0 0 0 -3.4800 -1.8100 0.0000 C 0 0 -2.1500 -1.0300 0.0000 C 0 0 3 0 0 0 -5.8693 -1.6298 0.0000 Cl 0 0 -0.8400 2.4400 0.0000 N 0 0 1.8000 1.2400 0.0000 C 0 0 1 0 0 0 3.1300 0.4800 0.0000 C 0 0 3.3600 2.0400 0.0000 C 0 0 -0.8400 -1.8100 0.0000 N 0 0 1 2 1 0 2 3 1 0 3 20 1 0 3 4 2 0 5 4 1 6 5 19 1 0 5 6 1 0 7 6 1 1 8 7 1 4 7 21 1 0 8 9 1 0 8 18 1 0 9 10 1 0 9 17 1 4 10 15 1 0 10 11 1 4 11 12 1 0 12 13 1 0 13 14 1 0 13 16 1 4 15 14 1 4 15 21 1 0 18 19 1 1 18 20 1 0 M END > ZINC01663056 > 7 $$$$ SciTegic07110717162D 22 24 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5973 1.5031 0.0000 C 0 0 -3.8915 3.7585 0.0000 C 0 0 -3.8864 5.2585 0.0000 C 0 0 -2.5847 6.0040 0.0000 C 0 0 1 0 0 0 -1.2883 5.2495 0.0000 C 0 0 -1.2935 3.7495 0.0000 C 0 0 -2.5827 7.5048 0.0000 C 0 0 -3.8809 8.2579 0.0000 C 0 0 -3.8788 9.7587 0.0000 N 0 0 -2.5772 10.5043 0.0000 C 0 0 -2.5720 12.0043 0.0000 C 0 0 -3.8685 12.7588 0.0000 C 0 0 -5.1701 12.0132 0.0000 C 0 0 -5.1752 10.5132 0.0000 C 0 0 -6.2165 9.9168 0.0000 O 0 0 -2.5951 3.0039 0.0000 N 0 3 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 22 1 0 8 9 1 0 8 22 1 0 9 10 1 0 10 11 1 0 10 13 1 6 11 12 1 0 12 22 1 0 13 14 1 0 14 15 1 0 15 20 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 M CHG 1 22 1 M END > ZINC03814250 > 8 $$$$ SciTegic07110717162D 24 26 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5973 1.5031 0.0000 C 0 0 -3.8915 3.7585 0.0000 C 0 0 -3.8864 5.2585 0.0000 C 0 0 -2.5847 6.0040 0.0000 C 0 0 1 0 0 0 -1.2883 5.2495 0.0000 C 0 0 -1.2935 3.7495 0.0000 C 0 0 -2.5827 7.5048 0.0000 C 0 0 -3.8809 8.2579 0.0000 C 0 0 -3.8788 9.7587 0.0000 N 0 0 -5.1770 10.5117 0.0000 C 0 0 -6.2173 9.9135 0.0000 O 0 0 -5.1749 12.0126 0.0000 C 0 0 -3.8733 12.7582 0.0000 C 0 0 -3.8681 14.2582 0.0000 C 0 0 -5.1646 15.0126 0.0000 C 0 0 -6.4662 14.2671 0.0000 C 0 0 -6.4714 12.7671 0.0000 N 0 0 -2.5951 3.0039 0.0000 N 0 3 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 24 1 0 8 9 1 0 8 24 1 0 9 10 1 0 10 11 1 0 10 13 1 6 11 12 1 0 12 24 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 23 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 M CHG 1 24 1 M END > ZINC03814269 > 9 $$$$ SciTegic07110717162D 24 26 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5973 1.5031 0.0000 C 0 0 -3.8915 3.7585 0.0000 C 0 0 -3.8864 5.2585 0.0000 C 0 0 -2.5847 6.0040 0.0000 C 0 0 1 0 0 0 -1.2883 5.2495 0.0000 C 0 0 -1.2935 3.7495 0.0000 C 0 0 -2.5827 7.5048 0.0000 C 0 0 -3.8809 8.2579 0.0000 C 0 0 -3.8788 9.7587 0.0000 N 0 0 -5.1770 10.5117 0.0000 C 0 0 -6.2173 9.9135 0.0000 O 0 0 -5.1749 12.0126 0.0000 C 0 0 -3.8733 12.7582 0.0000 C 0 0 -3.8681 14.2582 0.0000 C 0 0 -5.1646 15.0126 0.0000 C 0 0 -6.4662 14.2671 0.0000 N 0 0 -6.4714 12.7671 0.0000 C 0 0 -2.5951 3.0039 0.0000 N 0 3 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 24 1 0 8 9 1 0 8 24 1 0 9 10 1 0 10 11 1 0 10 13 1 6 11 12 1 0 12 24 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 23 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 M CHG 1 24 1 M END > ZINC03814270 > 9 $$$$ SciTegic07110717162D 24 26 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5973 1.5031 0.0000 C 0 0 -3.8915 3.7585 0.0000 C 0 0 -3.8864 5.2585 0.0000 C 0 0 -2.5847 6.0040 0.0000 C 0 0 1 0 0 0 -1.2883 5.2495 0.0000 C 0 0 -1.2935 3.7495 0.0000 C 0 0 -2.5827 7.5048 0.0000 C 0 0 -3.8809 8.2579 0.0000 C 0 0 -3.8788 9.7587 0.0000 N 0 0 -5.1770 10.5117 0.0000 C 0 0 -6.2173 9.9135 0.0000 O 0 0 -5.1749 12.0126 0.0000 C 0 0 -3.8733 12.7582 0.0000 C 0 0 -3.8681 14.2582 0.0000 C 0 0 -5.1646 15.0126 0.0000 N 0 0 -6.4662 14.2671 0.0000 C 0 0 -6.4714 12.7671 0.0000 C 0 0 -2.5951 3.0039 0.0000 N 0 3 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 24 1 0 8 9 1 0 8 24 1 0 9 10 1 0 10 11 1 0 10 13 1 6 11 12 1 0 12 24 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 23 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 M CHG 1 24 1 M END > ZINC03814271 > 9 $$$$ SciTegic07110717162D 24 26 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5973 1.5031 0.0000 C 0 0 -3.8915 3.7585 0.0000 C 0 0 -3.8864 5.2585 0.0000 C 0 0 -2.5847 6.0040 0.0000 C 0 0 2 0 0 0 -1.2883 5.2495 0.0000 C 0 0 -1.2935 3.7495 0.0000 C 0 0 -2.5827 7.5048 0.0000 C 0 0 -3.8809 8.2579 0.0000 C 0 0 -3.8788 9.7587 0.0000 C 0 0 -5.1770 10.5117 0.0000 C 0 0 -6.2173 9.9135 0.0000 O 0 0 -5.1749 12.0126 0.0000 C 0 0 -3.8733 12.7582 0.0000 C 0 0 -3.8681 14.2582 0.0000 C 0 0 -5.1646 15.0126 0.0000 C 0 0 -6.4662 14.2671 0.0000 C 0 0 -6.4714 12.7671 0.0000 C 0 0 -2.5951 3.0039 0.0000 N 0 3 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 24 1 0 8 9 1 0 8 24 1 0 9 10 1 0 10 11 1 0 10 13 1 1 11 12 1 0 12 24 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 23 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 M CHG 1 24 1 M END > ZINC03814272 > 9 $$$$ SciTegic07110717162D 24 26 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5973 1.5031 0.0000 C 0 0 -3.8915 3.7585 0.0000 C 0 0 -3.8864 5.2585 0.0000 C 0 0 -2.5847 6.0040 0.0000 C 0 0 2 0 0 0 -1.2883 5.2495 0.0000 C 0 0 -1.2935 3.7495 0.0000 C 0 0 -2.5827 7.5048 0.0000 C 0 0 -3.8809 8.2579 0.0000 C 0 0 -3.8788 9.7587 0.0000 N 0 0 -5.1770 10.5117 0.0000 C 0 0 -6.2173 9.9135 0.0000 O 0 0 -5.1749 12.0126 0.0000 C 0 0 -3.8733 12.7582 0.0000 C 0 0 -3.8681 14.2582 0.0000 C 0 0 -5.1646 15.0126 0.0000 C 0 0 -6.4662 14.2671 0.0000 C 0 0 -6.4714 12.7671 0.0000 C 0 0 -2.5951 3.0039 0.0000 N 0 3 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 24 1 0 8 9 1 0 8 24 1 0 9 10 1 0 10 11 1 0 10 13 1 1 11 12 1 0 12 24 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 23 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 M CHG 1 24 1 M END > ZINC03814215 > 9 $$$$ SciTegic07110717162D 25 27 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5973 1.5031 0.0000 C 0 0 -3.8915 3.7585 0.0000 C 0 0 -3.8864 5.2585 0.0000 C 0 0 -2.5847 6.0040 0.0000 C 0 0 1 0 0 0 -1.2883 5.2495 0.0000 C 0 0 -1.2935 3.7495 0.0000 C 0 0 -2.5827 7.5048 0.0000 C 0 0 -3.8809 8.2579 0.0000 C 0 0 -3.8788 9.7587 0.0000 N 0 0 -5.1770 10.5117 0.0000 C 0 0 -6.2173 9.9135 0.0000 O 0 0 -5.1749 12.0126 0.0000 C 0 0 -3.8733 12.7582 0.0000 C 0 0 -3.8681 14.2582 0.0000 C 0 0 -5.1646 15.0126 0.0000 C 0 0 -6.4662 14.2671 0.0000 C 0 0 -6.4714 12.7671 0.0000 C 0 0 -5.1605 16.2126 0.0000 F 0 0 -2.5951 3.0039 0.0000 N 0 3 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 25 1 0 8 9 1 0 8 25 1 0 9 10 1 0 10 11 1 0 10 13 1 6 11 12 1 0 12 25 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 23 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 21 24 1 0 22 23 1 0 M CHG 1 25 1 M END > ZINC03814266 > 9 $$$$ SciTegic07110717162D 25 27 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5973 1.5031 0.0000 C 0 0 -3.8915 3.7585 0.0000 C 0 0 -3.8864 5.2585 0.0000 C 0 0 -2.5847 6.0040 0.0000 C 0 0 1 0 0 0 -1.2883 5.2495 0.0000 C 0 0 -1.2935 3.7495 0.0000 C 0 0 -2.5827 7.5048 0.0000 C 0 0 -3.8809 8.2579 0.0000 C 0 0 -3.8788 9.7587 0.0000 N 0 0 -5.1770 10.5117 0.0000 C 0 0 -6.2173 9.9135 0.0000 O 0 0 -5.1749 12.0126 0.0000 C 0 0 -3.8733 12.7582 0.0000 C 0 0 -3.8681 14.2582 0.0000 C 0 0 -5.1646 15.0126 0.0000 C 0 0 -6.4662 14.2671 0.0000 C 0 0 -6.4714 12.7671 0.0000 C 0 0 -5.1605 16.2126 0.0000 Cl 0 0 -2.5951 3.0039 0.0000 N 0 3 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 25 1 0 8 9 1 0 8 25 1 0 9 10 1 0 10 11 1 0 10 13 1 6 11 12 1 0 12 25 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 23 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 21 24 1 0 22 23 1 0 M CHG 1 25 1 M END > ZINC03814265 > 9 $$$$ SciTegic07110717162D 25 27 0 0 0 0 999 V2000 2.3383 -1.3500 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5972 1.5031 0.0000 C 0 0 3.6375 0.9049 0.0000 O 0 0 2.5951 3.0039 0.0000 N 0 0 3.8933 3.7570 0.0000 C 0 0 3.8912 5.2578 0.0000 C 0 0 5.1894 6.0109 0.0000 C 0 0 2 0 0 0 6.4885 5.2610 0.0000 C 0 0 7.7875 6.0110 0.0000 C 0 0 6.4884 8.2610 0.0000 C 0 0 5.1894 7.5110 0.0000 C 0 0 9.0857 8.2642 0.0000 C 0 0 9.0835 9.7650 0.0000 C 0 0 7.7818 10.5106 0.0000 C 0 0 7.7766 12.0105 0.0000 C 0 0 9.0730 12.7651 0.0000 C 0 0 10.3747 12.0196 0.0000 C 0 0 10.3799 10.5196 0.0000 C 0 0 7.7875 7.5110 0.0000 N 0 3 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 1 0 13 12 1 1 13 17 1 0 13 14 1 0 14 15 1 0 15 25 1 0 16 17 1 0 16 25 1 0 18 19 1 0 18 25 1 0 19 24 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 M CHG 1 25 1 M END > ZINC03814257 > 9 $$$$ SciTegic07110717162D 25 27 0 0 0 0 999 V2000 2.3383 -1.3500 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0031 3.0008 0.0000 C 0 0 -1.0351 3.6026 0.0000 O 0 0 1.3039 3.7494 0.0000 N 0 0 1.3070 5.2502 0.0000 C 0 0 2.6078 5.9988 0.0000 C 0 0 2.6109 7.4996 0.0000 C 0 0 2 0 0 0 1.3118 8.2497 0.0000 C 0 0 1.3118 9.7497 0.0000 C 0 0 3.9099 9.7497 0.0000 C 0 0 3.9099 8.2497 0.0000 C 0 0 2.6140 12.0005 0.0000 C 0 0 3.9148 12.7491 0.0000 C 0 0 5.2114 11.9946 0.0000 C 0 0 6.5130 12.7401 0.0000 C 0 0 6.5182 14.2401 0.0000 C 0 0 5.2218 14.9946 0.0000 C 0 0 3.9201 14.2491 0.0000 C 0 0 2.6109 10.4997 0.0000 N 0 3 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 6 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 1 0 13 12 1 6 13 17 1 0 13 14 1 0 14 15 1 0 15 25 1 0 16 17 1 0 16 25 1 0 18 19 1 0 18 25 1 0 19 24 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 M CHG 1 25 1 M END > ZINC03814258 > 9 $$$$ SciTegic07110717162D 25 27 0 0 0 0 999 V2000 2.3383 -1.3500 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5973 1.5031 0.0000 C 0 0 -3.6375 0.9049 0.0000 O 0 0 -2.5951 3.0039 0.0000 N 0 0 -3.8933 3.7570 0.0000 C 0 0 -3.8912 5.2578 0.0000 C 0 0 -5.1894 6.0109 0.0000 C 0 0 2 0 0 0 -6.4886 5.2609 0.0000 C 0 0 -7.7876 6.0110 0.0000 C 0 0 -6.4885 8.2609 0.0000 C 0 0 -5.1895 7.5109 0.0000 C 0 0 -9.0858 8.2641 0.0000 C 0 0 -9.0836 9.7649 0.0000 C 0 0 -7.7819 10.5105 0.0000 C 0 0 -7.7767 12.0105 0.0000 C 0 0 -9.0731 12.7650 0.0000 C 0 0 -10.3748 12.0195 0.0000 C 0 0 -10.3800 10.5195 0.0000 C 0 0 -7.7876 7.5110 0.0000 N 0 3 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 5 8 1 0 6 7 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 1 0 13 12 1 6 13 17 1 0 13 14 1 0 14 15 1 0 15 25 1 0 16 17 1 0 16 25 1 0 18 19 1 0 18 25 1 0 19 24 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 M CHG 1 25 1 M END > ZINC03814259 > 9 $$$$ SciTegic07110717162D 25 27 0 0 0 0 999 V2000 4.9336 -3.1588 0.0000 C 0 0 3.8933 -3.7570 0.0000 N 0 0 2.5951 -3.0039 0.0000 C 0 0 2.5973 -1.5031 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 2 0 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5973 1.5031 0.0000 C 0 0 -2.5951 3.0039 0.0000 C 0 0 -1.2935 3.7495 0.0000 C 0 0 -1.2883 5.2495 0.0000 C 0 0 -2.5847 6.0040 0.0000 C 0 0 -3.8864 5.2585 0.0000 C 0 0 -3.8916 3.7585 0.0000 C 0 0 3.8912 -5.2578 0.0000 C 0 0 2.8509 -5.8560 0.0000 O 0 0 5.1894 -6.0109 0.0000 C 0 0 6.4885 -5.2610 0.0000 C 0 0 7.7876 -6.0110 0.0000 C 0 0 7.7875 -7.5110 0.0000 C 0 0 6.4885 -8.2610 0.0000 C 0 0 5.1895 -7.5109 0.0000 C 0 0 -1.2990 0.7500 0.0000 N 0 3 1 2 1 0 2 3 1 0 2 17 1 0 3 4 1 0 5 4 1 6 5 9 1 0 5 6 1 0 6 7 1 0 7 25 1 0 8 9 1 0 8 25 1 0 10 11 1 0 10 25 1 0 11 16 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 17 18 2 0 17 19 1 0 19 24 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 M CHG 1 25 1 M END > ZINC03814222 > 9 $$$$ SciTegic07110717162D 26 28 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5973 1.5031 0.0000 C 0 0 -3.8915 3.7585 0.0000 C 0 0 -3.8864 5.2585 0.0000 C 0 0 -2.5847 6.0040 0.0000 C 0 0 1 0 0 0 -1.2883 5.2495 0.0000 C 0 0 -1.2935 3.7495 0.0000 C 0 0 -2.5827 7.5048 0.0000 C 0 0 -3.8809 8.2579 0.0000 C 0 0 -3.8788 9.7587 0.0000 N 0 0 -5.1770 10.5117 0.0000 C 0 0 -6.2173 9.9135 0.0000 O 0 0 -5.1749 12.0126 0.0000 C 0 0 -3.8733 12.7582 0.0000 C 0 0 -3.8681 14.2582 0.0000 C 0 0 -5.1646 15.0126 0.0000 C 0 0 -6.4662 14.2671 0.0000 C 0 0 -6.4714 12.7671 0.0000 C 0 0 -5.1625 16.5135 0.0000 C 0 0 -6.2006 17.1156 0.0000 O 0 0 -2.5951 3.0039 0.0000 N 0 3 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 26 1 0 8 9 1 0 8 26 1 0 9 10 1 0 10 11 1 0 10 13 1 6 11 12 1 0 12 26 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 23 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 21 24 1 0 22 23 1 0 24 25 2 0 M CHG 1 26 1 M END > ZINC03814264 > 9 $$$$ SciTegic07110717162D 26 28 0 0 0 0 999 V2000 2.3383 -1.3500 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0031 3.0008 0.0000 C 0 0 1.3092 5.2494 0.0000 C 0 0 2.6108 5.9949 0.0000 C 0 0 3.9072 5.2404 0.0000 C 0 0 1 0 0 0 3.9020 3.7405 0.0000 C 0 0 2.6004 2.9949 0.0000 C 0 0 5.2080 5.9891 0.0000 C 0 0 5.2111 7.4899 0.0000 C 0 0 6.5119 8.2385 0.0000 N 0 0 7.5501 7.6367 0.0000 C 0 0 6.5149 9.7393 0.0000 C 0 0 5.4767 10.3411 0.0000 O 0 0 7.8157 10.4879 0.0000 C 0 0 9.1123 9.7335 0.0000 C 0 0 10.4139 10.4790 0.0000 C 0 0 10.4190 11.9790 0.0000 C 0 0 9.1226 12.7335 0.0000 C 0 0 7.8210 11.9879 0.0000 C 0 0 1.3039 3.7494 0.0000 N 0 3 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 6 8 1 0 8 26 1 0 9 10 1 0 9 26 1 0 10 11 1 0 11 12 1 0 11 14 1 6 12 13 1 0 13 26 1 0 14 15 1 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 2 0 18 20 1 0 20 25 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 M CHG 1 26 1 M END > ZINC03814255 > 9 $$$$ SciTegic07110717162D 26 28 0 0 0 0 999 V2000 2.3383 -1.3500 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5972 1.5031 0.0000 C 0 0 3.8915 3.7585 0.0000 C 0 0 3.8863 5.2585 0.0000 C 0 0 2.5847 6.0040 0.0000 C 0 0 1 0 0 0 1.2883 5.2495 0.0000 C 0 0 1.2934 3.7495 0.0000 C 0 0 2.5826 7.5048 0.0000 C 0 0 3.8808 8.2579 0.0000 C 0 0 3.8787 9.7587 0.0000 N 0 0 2.8384 10.3569 0.0000 C 0 0 5.1769 10.5118 0.0000 C 0 0 6.2172 9.9136 0.0000 O 0 0 5.1748 12.0126 0.0000 C 0 0 3.8732 12.7582 0.0000 C 0 0 3.8680 14.2582 0.0000 C 0 0 5.1644 15.0127 0.0000 C 0 0 6.4661 14.2672 0.0000 C 0 0 6.4712 12.7672 0.0000 C 0 0 2.5951 3.0039 0.0000 N 0 3 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 26 1 0 9 10 1 0 9 26 1 0 10 11 1 0 11 12 1 0 11 14 1 1 12 13 1 0 13 26 1 0 14 15 1 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 2 0 18 20 1 0 20 25 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 M CHG 1 26 1 M END > ZINC03814254 > 9 $$$$ SciTegic07110717162D 26 28 0 0 0 0 999 V2000 5.1932 -1.8062 0.0000 C 0 0 5.1929 -3.0062 0.0000 C 0 0 3.8933 -3.7570 0.0000 N 0 0 2.5951 -3.0039 0.0000 C 0 0 2.5973 -1.5031 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 2 0 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5973 1.5031 0.0000 C 0 0 -2.5951 3.0039 0.0000 C 0 0 -1.2935 3.7495 0.0000 C 0 0 -1.2883 5.2495 0.0000 C 0 0 -2.5847 6.0040 0.0000 C 0 0 -3.8864 5.2585 0.0000 C 0 0 -3.8916 3.7585 0.0000 C 0 0 3.8912 -5.2578 0.0000 C 0 0 2.8509 -5.8560 0.0000 O 0 0 5.1894 -6.0109 0.0000 C 0 0 6.4885 -5.2610 0.0000 C 0 0 7.7876 -6.0110 0.0000 C 0 0 7.7875 -7.5110 0.0000 C 0 0 6.4885 -8.2610 0.0000 C 0 0 5.1895 -7.5109 0.0000 C 0 0 -1.2990 0.7500 0.0000 N 0 3 1 2 1 0 2 3 1 0 3 4 1 0 3 18 1 0 4 5 1 0 6 5 1 6 6 10 1 0 6 7 1 0 7 8 1 0 8 26 1 0 9 10 1 0 9 26 1 0 11 12 1 0 11 26 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 18 19 2 0 18 20 1 0 20 25 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 M CHG 1 26 1 M END > ZINC03814252 > 9 $$$$ SciTegic07110717162D 26 28 0 0 0 0 999 V2000 2.5956 -2.7031 0.0000 C 0 0 2.5973 -1.5031 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5973 1.5031 0.0000 C 0 0 -3.6375 0.9049 0.0000 O 0 0 -2.5951 3.0039 0.0000 N 0 0 -3.8933 3.7570 0.0000 C 0 0 -3.8912 5.2578 0.0000 C 0 0 -5.1894 6.0109 0.0000 C 0 0 2 0 0 0 -6.4886 5.2609 0.0000 C 0 0 -7.7876 6.0110 0.0000 C 0 0 -6.4885 8.2609 0.0000 C 0 0 -5.1895 7.5109 0.0000 C 0 0 -9.0858 8.2641 0.0000 C 0 0 -9.0836 9.7649 0.0000 C 0 0 -7.7819 10.5105 0.0000 C 0 0 -7.7767 12.0105 0.0000 C 0 0 -9.0731 12.7650 0.0000 C 0 0 -10.3748 12.0195 0.0000 C 0 0 -10.3800 10.5195 0.0000 C 0 0 -7.7876 7.5110 0.0000 N 0 3 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 6 9 1 0 7 8 1 0 9 10 2 0 9 11 1 0 11 12 1 0 12 13 1 0 14 13 1 6 14 18 1 0 14 15 1 0 15 16 1 0 16 26 1 0 17 18 1 0 17 26 1 0 19 20 1 0 19 26 1 0 20 25 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 M CHG 1 26 1 M END > ZINC03814263 > 9 $$$$ SciTegic07110717162D 27 29 0 0 0 0 999 V2000 3.6375 -0.9049 0.0000 C 0 0 2.5973 -1.5031 0.0000 C 0 0 2.5956 -2.7031 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5973 1.5031 0.0000 C 0 0 -3.6375 0.9049 0.0000 O 0 0 -2.5951 3.0039 0.0000 N 0 0 -3.8933 3.7570 0.0000 C 0 0 -3.8912 5.2578 0.0000 C 0 0 -5.1894 6.0109 0.0000 C 0 0 2 0 0 0 -6.4886 5.2609 0.0000 C 0 0 -7.7876 6.0110 0.0000 C 0 0 -6.4885 8.2609 0.0000 C 0 0 -5.1895 7.5109 0.0000 C 0 0 -9.0858 8.2641 0.0000 C 0 0 -9.0836 9.7649 0.0000 C 0 0 -7.7819 10.5105 0.0000 C 0 0 -7.7767 12.0105 0.0000 C 0 0 -9.0731 12.7650 0.0000 C 0 0 -10.3748 12.0195 0.0000 C 0 0 -10.3800 10.5195 0.0000 C 0 0 -7.7876 7.5110 0.0000 N 0 3 1 2 1 0 2 3 2 0 2 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 7 10 1 0 8 9 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 1 0 15 14 1 6 15 19 1 0 15 16 1 0 16 17 1 0 17 27 1 0 18 19 1 0 18 27 1 0 20 21 1 0 20 27 1 0 21 26 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 M CHG 1 27 1 M END > ZINC03814267 > 9 $$$$ SciTegic07110717162D 27 29 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5973 1.5031 0.0000 C 0 0 -3.8915 3.7585 0.0000 C 0 0 -3.8864 5.2585 0.0000 C 0 0 -2.5847 6.0040 0.0000 C 0 0 1 0 0 0 -1.2883 5.2495 0.0000 C 0 0 -1.2935 3.7495 0.0000 C 0 0 -2.5827 7.5048 0.0000 C 0 0 -3.8809 8.2579 0.0000 C 0 0 -3.8788 9.7587 0.0000 N 0 0 -5.1770 10.5117 0.0000 C 0 0 -6.2173 9.9135 0.0000 O 0 0 -5.1749 12.0126 0.0000 C 0 0 -3.8733 12.7582 0.0000 C 0 0 -3.8681 14.2582 0.0000 C 0 0 -5.1646 15.0126 0.0000 C 0 0 -6.4662 14.2671 0.0000 C 0 0 -6.4714 12.7671 0.0000 C 0 0 -7.7752 12.0239 0.0000 N 0 3 -8.8115 12.6290 0.0000 O 0 0 -7.7815 10.8239 0.0000 O 0 5 -2.5951 3.0039 0.0000 N 0 3 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 27 1 0 8 9 1 0 8 27 1 0 9 10 1 0 10 11 1 0 10 13 1 6 11 12 1 0 12 27 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 23 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 M CHG 3 24 1 26 -1 27 1 M END > ZINC03814260 > 9 $$$$ SciTegic07110717162D 27 29 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5973 1.5031 0.0000 C 0 0 -3.8915 3.7585 0.0000 C 0 0 -3.8864 5.2585 0.0000 C 0 0 -2.5847 6.0040 0.0000 C 0 0 1 0 0 0 -1.2883 5.2495 0.0000 C 0 0 -1.2935 3.7495 0.0000 C 0 0 -2.5827 7.5048 0.0000 C 0 0 -3.8809 8.2579 0.0000 C 0 0 -3.8788 9.7587 0.0000 N 0 0 -5.1770 10.5117 0.0000 C 0 0 -6.2173 9.9135 0.0000 O 0 0 -5.1749 12.0126 0.0000 C 0 0 -3.8733 12.7582 0.0000 C 0 0 -3.8681 14.2582 0.0000 C 0 0 -5.1646 15.0126 0.0000 C 0 0 -6.4662 14.2671 0.0000 C 0 0 -6.4714 12.7671 0.0000 C 0 0 -7.7649 15.0193 0.0000 N 0 3 -8.8054 14.4214 0.0000 O 0 0 -7.7629 16.2193 0.0000 O 0 5 -2.5951 3.0039 0.0000 N 0 3 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 27 1 0 8 9 1 0 8 27 1 0 9 10 1 0 10 11 1 0 10 13 1 6 11 12 1 0 12 27 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 23 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 22 24 1 0 24 25 2 0 24 26 1 0 M CHG 3 24 1 26 -1 27 1 M END > ZINC03814261 > 9 $$$$ SciTegic07110717162D 27 29 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5973 1.5031 0.0000 C 0 0 -3.8915 3.7585 0.0000 C 0 0 -3.8864 5.2585 0.0000 C 0 0 -2.5847 6.0040 0.0000 C 0 0 2 0 0 0 -1.2883 5.2495 0.0000 C 0 0 -1.2935 3.7495 0.0000 C 0 0 -2.5827 7.5048 0.0000 C 0 0 -3.8809 8.2579 0.0000 C 0 0 -3.8788 9.7587 0.0000 N 0 0 -5.1770 10.5117 0.0000 C 0 0 -6.2173 9.9135 0.0000 O 0 0 -5.1749 12.0126 0.0000 C 0 0 -3.8733 12.7582 0.0000 C 0 0 -3.8681 14.2582 0.0000 C 0 0 -5.1646 15.0126 0.0000 C 0 0 -6.4662 14.2671 0.0000 C 0 0 -6.4714 12.7671 0.0000 C 0 0 -5.1625 16.5135 0.0000 N 0 3 -6.2006 17.1156 0.0000 O 0 0 -4.1223 17.1117 0.0000 O 0 5 -2.5951 3.0039 0.0000 N 0 3 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 27 1 0 8 9 1 0 8 27 1 0 9 10 1 0 10 11 1 0 10 13 1 1 11 12 1 0 12 27 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 23 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 21 24 1 0 22 23 1 0 24 25 2 0 24 26 1 0 M CHG 3 24 1 26 -1 27 1 M END > ZINC03814262 > 9 $$$$ SciTegic07110717162D 28 30 0 0 0 0 999 V2000 4.9336 -3.1588 0.0000 C 0 0 3.8933 -3.7570 0.0000 N 0 0 2.5951 -3.0039 0.0000 C 0 0 2.5973 -1.5031 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 2 0 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5973 1.5031 0.0000 C 0 0 -2.5951 3.0039 0.0000 C 0 0 -1.2935 3.7495 0.0000 C 0 0 -1.2883 5.2495 0.0000 C 0 0 -2.5847 6.0040 0.0000 C 0 0 -3.8864 5.2585 0.0000 C 0 0 -3.8916 3.7585 0.0000 C 0 0 -5.1851 6.0107 0.0000 N 0 3 -6.2255 5.4128 0.0000 O 0 0 -5.1830 7.2107 0.0000 O 0 5 3.8912 -5.2578 0.0000 C 0 0 2.8509 -5.8560 0.0000 O 0 0 5.1894 -6.0109 0.0000 C 0 0 6.4885 -5.2610 0.0000 C 0 0 7.7876 -6.0110 0.0000 C 0 0 7.7875 -7.5110 0.0000 C 0 0 6.4885 -8.2610 0.0000 C 0 0 5.1895 -7.5109 0.0000 C 0 0 -1.2990 0.7500 0.0000 N 0 3 1 2 1 0 2 3 1 0 2 20 1 0 3 4 1 0 5 4 1 6 5 9 1 0 5 6 1 0 6 7 1 0 7 28 1 0 8 9 1 0 8 28 1 0 10 11 1 0 10 28 1 0 11 16 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 15 17 1 0 17 18 2 0 17 19 1 0 20 21 2 0 20 22 1 0 22 27 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 M CHG 3 17 1 19 -1 28 1 M END > ZINC03814256 > 9 $$$$ SciTegic07110717162D 24 27 0 0 0 0 999 V2000 11.5167 5.3308 0.0000 C 0 0 10.7520 6.6213 0.0000 C 0 0 9.2521 6.6043 0.0000 C 0 0 8.5168 5.2969 0.0000 C 0 0 9.2816 4.0064 0.0000 C 0 0 10.7815 4.0234 0.0000 C 0 0 7.0161 5.2768 0.0000 C 0 0 4.7825 3.9454 0.0000 C 0 0 4.0518 2.6354 0.0000 C 0 0 4.8208 1.3475 0.0000 C 0 0 1 0 0 0 6.3207 1.3698 0.0000 C 0 0 7.0514 2.6798 0.0000 C 0 0 4.0872 0.0382 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 2 0 0 0 1.7138 1.2033 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 C 0 0 2.0907 -2.3426 0.0000 O 0 0 6.2823 3.9676 0.0000 N 0 3 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 24 1 0 8 9 1 0 8 24 1 0 9 10 1 0 10 11 1 0 10 13 1 1 11 12 1 0 12 24 1 0 14 13 1 1 14 22 1 0 14 15 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 2 0 M CHG 1 24 1 M END > ZINC03814292 > 10 $$$$ SciTegic07110717162D 26 29 0 0 0 0 999 V2000 -2.0337 3.6184 0.0000 C 0 0 -0.9971 3.0138 0.0000 O 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 2 0 0 0 1.7138 -1.2033 0.0000 C 0 0 2.0907 -2.3426 0.0000 O 0 0 4.0872 0.0382 0.0000 C 0 0 4.8208 1.3475 0.0000 C 0 0 2 0 0 0 4.0518 2.6354 0.0000 C 0 0 4.7825 3.9454 0.0000 C 0 0 7.0514 2.6798 0.0000 C 0 0 6.3207 1.3698 0.0000 C 0 0 7.0161 5.2768 0.0000 C 0 0 8.5168 5.2969 0.0000 C 0 0 9.2816 4.0064 0.0000 C 0 0 10.7815 4.0234 0.0000 C 0 0 11.5167 5.3308 0.0000 C 0 0 10.7520 6.6213 0.0000 C 0 0 9.2521 6.6043 0.0000 C 0 0 6.2823 3.9676 0.0000 N 0 3 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 11 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 10 13 1 1 11 12 2 0 14 13 1 6 14 18 1 0 14 15 1 0 15 16 1 0 16 26 1 0 17 18 1 0 17 26 1 0 19 20 1 0 19 26 1 0 20 25 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 M CHG 1 26 1 M END > ZINC03814276 > 10 $$$$ SciTegic07110717162D 26 29 0 0 0 0 999 V2000 -4.6560 0.8780 0.0000 C 0 0 -3.6217 1.4865 0.0000 O 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 2 0 0 0 1.7138 -1.2033 0.0000 C 0 0 2.0907 -2.3426 0.0000 O 0 0 4.0872 0.0382 0.0000 C 0 0 4.8208 1.3475 0.0000 C 0 0 2 0 0 0 4.0518 2.6354 0.0000 C 0 0 4.7825 3.9454 0.0000 C 0 0 7.0514 2.6798 0.0000 C 0 0 6.3207 1.3698 0.0000 C 0 0 7.0161 5.2768 0.0000 C 0 0 8.5168 5.2969 0.0000 C 0 0 9.2816 4.0064 0.0000 C 0 0 10.7815 4.0234 0.0000 C 0 0 11.5167 5.3308 0.0000 C 0 0 10.7520 6.6213 0.0000 C 0 0 9.2521 6.6043 0.0000 C 0 0 6.2823 3.9676 0.0000 N 0 3 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 11 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 1 0 10 11 1 0 10 13 1 1 11 12 2 0 14 13 1 6 14 18 1 0 14 15 1 0 15 16 1 0 16 26 1 0 17 18 1 0 17 26 1 0 19 20 1 0 19 26 1 0 20 25 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 M CHG 1 26 1 M END > ZINC03814275 > 10 $$$$ SciTegic07110717162D 26 29 0 0 0 0 999 V2000 -4.6560 0.8780 0.0000 C 0 0 -3.6217 1.4865 0.0000 O 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 2.0825 2.3453 0.0000 O 0 0 2.5889 0.0182 0.0000 C 0 0 1 0 0 0 1.7138 -1.2033 0.0000 C 0 0 4.0872 0.0382 0.0000 C 0 0 4.8208 1.3475 0.0000 C 0 0 1 0 0 0 4.0518 2.6354 0.0000 C 0 0 4.7825 3.9454 0.0000 C 0 0 7.0514 2.6798 0.0000 C 0 0 6.3207 1.3698 0.0000 C 0 0 7.0161 5.2768 0.0000 C 0 0 8.5168 5.2969 0.0000 C 0 0 9.2816 4.0064 0.0000 C 0 0 10.7815 4.0234 0.0000 C 0 0 11.5167 5.3308 0.0000 C 0 0 10.7520 6.6213 0.0000 C 0 0 9.2521 6.6043 0.0000 C 0 0 6.2823 3.9676 0.0000 N 0 3 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 12 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 11 13 1 6 14 13 1 1 14 18 1 0 14 15 1 0 15 16 1 0 16 26 1 0 17 18 1 0 17 26 1 0 19 20 1 0 19 26 1 0 20 25 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 M CHG 1 26 1 M END > ZINC03814274 > 10 $$$$ SciTegic07110717162D 28 31 0 0 0 0 999 V2000 -3.6251 2.6919 0.0000 C 0 0 -3.6187 1.4919 0.0000 O 0 0 -2.3155 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -3.6187 -1.4919 0.0000 O 0 0 -3.6251 -2.6919 0.0000 C 0 0 1.7138 -1.2033 0.0000 C 0 0 2.0907 -2.3426 0.0000 O 0 0 2.5889 0.0182 0.0000 C 0 0 4.0872 0.0382 0.0000 C 0 0 4.8208 1.3475 0.0000 C 0 0 2 0 0 0 4.0518 2.6354 0.0000 C 0 0 4.7825 3.9454 0.0000 C 0 0 7.0514 2.6798 0.0000 C 0 0 6.3207 1.3698 0.0000 C 0 0 7.0161 5.2768 0.0000 C 0 0 8.5168 5.2969 0.0000 C 0 0 9.2816 4.0064 0.0000 C 0 0 10.7815 4.0234 0.0000 C 0 0 11.5167 5.3308 0.0000 C 0 0 10.7520 6.6213 0.0000 C 0 0 9.2521 6.6043 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 6.2823 3.9676 0.0000 N 0 3 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 27 1 0 5 6 1 0 6 7 2 0 6 11 1 0 7 8 1 0 8 9 1 0 9 10 1 0 11 12 2 0 11 13 1 0 13 14 2 0 13 27 1 0 15 14 1 6 15 19 1 0 15 16 1 0 16 17 1 0 17 28 1 0 18 19 1 0 18 28 1 0 20 21 1 0 20 28 1 0 21 26 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 M CHG 1 28 1 M END > ZINC03814273 > 10 $$$$ SciTegic07110717162D 28 31 0 0 0 0 999 V2000 -2.0337 3.6184 0.0000 C 0 0 -0.9971 3.0138 0.0000 O 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 2 0 0 0 1.7138 -1.2033 0.0000 C 0 0 2.0907 -2.3426 0.0000 O 0 0 4.0872 0.0382 0.0000 C 0 0 4.8208 1.3475 0.0000 C 0 0 1 0 0 0 4.0518 2.6354 0.0000 C 0 0 4.7825 3.9454 0.0000 C 0 0 7.0514 2.6798 0.0000 C 0 0 6.3207 1.3698 0.0000 C 0 0 7.0161 5.2768 0.0000 C 0 0 8.5168 5.2969 0.0000 C 0 0 9.2816 4.0064 0.0000 C 0 0 10.7815 4.0234 0.0000 C 0 0 11.5167 5.3308 0.0000 C 0 0 10.7520 6.6213 0.0000 C 0 0 9.2521 6.6043 0.0000 C 0 0 -0.9971 -3.0138 0.0000 O 0 0 -2.0337 -3.6184 0.0000 C 0 0 6.2823 3.9676 0.0000 N 0 3 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 6 26 1 0 7 11 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 10 13 1 1 11 12 2 0 14 13 1 1 14 18 1 0 14 15 1 0 15 16 1 0 16 28 1 0 17 18 1 0 17 28 1 0 19 20 1 0 19 28 1 0 20 25 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 26 27 1 0 M CHG 1 28 1 M END > ZINC03814279 > 10 $$$$ SciTegic07110717162D 28 31 0 0 0 0 999 V2000 -4.6560 0.8780 0.0000 C 0 0 -3.6217 1.4865 0.0000 O 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -0.9971 3.0138 0.0000 O 0 0 -2.0337 3.6184 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 2.0825 2.3453 0.0000 O 0 0 2.5889 0.0182 0.0000 C 0 0 1 0 0 0 1.7138 -1.2033 0.0000 C 0 0 4.0872 0.0382 0.0000 C 0 0 4.8208 1.3475 0.0000 C 0 0 1 0 0 0 4.0518 2.6354 0.0000 C 0 0 4.7825 3.9454 0.0000 C 0 0 7.0514 2.6798 0.0000 C 0 0 6.3207 1.3698 0.0000 C 0 0 7.0161 5.2768 0.0000 C 0 0 8.5168 5.2969 0.0000 C 0 0 9.2816 4.0064 0.0000 C 0 0 10.7815 4.0234 0.0000 C 0 0 11.5167 5.3308 0.0000 C 0 0 10.7520 6.6213 0.0000 C 0 0 9.2521 6.6043 0.0000 C 0 0 6.2823 3.9676 0.0000 N 0 3 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 14 1 0 6 7 2 0 7 8 1 0 7 11 1 0 8 9 1 0 9 10 1 0 11 12 2 0 11 13 1 0 13 14 1 0 13 15 1 6 16 15 1 1 16 20 1 0 16 17 1 0 17 18 1 0 18 28 1 0 19 20 1 0 19 28 1 0 21 22 1 0 21 28 1 0 22 27 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 M CHG 1 28 1 M END > ZINC03814277 > 10 $$$$ SciTegic07110717162D 28 31 0 0 0 0 999 V2000 -3.6251 2.6919 0.0000 C 0 0 -3.6187 1.4919 0.0000 O 0 0 -2.3155 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -0.9971 -3.0138 0.0000 O 0 0 -2.0337 -3.6184 0.0000 C 0 0 1.7138 -1.2033 0.0000 C 0 0 2.0907 -2.3426 0.0000 O 0 0 2.5889 0.0182 0.0000 C 0 0 1 0 0 0 1.7138 1.2033 0.0000 C 0 0 4.0872 0.0320 0.0000 C 0 0 4.8506 -1.2602 0.0000 C 0 0 2 0 0 0 4.1108 -2.5652 0.0000 C 0 0 4.8709 -3.8583 0.0000 C 0 0 7.1107 -2.5417 0.0000 C 0 0 6.3505 -1.2485 0.0000 C 0 0 7.1341 -5.1388 0.0000 C 0 0 8.6349 -5.1249 0.0000 C 0 0 9.3703 -3.8175 0.0000 C 0 0 10.8702 -3.8005 0.0000 C 0 0 11.6348 -5.0910 0.0000 C 0 0 10.8995 -6.3984 0.0000 C 0 0 9.3996 -6.4154 0.0000 C 0 0 6.3709 -3.8465 0.0000 N 0 3 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 14 1 0 5 6 1 0 6 7 2 0 6 11 1 0 7 8 1 0 7 9 1 0 9 10 1 0 11 12 2 0 11 13 1 0 13 14 1 0 13 15 1 1 16 15 1 1 16 20 1 0 16 17 1 0 17 18 1 0 18 28 1 0 19 20 1 0 19 28 1 0 21 22 1 0 21 28 1 0 22 27 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 M CHG 1 28 1 M END > ZINC03814278 > 10 $$$$ SciTegic07110717162D 28 31 0 0 0 0 999 V2000 -4.6560 0.8780 0.0000 C 0 0 -3.6217 1.4865 0.0000 O 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -0.9971 3.0138 0.0000 O 0 0 -2.0337 3.6184 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 2 0 0 0 1.7138 -1.2033 0.0000 C 0 0 2.0907 -2.3426 0.0000 O 0 0 4.0872 0.0382 0.0000 C 0 0 4.8208 1.3475 0.0000 C 0 0 2 0 0 0 4.0518 2.6354 0.0000 C 0 0 4.7825 3.9454 0.0000 C 0 0 7.0514 2.6798 0.0000 C 0 0 6.3207 1.3698 0.0000 C 0 0 7.0161 5.2768 0.0000 C 0 0 8.5168 5.2969 0.0000 C 0 0 9.2816 4.0064 0.0000 C 0 0 10.7815 4.0234 0.0000 C 0 0 11.5167 5.3308 0.0000 C 0 0 10.7520 6.6213 0.0000 C 0 0 9.2521 6.6043 0.0000 C 0 0 6.2823 3.9676 0.0000 N 0 3 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 13 1 0 6 7 2 0 7 8 1 0 7 11 1 0 8 9 1 0 9 10 1 0 11 12 1 0 12 13 1 0 12 15 1 1 13 14 2 0 16 15 1 6 16 20 1 0 16 17 1 0 17 18 1 0 18 28 1 0 19 20 1 0 19 28 1 0 21 22 1 0 21 28 1 0 22 27 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 M CHG 1 28 1 M END > ZINC03814280 > 10 $$$$ SciTegic07110717162D 28 31 0 0 0 0 999 V2000 -3.6251 2.6919 0.0000 C 0 0 -3.6187 1.4919 0.0000 O 0 0 -2.3155 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -3.6187 -1.4919 0.0000 O 0 0 -3.6251 -2.6919 0.0000 C 0 0 1.7138 -1.2033 0.0000 C 0 0 2.0907 -2.3426 0.0000 O 0 0 2.5889 0.0182 0.0000 C 0 0 1 0 0 0 1.7138 1.2033 0.0000 C 0 0 4.0872 0.0320 0.0000 C 0 0 6.3505 -1.2485 0.0000 C 0 0 7.1107 -2.5417 0.0000 C 0 0 6.3709 -3.8465 0.0000 C 0 0 2 0 0 0 4.8709 -3.8583 0.0000 C 0 0 4.1108 -2.5652 0.0000 C 0 0 7.1341 -5.1388 0.0000 C 0 0 8.6349 -5.1249 0.0000 C 0 0 9.3703 -3.8175 0.0000 C 0 0 10.8702 -3.8005 0.0000 C 0 0 11.6348 -5.0910 0.0000 C 0 0 10.8995 -6.3984 0.0000 C 0 0 9.3996 -6.4154 0.0000 C 0 0 4.8506 -1.2602 0.0000 N 0 3 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 14 1 0 5 6 1 0 6 7 2 0 6 11 1 0 7 8 1 0 8 9 1 0 9 10 1 0 11 12 2 0 11 13 1 0 13 14 1 0 13 15 1 1 15 28 1 0 16 17 1 0 16 28 1 0 17 18 1 0 18 19 1 0 18 21 1 1 19 20 1 0 20 28 1 0 21 22 1 0 22 27 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 M CHG 1 28 1 M END > ZINC03814283 > 10 $$$$ SciTegic07110717162D 28 31 0 0 0 0 999 V2000 -3.6251 2.6919 0.0000 C 0 0 -3.6187 1.4919 0.0000 O 0 0 -2.3155 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -3.6187 -1.4919 0.0000 O 0 0 -3.6251 -2.6919 0.0000 C 0 0 1.7138 -1.2033 0.0000 C 0 0 2.0907 -2.3426 0.0000 O 0 0 2.5889 0.0182 0.0000 C 0 0 1 0 0 0 1.7138 1.2033 0.0000 C 0 0 4.0872 0.0320 0.0000 C 0 0 6.3505 -1.2485 0.0000 C 0 0 7.1107 -2.5417 0.0000 C 0 0 4.8709 -3.8583 0.0000 C 0 0 4.1108 -2.5652 0.0000 C 0 0 7.1288 -5.1419 0.0000 C 0 0 6.3867 -6.4465 0.0000 C 0 0 4.8867 -6.4531 0.0000 C 0 0 4.1424 -7.7554 0.0000 C 0 0 4.8981 -9.0512 0.0000 C 0 0 6.3980 -9.0446 0.0000 C 0 0 7.1424 -7.7423 0.0000 C 0 0 4.8506 -1.2602 0.0000 N 0 3 6.3709 -3.8465 0.0000 N 0 3 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 14 1 0 5 6 1 0 6 7 2 0 6 11 1 0 7 8 1 0 8 9 1 0 9 10 1 0 11 12 2 0 11 13 1 0 13 14 1 0 13 15 1 1 15 27 1 0 16 17 1 0 16 27 1 0 17 28 1 0 18 19 1 0 18 28 1 0 19 27 1 0 20 21 1 0 20 28 1 0 21 26 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 M CHG 2 27 1 28 1 M END > ZINC03814284 > 10 $$$$ SciTegic07110717162D 28 31 0 0 0 0 999 V2000 -3.6251 2.6919 0.0000 C 0 0 -3.6187 1.4919 0.0000 O 0 0 -2.3155 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -3.6187 -1.4919 0.0000 O 0 0 -3.6251 -2.6919 0.0000 C 0 0 1.7138 -1.2033 0.0000 C 0 0 2 0 0 0 2.5889 0.0182 0.0000 C 0 0 1 0 0 0 1.7138 1.2033 0.0000 C 0 0 4.0872 0.0320 0.0000 C 0 0 4.8506 -1.2602 0.0000 C 0 0 2 0 0 0 4.1108 -2.5652 0.0000 C 0 0 4.8709 -3.8583 0.0000 C 0 0 7.1107 -2.5417 0.0000 C 0 0 6.3505 -1.2485 0.0000 C 0 0 7.1341 -5.1388 0.0000 C 0 0 8.6349 -5.1249 0.0000 C 0 0 9.3703 -3.8175 0.0000 C 0 0 10.8702 -3.8005 0.0000 C 0 0 11.6348 -5.0910 0.0000 C 0 0 10.8995 -6.3984 0.0000 C 0 0 9.3996 -6.4154 0.0000 C 0 0 2.0907 -2.3426 0.0000 O 0 0 6.3709 -3.8465 0.0000 N 0 3 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 13 1 0 5 6 1 0 6 7 2 0 6 11 1 0 7 8 1 0 8 9 1 0 9 10 1 0 11 12 1 0 11 27 1 6 12 13 1 0 12 14 1 1 15 14 1 1 15 19 1 0 15 16 1 0 16 17 1 0 17 28 1 0 18 19 1 0 18 28 1 0 20 21 1 0 20 28 1 0 21 26 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 M CHG 1 28 1 M END > ZINC03814291 > 10 $$$$ SciTegic07110717162D 28 31 0 0 0 0 999 V2000 -3.6251 2.6919 0.0000 C 0 0 -3.6187 1.4919 0.0000 O 0 0 -2.3155 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -3.6187 -1.4919 0.0000 O 0 0 -3.6251 -2.6919 0.0000 C 0 0 1.7138 -1.2033 0.0000 C 0 0 2.0907 -2.3426 0.0000 O 0 0 2.5889 0.0182 0.0000 C 0 0 1 0 0 0 1.7138 1.2033 0.0000 C 0 0 4.0872 0.0320 0.0000 C 0 0 4.8506 -1.2602 0.0000 C 0 0 2 0 0 0 4.1108 -2.5652 0.0000 C 0 0 4.8709 -3.8583 0.0000 C 0 0 7.1107 -2.5417 0.0000 C 0 0 6.3505 -1.2485 0.0000 C 0 0 7.1341 -5.1388 0.0000 C 0 0 8.6349 -5.1249 0.0000 C 0 0 9.3703 -3.8175 0.0000 C 0 0 10.8702 -3.8005 0.0000 C 0 0 11.6348 -5.0910 0.0000 C 0 0 10.8995 -6.3984 0.0000 C 0 0 9.3996 -6.4154 0.0000 C 0 0 6.3709 -3.8465 0.0000 N 0 3 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 14 1 0 5 6 1 0 6 7 2 0 6 11 1 0 7 8 1 0 8 9 1 0 9 10 1 0 11 12 2 0 11 13 1 0 13 14 1 0 13 15 1 1 16 15 1 1 16 20 1 0 16 17 1 0 17 18 1 0 18 28 1 0 19 20 1 0 19 28 1 0 21 22 1 0 21 28 1 0 22 27 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 M CHG 1 28 1 M END > ZINC03779000 > 10 $$$$ SciTegic07110717162D 29 32 0 0 0 0 999 V2000 8.6404 7.6367 0.0000 C 0 0 9.2521 6.6043 0.0000 C 0 0 10.7520 6.6213 0.0000 C 0 0 11.5167 5.3308 0.0000 C 0 0 10.7815 4.0234 0.0000 C 0 0 9.2816 4.0064 0.0000 C 0 0 8.5168 5.2969 0.0000 C 0 0 7.0161 5.2768 0.0000 C 0 0 4.7825 3.9454 0.0000 C 0 0 4.0518 2.6354 0.0000 C 0 0 4.8208 1.3475 0.0000 C 0 0 1 0 0 0 6.3207 1.3698 0.0000 C 0 0 7.0514 2.6798 0.0000 C 0 0 4.0872 0.0382 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 2 0 0 0 1.7138 1.2033 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 C 0 0 2.0907 -2.3426 0.0000 O 0 0 -3.6187 -1.4919 0.0000 O 0 0 -3.6251 -2.6919 0.0000 C 0 0 -3.6187 1.4919 0.0000 O 0 0 -3.6251 2.6919 0.0000 C 0 0 6.2823 3.9676 0.0000 N 0 3 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 29 1 0 9 10 1 0 9 29 1 0 10 11 1 0 11 12 1 0 11 14 1 1 12 13 1 0 13 29 1 0 15 14 1 1 15 23 1 0 15 16 1 0 16 17 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 19 27 1 0 20 21 2 0 20 25 1 0 21 22 1 0 22 23 1 0 23 24 2 0 25 26 1 0 27 28 1 0 M CHG 1 29 1 M END > ZINC03814285 > 10 $$$$ SciTegic07110717162D 29 32 0 0 0 0 999 V2000 11.3932 2.9910 0.0000 C 0 0 10.7815 4.0234 0.0000 C 0 0 11.5167 5.3308 0.0000 C 0 0 10.7520 6.6213 0.0000 C 0 0 9.2521 6.6043 0.0000 C 0 0 8.5168 5.2969 0.0000 C 0 0 9.2816 4.0064 0.0000 C 0 0 7.0161 5.2768 0.0000 C 0 0 4.7825 3.9454 0.0000 C 0 0 4.0518 2.6354 0.0000 C 0 0 4.8208 1.3475 0.0000 C 0 0 1 0 0 0 6.3207 1.3698 0.0000 C 0 0 7.0514 2.6798 0.0000 C 0 0 4.0872 0.0382 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 2 0 0 0 1.7138 1.2033 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 C 0 0 2.0907 -2.3426 0.0000 O 0 0 -3.6187 -1.4919 0.0000 O 0 0 -3.6251 -2.6919 0.0000 C 0 0 -3.6187 1.4919 0.0000 O 0 0 -3.6251 2.6919 0.0000 C 0 0 6.2823 3.9676 0.0000 N 0 3 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 6 8 1 0 8 29 1 0 9 10 1 0 9 29 1 0 10 11 1 0 11 12 1 0 11 14 1 1 12 13 1 0 13 29 1 0 15 14 1 1 15 23 1 0 15 16 1 0 16 17 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 19 27 1 0 20 21 2 0 20 25 1 0 21 22 1 0 22 23 1 0 23 24 2 0 25 26 1 0 27 28 1 0 M CHG 1 29 1 M END > ZINC03814286 > 10 $$$$ SciTegic07110717162D 29 32 0 0 0 0 999 V2000 12.7166 5.3444 0.0000 C 0 0 11.5167 5.3308 0.0000 C 0 0 10.7520 6.6213 0.0000 C 0 0 9.2521 6.6043 0.0000 C 0 0 8.5168 5.2969 0.0000 C 0 0 9.2816 4.0064 0.0000 C 0 0 10.7815 4.0234 0.0000 C 0 0 7.0161 5.2768 0.0000 C 0 0 4.7825 3.9454 0.0000 C 0 0 4.0518 2.6354 0.0000 C 0 0 4.8208 1.3475 0.0000 C 0 0 1 0 0 0 6.3207 1.3698 0.0000 C 0 0 7.0514 2.6798 0.0000 C 0 0 4.0872 0.0382 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 2 0 0 0 1.7138 1.2033 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 C 0 0 2.0907 -2.3426 0.0000 O 0 0 -3.6187 -1.4919 0.0000 O 0 0 -3.6251 -2.6919 0.0000 C 0 0 -3.6187 1.4919 0.0000 O 0 0 -3.6251 2.6919 0.0000 C 0 0 6.2823 3.9676 0.0000 N 0 3 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 5 8 1 0 6 7 1 0 8 29 1 0 9 10 1 0 9 29 1 0 10 11 1 0 11 12 1 0 11 14 1 1 12 13 1 0 13 29 1 0 15 14 1 1 15 23 1 0 15 16 1 0 16 17 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 19 27 1 0 20 21 2 0 20 25 1 0 21 22 1 0 22 23 1 0 23 24 2 0 25 26 1 0 27 28 1 0 M CHG 1 29 1 M END > ZINC03814287 > 10 $$$$ SciTegic07110717162D 30 33 0 0 0 0 999 V2000 -3.6251 2.6919 0.0000 C 0 0 -3.6187 1.4919 0.0000 O 0 0 -2.3155 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -3.6187 -1.4919 0.0000 O 0 0 -3.6251 -2.6919 0.0000 C 0 0 -0.9971 -3.0138 0.0000 O 0 0 -2.0337 -3.6184 0.0000 C 0 0 1.7138 -1.2033 0.0000 C 0 0 2.0907 -2.3426 0.0000 O 0 0 2.5889 0.0182 0.0000 C 0 0 1 0 0 0 1.7138 1.2033 0.0000 C 0 0 4.0872 0.0320 0.0000 C 0 0 4.8506 -1.2602 0.0000 C 0 0 1 0 0 0 4.1108 -2.5652 0.0000 C 0 0 4.8709 -3.8583 0.0000 C 0 0 7.1107 -2.5417 0.0000 C 0 0 6.3505 -1.2485 0.0000 C 0 0 7.1341 -5.1388 0.0000 C 0 0 8.6349 -5.1249 0.0000 C 0 0 9.3703 -3.8175 0.0000 C 0 0 10.8702 -3.8005 0.0000 C 0 0 11.6348 -5.0910 0.0000 C 0 0 10.8995 -6.3984 0.0000 C 0 0 9.3996 -6.4154 0.0000 C 0 0 6.3709 -3.8465 0.0000 N 0 3 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 16 1 0 5 6 1 0 6 7 2 0 6 13 1 0 7 8 1 0 7 11 1 0 8 9 1 0 9 10 1 0 11 12 1 0 13 14 2 0 13 15 1 0 15 16 1 0 15 17 1 1 18 17 1 6 18 22 1 0 18 19 1 0 19 20 1 0 20 30 1 0 21 22 1 0 21 30 1 0 23 24 1 0 23 30 1 0 24 29 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 M CHG 1 30 1 M END > ZINC03814281 > 10 $$$$ SciTegic07110717162D 31 34 0 0 0 0 999 V2000 -3.6251 2.6919 0.0000 C 0 0 -3.6187 1.4919 0.0000 O 0 0 -2.3155 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -3.6187 -1.4919 0.0000 O 0 0 -3.6251 -2.6919 0.0000 C 0 0 1.7138 -1.2033 0.0000 C 0 0 2.0907 -2.3426 0.0000 O 0 0 2.5889 0.0182 0.0000 C 0 0 1 0 0 0 1.7138 1.2033 0.0000 C 0 0 4.0872 0.0320 0.0000 C 0 0 4.8506 -1.2602 0.0000 C 0 0 2 0 0 0 4.1108 -2.5652 0.0000 C 0 0 4.8709 -3.8583 0.0000 C 0 0 7.1107 -2.5417 0.0000 C 0 0 6.3505 -1.2485 0.0000 C 0 0 7.1341 -5.1388 0.0000 C 0 0 8.6349 -5.1249 0.0000 C 0 0 9.3703 -3.8175 0.0000 C 0 0 10.8702 -3.8005 0.0000 C 0 0 11.6348 -5.0910 0.0000 C 0 0 10.8995 -6.3984 0.0000 C 0 0 9.3996 -6.4154 0.0000 C 0 0 13.1356 -5.0771 0.0000 N 0 3 13.7458 -6.1104 0.0000 O 0 0 13.7256 -4.0322 0.0000 O 0 5 6.3709 -3.8465 0.0000 N 0 3 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 14 1 0 5 6 1 0 6 7 2 0 6 11 1 0 7 8 1 0 8 9 1 0 9 10 1 0 11 12 2 0 11 13 1 0 13 14 1 0 13 15 1 1 16 15 1 1 16 20 1 0 16 17 1 0 17 18 1 0 18 31 1 0 19 20 1 0 19 31 1 0 21 22 1 0 21 31 1 0 22 27 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 25 28 1 0 26 27 1 0 28 29 2 0 28 30 1 0 M CHG 3 28 1 30 -1 31 1 M END > ZINC03814289 > 10 $$$$ SciTegic07110717162D 31 34 0 0 0 0 999 V2000 -3.6251 2.6919 0.0000 C 0 0 -3.6187 1.4919 0.0000 O 0 0 -2.3155 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -3.6187 -1.4919 0.0000 O 0 0 -3.6251 -2.6919 0.0000 C 0 0 1.7138 -1.2033 0.0000 C 0 0 2.0907 -2.3426 0.0000 O 0 0 2.5889 0.0182 0.0000 C 0 0 1 0 0 0 1.7138 1.2033 0.0000 C 0 0 4.0872 0.0320 0.0000 C 0 0 4.8506 -1.2602 0.0000 C 0 0 2 0 0 0 4.1108 -2.5652 0.0000 C 0 0 4.8709 -3.8583 0.0000 C 0 0 7.1107 -2.5417 0.0000 C 0 0 6.3505 -1.2485 0.0000 C 0 0 7.1341 -5.1388 0.0000 C 0 0 8.6349 -5.1249 0.0000 C 0 0 9.3703 -3.8175 0.0000 C 0 0 10.8702 -3.8005 0.0000 C 0 0 11.6348 -5.0910 0.0000 C 0 0 10.8995 -6.3984 0.0000 C 0 0 9.3996 -6.4154 0.0000 C 0 0 8.6667 -7.7251 0.0000 N 0 3 9.2799 -8.7566 0.0000 O 0 0 7.4668 -7.7408 0.0000 O 0 5 6.3709 -3.8465 0.0000 N 0 3 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 14 1 0 5 6 1 0 6 7 2 0 6 11 1 0 7 8 1 0 8 9 1 0 9 10 1 0 11 12 2 0 11 13 1 0 13 14 1 0 13 15 1 1 16 15 1 1 16 20 1 0 16 17 1 0 17 18 1 0 18 31 1 0 19 20 1 0 19 31 1 0 21 22 1 0 21 31 1 0 22 27 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 1 0 28 29 2 0 28 30 1 0 M CHG 3 28 1 30 -1 31 1 M END > ZINC03814288 > 10 $$$$ SciTegic07110717162D 31 34 0 0 0 0 999 V2000 -3.6251 2.6919 0.0000 C 0 0 -3.6187 1.4919 0.0000 O 0 0 -2.3155 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -3.6187 -1.4919 0.0000 O 0 0 -3.6251 -2.6919 0.0000 C 0 0 1.7138 -1.2033 0.0000 C 0 0 2.0907 -2.3426 0.0000 O 0 0 2.5889 0.0182 0.0000 C 0 0 1 0 0 0 1.7138 1.2033 0.0000 C 0 0 4.0872 0.0320 0.0000 C 0 0 4.8506 -1.2602 0.0000 C 0 0 2 0 0 0 4.1108 -2.5652 0.0000 C 0 0 4.8709 -3.8583 0.0000 C 0 0 7.1107 -2.5417 0.0000 C 0 0 6.3505 -1.2485 0.0000 C 0 0 7.1341 -5.1388 0.0000 C 0 0 8.6349 -5.1249 0.0000 C 0 0 9.3703 -3.8175 0.0000 C 0 0 10.8702 -3.8005 0.0000 C 0 0 11.6348 -5.0910 0.0000 C 0 0 10.8995 -6.3984 0.0000 C 0 0 9.3996 -6.4154 0.0000 C 0 0 11.6619 -7.6912 0.0000 N 0 3 11.0722 -8.7363 0.0000 O 0 0 12.8618 -7.6797 0.0000 O 0 5 6.3709 -3.8465 0.0000 N 0 3 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 14 1 0 5 6 1 0 6 7 2 0 6 11 1 0 7 8 1 0 8 9 1 0 9 10 1 0 11 12 2 0 11 13 1 0 13 14 1 0 13 15 1 1 16 15 1 1 16 20 1 0 16 17 1 0 17 18 1 0 18 31 1 0 19 20 1 0 19 31 1 0 21 22 1 0 21 31 1 0 22 27 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 26 28 1 0 28 29 2 0 28 30 1 0 M CHG 3 28 1 30 -1 31 1 M END > ZINC03789953 > 10 $$$$ SciTegic07110717162D 25 27 0 0 0 0 999 V2000 6.2321 -3.6062 0.0000 C 0 0 5.1929 -3.0062 0.0000 C 0 0 5.1932 -1.8062 0.0000 O 0 0 3.8933 -3.7570 0.0000 N 0 0 2.5951 -3.0039 0.0000 C 0 0 2.5973 -1.5031 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 2 0 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5973 1.5031 0.0000 C 0 0 -2.5951 3.0039 0.0000 C 0 0 -1.2935 3.7495 0.0000 C 0 0 -1.2883 5.2495 0.0000 C 0 0 -2.5847 6.0040 0.0000 C 0 0 -3.8864 5.2585 0.0000 C 0 0 -3.8916 3.7585 0.0000 C 0 0 3.8912 -5.2578 0.0000 C 0 0 2.5895 -6.0034 0.0000 C 0 0 2.5844 -7.5034 0.0000 C 0 0 3.8808 -8.2579 0.0000 N 0 0 5.1824 -7.5124 0.0000 C 0 0 5.1876 -6.0124 0.0000 C 0 0 -1.2990 0.7500 0.0000 N 0 3 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 4 19 1 0 5 6 1 0 7 6 1 6 7 11 1 0 7 8 1 0 8 9 1 0 9 25 1 0 10 11 1 0 10 25 1 0 12 13 1 0 12 25 1 0 13 18 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 19 24 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 M CHG 1 25 1 M END > ZINC03814248 > 11 $$$$ SciTegic07110717162D 25 27 0 0 0 0 999 V2000 6.2321 -3.6062 0.0000 C 0 0 5.1929 -3.0062 0.0000 C 0 0 5.1932 -1.8062 0.0000 O 0 0 3.8933 -3.7570 0.0000 N 0 0 2.5951 -3.0039 0.0000 C 0 0 2.5973 -1.5031 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 2 0 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5973 1.5031 0.0000 C 0 0 -2.5951 3.0039 0.0000 C 0 0 -1.2935 3.7495 0.0000 C 0 0 -1.2883 5.2495 0.0000 C 0 0 -2.5847 6.0040 0.0000 C 0 0 -3.8864 5.2585 0.0000 C 0 0 -3.8916 3.7585 0.0000 C 0 0 3.8912 -5.2578 0.0000 C 0 0 2.5895 -6.0034 0.0000 C 0 0 2.5844 -7.5034 0.0000 C 0 0 3.8808 -8.2579 0.0000 C 0 0 5.1824 -7.5124 0.0000 C 0 0 5.1876 -6.0124 0.0000 C 0 0 -1.2990 0.7500 0.0000 N 0 3 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 4 19 1 0 5 6 1 0 7 6 1 6 7 11 1 0 7 8 1 0 8 9 1 0 9 25 1 0 10 11 1 0 10 25 1 0 12 13 1 0 12 25 1 0 13 18 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 19 24 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 M CHG 1 25 1 M END > ZINC03814242 > 11 $$$$ SciTegic07110717162D 26 28 0 0 0 0 999 V2000 6.2321 -3.6062 0.0000 C 0 0 5.1929 -3.0062 0.0000 C 0 0 5.1932 -1.8062 0.0000 O 0 0 3.8933 -3.7570 0.0000 N 0 0 2.5951 -3.0039 0.0000 C 0 0 2.5973 -1.5031 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 2 0 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5973 1.5031 0.0000 C 0 0 -2.5951 3.0039 0.0000 C 0 0 -1.2935 3.7495 0.0000 C 0 0 -1.2883 5.2495 0.0000 C 0 0 -2.5847 6.0040 0.0000 C 0 0 -3.8864 5.2585 0.0000 C 0 0 -3.8916 3.7585 0.0000 C 0 0 3.8912 -5.2578 0.0000 C 0 0 2.5895 -6.0034 0.0000 C 0 0 2.5844 -7.5034 0.0000 C 0 0 3.8808 -8.2579 0.0000 C 0 0 5.1824 -7.5124 0.0000 C 0 0 5.1876 -6.0124 0.0000 C 0 0 3.8767 -9.4579 0.0000 F 0 0 -1.2990 0.7500 0.0000 N 0 3 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 4 19 1 0 5 6 1 0 7 6 1 6 7 11 1 0 7 8 1 0 8 9 1 0 9 26 1 0 10 11 1 0 10 26 1 0 12 13 1 0 12 26 1 0 13 18 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 19 24 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 22 25 1 0 23 24 1 0 M CHG 1 26 1 M END > ZINC03814247 > 11 $$$$ SciTegic07110717162D 26 28 0 0 0 0 999 V2000 6.2324 -0.9050 0.0000 C 0 0 5.1933 -1.5053 0.0000 C 0 0 5.1929 -3.0062 0.0000 C 0 0 6.2321 -3.6062 0.0000 O 0 0 3.8933 -3.7570 0.0000 N 0 0 2.5951 -3.0039 0.0000 C 0 0 2.5973 -1.5031 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 2 0 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5973 1.5031 0.0000 C 0 0 -2.5951 3.0039 0.0000 C 0 0 -1.2935 3.7495 0.0000 C 0 0 -1.2883 5.2495 0.0000 C 0 0 -2.5847 6.0040 0.0000 C 0 0 -3.8864 5.2585 0.0000 C 0 0 -3.8916 3.7585 0.0000 C 0 0 3.8912 -5.2578 0.0000 C 0 0 2.5895 -6.0034 0.0000 C 0 0 2.5844 -7.5034 0.0000 C 0 0 3.8808 -8.2579 0.0000 C 0 0 5.1824 -7.5124 0.0000 C 0 0 5.1876 -6.0124 0.0000 C 0 0 -1.2990 0.7500 0.0000 N 0 3 1 2 1 0 2 3 1 0 3 4 2 0 3 5 1 0 5 6 1 0 5 20 1 0 6 7 1 0 8 7 1 6 8 12 1 0 8 9 1 0 9 10 1 0 10 26 1 0 11 12 1 0 11 26 1 0 13 14 1 0 13 26 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 20 25 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 M CHG 1 26 1 M END > ZINC03814243 > 11 $$$$ SciTegic07110717162D 26 28 0 0 0 0 999 V2000 6.2321 -3.6062 0.0000 C 0 0 5.1929 -3.0062 0.0000 C 0 0 5.1932 -1.8062 0.0000 O 0 0 3.8933 -3.7570 0.0000 N 0 0 2.5951 -3.0039 0.0000 C 0 0 2.5973 -1.5031 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 2 0 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5973 1.5031 0.0000 C 0 0 -2.5951 3.0039 0.0000 C 0 0 -1.2935 3.7495 0.0000 C 0 0 -1.2883 5.2495 0.0000 C 0 0 -2.5847 6.0040 0.0000 C 0 0 -3.8864 5.2585 0.0000 C 0 0 -3.8916 3.7585 0.0000 C 0 0 3.8912 -5.2578 0.0000 C 0 0 2.5895 -6.0034 0.0000 C 0 0 2.5844 -7.5034 0.0000 C 0 0 3.8808 -8.2579 0.0000 C 0 0 5.1824 -7.5124 0.0000 C 0 0 5.1876 -6.0124 0.0000 C 0 0 6.2196 -8.1160 0.0000 F 0 0 -1.2990 0.7500 0.0000 N 0 3 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 4 19 1 0 5 6 1 0 7 6 1 6 7 11 1 0 7 8 1 0 8 9 1 0 9 26 1 0 10 11 1 0 10 26 1 0 12 13 1 0 12 26 1 0 13 18 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 19 24 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 23 25 1 0 M CHG 1 26 1 M END > ZINC03814246 > 11 $$$$ SciTegic07110717162D 27 29 0 0 0 0 999 V2000 6.2321 -3.6062 0.0000 C 0 0 5.1929 -3.0062 0.0000 C 0 0 5.1932 -1.8062 0.0000 O 0 0 3.8933 -3.7570 0.0000 N 0 0 2.5951 -3.0039 0.0000 C 0 0 2.5973 -1.5031 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 2 0 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5973 1.5031 0.0000 C 0 0 -2.5951 3.0039 0.0000 C 0 0 -1.2935 3.7495 0.0000 C 0 0 -1.2883 5.2495 0.0000 C 0 0 -2.5847 6.0040 0.0000 C 0 0 -3.8864 5.2585 0.0000 C 0 0 -3.8916 3.7585 0.0000 C 0 0 3.8912 -5.2578 0.0000 C 0 0 2.5895 -6.0034 0.0000 C 0 0 2.5844 -7.5034 0.0000 C 0 0 3.8808 -8.2579 0.0000 C 0 0 5.1824 -7.5124 0.0000 C 0 0 5.1876 -6.0124 0.0000 C 0 0 6.4811 -8.2646 0.0000 O 0 0 7.5216 -7.6667 0.0000 C 0 0 -1.2990 0.7500 0.0000 N 0 3 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 4 19 1 0 5 6 1 0 7 6 1 6 7 11 1 0 7 8 1 0 8 9 1 0 9 27 1 0 10 11 1 0 10 27 1 0 12 13 1 0 12 27 1 0 13 18 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 19 24 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 23 25 1 0 25 26 1 0 M CHG 1 27 1 M END > ZINC03814244 > 11 $$$$ SciTegic07110717162D 27 29 0 0 0 0 999 V2000 6.2321 -3.6062 0.0000 C 0 0 5.1929 -3.0062 0.0000 C 0 0 5.1932 -1.8062 0.0000 O 0 0 3.8933 -3.7570 0.0000 N 0 0 2.5951 -3.0039 0.0000 C 0 0 2.5973 -1.5031 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 1 0 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5973 1.5031 0.0000 C 0 0 -2.5951 3.0039 0.0000 C 0 0 -1.2935 3.7495 0.0000 C 0 0 -1.2883 5.2495 0.0000 C 0 0 -2.5847 6.0040 0.0000 C 0 0 -3.8864 5.2585 0.0000 C 0 0 -3.8916 3.7585 0.0000 C 0 0 3.8912 -5.2578 0.0000 C 0 0 2.5895 -6.0034 0.0000 C 0 0 2.5844 -7.5034 0.0000 C 0 0 3.8808 -8.2579 0.0000 C 0 0 5.1824 -7.5124 0.0000 C 0 0 5.1876 -6.0124 0.0000 C 0 0 3.8787 -9.7587 0.0000 O 0 0 4.9167 -10.3608 0.0000 C 0 0 -1.2990 0.7500 0.0000 N 0 3 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 4 19 1 0 5 6 1 0 7 6 1 1 7 11 1 0 7 8 1 0 8 9 1 0 9 27 1 0 10 11 1 0 10 27 1 0 12 13 1 0 12 27 1 0 13 18 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 19 24 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 22 25 1 0 23 24 1 0 25 26 1 0 M CHG 1 27 1 M END > ZINC03814245 > 11 $$$$ SciTegic07110717162D 25 28 0 0 0 0 999 V2000 13.0169 5.3518 0.0000 C 0 0 13.7862 4.0640 0.0000 C 0 0 13.0556 2.7540 0.0000 C 0 0 11.5558 2.7316 0.0000 C 0 0 10.7865 4.0194 0.0000 C 0 0 11.5171 5.3294 0.0000 C 0 0 10.8221 1.4223 0.0000 C 0 0 8.5863 0.0945 0.0000 C 0 0 7.0864 0.0773 0.0000 C 0 0 6.3215 1.3677 0.0000 C 0 0 1 0 0 0 7.0567 2.6752 0.0000 C 0 0 8.5566 2.6924 0.0000 C 0 0 4.8208 1.3475 0.0000 C 0 0 4.0872 0.0382 0.0000 C 0 0 2.5889 0.0182 0.0000 N 0 0 1.7138 1.2033 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 C 0 0 2.0907 -2.3426 0.0000 O 0 0 9.3214 1.4020 0.0000 N 0 3 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 25 1 0 8 9 1 0 8 25 1 0 9 10 1 0 10 11 1 0 10 13 1 6 11 12 1 0 12 25 1 0 13 14 1 0 14 15 1 0 15 23 1 0 15 16 1 0 16 17 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 1 0 23 24 2 0 M CHG 1 25 1 M END > ZINC03814251 > 12 $$$$ SciTegic07110717162D 26 29 0 0 0 0 999 V2000 13.0169 5.3518 0.0000 C 0 0 13.7862 4.0640 0.0000 C 0 0 13.0556 2.7540 0.0000 C 0 0 11.5558 2.7316 0.0000 C 0 0 10.7865 4.0194 0.0000 C 0 0 11.5171 5.3294 0.0000 C 0 0 10.8221 1.4223 0.0000 C 0 0 8.5863 0.0945 0.0000 C 0 0 7.0864 0.0773 0.0000 C 0 0 6.3215 1.3677 0.0000 C 0 0 1 0 0 0 7.0567 2.6752 0.0000 C 0 0 8.5566 2.6924 0.0000 C 0 0 4.8208 1.3475 0.0000 C 0 0 4.0872 0.0382 0.0000 C 0 0 2.5889 0.0182 0.0000 N 0 0 1.7138 1.2033 0.0000 C 0 0 2.0825 2.3453 0.0000 O 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 N 0 0 0.2917 -0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 C 0 0 2.0907 -2.3426 0.0000 O 0 0 9.3214 1.4020 0.0000 N 0 3 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 26 1 0 8 9 1 0 8 26 1 0 9 10 1 0 10 11 1 0 10 13 1 6 11 12 1 0 12 26 1 0 13 14 1 0 14 15 1 0 15 24 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 23 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 1 0 24 25 2 0 M CHG 1 26 1 M END > ZINC03814229 > 12 $$$$ SciTegic07110717162D 26 29 0 0 0 0 999 V2000 13.0169 5.3518 0.0000 C 0 0 13.7862 4.0640 0.0000 C 0 0 13.0556 2.7540 0.0000 C 0 0 11.5558 2.7316 0.0000 C 0 0 10.7865 4.0194 0.0000 C 0 0 11.5171 5.3294 0.0000 C 0 0 10.8221 1.4223 0.0000 C 0 0 8.5863 0.0945 0.0000 C 0 0 7.0864 0.0773 0.0000 C 0 0 6.3215 1.3677 0.0000 C 0 0 1 0 0 0 7.0567 2.6752 0.0000 C 0 0 8.5566 2.6924 0.0000 C 0 0 4.8208 1.3475 0.0000 C 0 0 4.0872 0.0382 0.0000 C 0 0 2.5889 0.0182 0.0000 N 0 0 1.7138 1.2033 0.0000 C 0 0 2.0825 2.3453 0.0000 O 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 C 0 0 2.0907 -2.3426 0.0000 O 0 0 9.3214 1.4020 0.0000 N 0 3 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 26 1 0 8 9 1 0 8 26 1 0 9 10 1 0 10 11 1 0 10 13 1 6 11 12 1 0 12 26 1 0 13 14 1 0 14 15 1 0 15 24 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 23 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 1 0 24 25 2 0 M CHG 1 26 1 M END > ZINC03814216 > 12 $$$$ SciTegic07110717162D 27 30 0 0 0 0 999 V2000 13.0169 5.3518 0.0000 C 0 0 13.7862 4.0640 0.0000 C 0 0 13.0556 2.7540 0.0000 C 0 0 11.5558 2.7316 0.0000 C 0 0 10.7865 4.0194 0.0000 C 0 0 11.5171 5.3294 0.0000 C 0 0 10.8221 1.4223 0.0000 C 0 0 8.5863 0.0945 0.0000 C 0 0 7.0864 0.0773 0.0000 C 0 0 6.3215 1.3677 0.0000 C 0 0 1 0 0 0 7.0567 2.6752 0.0000 C 0 0 8.5566 2.6924 0.0000 C 0 0 4.8208 1.3475 0.0000 C 0 0 4.0872 0.0382 0.0000 C 0 0 2.5889 0.0182 0.0000 N 0 0 1.7138 1.2033 0.0000 C 0 0 2.0825 2.3453 0.0000 O 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 C 0 0 2.0907 -2.3426 0.0000 O 0 0 -0.9991 -2.7132 0.0000 N 0 0 9.3214 1.4020 0.0000 N 0 3 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 27 1 0 8 9 1 0 8 27 1 0 9 10 1 0 10 11 1 0 10 13 1 6 11 12 1 0 12 27 1 0 13 14 1 0 14 15 1 0 15 24 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 23 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 22 26 1 0 23 24 1 0 24 25 2 0 M CHG 1 27 1 M END > ZINC03814227 > 12 $$$$ SciTegic07110717162D 27 30 0 0 0 0 999 V2000 13.0169 5.3518 0.0000 C 0 0 13.7862 4.0640 0.0000 C 0 0 13.0556 2.7540 0.0000 C 0 0 11.5558 2.7316 0.0000 C 0 0 10.7865 4.0194 0.0000 C 0 0 11.5171 5.3294 0.0000 C 0 0 10.8221 1.4223 0.0000 C 0 0 8.5863 0.0945 0.0000 C 0 0 7.0864 0.0773 0.0000 C 0 0 6.3215 1.3677 0.0000 C 0 0 1 0 0 0 7.0567 2.6752 0.0000 C 0 0 8.5566 2.6924 0.0000 C 0 0 4.8208 1.3475 0.0000 C 0 0 4.0872 0.0382 0.0000 C 0 0 2.5889 0.0182 0.0000 N 0 0 1.7138 1.2033 0.0000 C 0 0 2.0825 2.3453 0.0000 O 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 C 0 0 2.0907 -2.3426 0.0000 O 0 0 -3.3560 -1.3452 0.0000 N 0 0 9.3214 1.4020 0.0000 N 0 3 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 27 1 0 8 9 1 0 8 27 1 0 9 10 1 0 10 11 1 0 10 13 1 6 11 12 1 0 12 27 1 0 13 14 1 0 14 15 1 0 15 24 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 23 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 21 26 1 0 22 23 1 0 23 24 1 0 24 25 2 0 M CHG 1 27 1 M END > ZINC03814220 > 12 $$$$ SciTegic07110717162D 28 31 0 0 0 0 999 V2000 -4.6560 0.8780 0.0000 C 0 0 -3.6217 1.4865 0.0000 O 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 2.0825 2.3453 0.0000 O 0 0 2.5889 0.0182 0.0000 N 0 0 1.7138 -1.2033 0.0000 C 0 0 2.0907 -2.3426 0.0000 O 0 0 4.0872 0.0320 0.0000 C 0 0 4.8506 -1.2602 0.0000 C 0 0 6.3513 -1.2462 0.0000 C 0 0 2 0 0 0 7.0866 0.0613 0.0000 C 0 0 8.5865 0.0783 0.0000 C 0 0 8.6160 -2.5196 0.0000 C 0 0 7.1161 -2.5367 0.0000 C 0 0 10.8520 -1.1982 0.0000 C 0 0 11.6153 -2.4905 0.0000 C 0 0 10.8756 -3.7955 0.0000 C 0 0 11.6358 -5.0885 0.0000 C 0 0 13.1357 -5.0767 0.0000 C 0 0 13.8755 -3.7718 0.0000 C 0 0 13.1152 -2.4787 0.0000 C 0 0 9.3512 -1.2122 0.0000 N 0 3 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 12 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 11 14 1 0 12 13 2 0 14 15 1 0 16 15 1 6 16 20 1 0 16 17 1 0 17 18 1 0 18 28 1 0 19 20 1 0 19 28 1 0 21 22 1 0 21 28 1 0 22 27 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 M CHG 1 28 1 M END > ZINC03814223 > 12 $$$$ SciTegic07110717162D 29 32 0 0 0 0 999 V2000 13.0169 5.3518 0.0000 C 0 0 13.7862 4.0640 0.0000 C 0 0 13.0556 2.7540 0.0000 C 0 0 11.5558 2.7316 0.0000 C 0 0 10.7865 4.0194 0.0000 C 0 0 11.5171 5.3294 0.0000 C 0 0 10.8221 1.4223 0.0000 C 0 0 8.5863 0.0945 0.0000 C 0 0 7.0864 0.0773 0.0000 C 0 0 6.3215 1.3677 0.0000 C 0 0 1 0 0 0 7.0567 2.6752 0.0000 C 0 0 8.5566 2.6924 0.0000 C 0 0 4.8208 1.3475 0.0000 C 0 0 4.0872 0.0382 0.0000 C 0 0 2.5889 0.0182 0.0000 N 0 0 1.7138 1.2033 0.0000 C 0 0 2.0825 2.3453 0.0000 O 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 C 0 0 2.0907 -2.3426 0.0000 O 0 0 -3.6187 -1.4919 0.0000 N 0 3 -3.6251 -2.6919 0.0000 O 0 0 -4.6549 -0.8867 0.0000 O 0 5 9.3214 1.4020 0.0000 N 0 3 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 29 1 0 8 9 1 0 8 29 1 0 9 10 1 0 10 11 1 0 10 13 1 6 11 12 1 0 12 29 1 0 13 14 1 0 14 15 1 0 15 24 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 23 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 21 26 1 0 22 23 1 0 23 24 1 0 24 25 2 0 26 27 2 0 26 28 1 0 M CHG 3 26 1 28 -1 29 1 M END > ZINC03814217 > 12 $$$$ SciTegic07110717162D 29 32 0 0 0 0 999 V2000 -3.6251 2.6919 0.0000 C 0 0 -3.6187 1.4919 0.0000 O 0 0 -2.3155 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -3.6187 -1.4919 0.0000 O 0 0 -3.6251 -2.6919 0.0000 C 0 0 1.7138 -1.2033 0.0000 C 0 0 2.0907 -2.3426 0.0000 O 0 0 2.5889 0.0182 0.0000 C 0 0 2 0 0 0 1.7138 1.2033 0.0000 C 0 0 4.0872 0.0320 0.0000 C 0 0 4.8506 -1.2602 0.0000 C 0 0 6.3513 -1.2462 0.0000 C 0 0 2 0 0 0 7.0866 0.0613 0.0000 C 0 0 8.5865 0.0783 0.0000 C 0 0 8.6160 -2.5196 0.0000 C 0 0 7.1161 -2.5367 0.0000 C 0 0 10.8520 -1.1982 0.0000 C 0 0 11.6153 -2.4905 0.0000 C 0 0 10.8756 -3.7955 0.0000 C 0 0 11.6358 -5.0885 0.0000 C 0 0 13.1357 -5.0767 0.0000 C 0 0 13.8755 -3.7718 0.0000 C 0 0 13.1152 -2.4787 0.0000 C 0 0 9.3512 -1.2122 0.0000 N 0 3 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 14 1 0 5 6 1 0 6 7 2 0 6 11 1 0 7 8 1 0 8 9 1 0 9 10 1 0 11 12 2 0 11 13 1 0 13 14 1 0 13 15 1 6 15 16 1 0 17 16 1 6 17 21 1 0 17 18 1 0 18 19 1 0 19 29 1 0 20 21 1 0 20 29 1 0 22 23 1 0 22 29 1 0 23 28 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 M CHG 1 29 1 M END > ZINC03814282 > 12 $$$$ SciTegic07110717162D 29 32 0 0 0 0 999 V2000 13.0169 5.3518 0.0000 C 0 0 13.7862 4.0640 0.0000 C 0 0 13.0556 2.7540 0.0000 C 0 0 11.5558 2.7316 0.0000 C 0 0 10.7865 4.0194 0.0000 C 0 0 11.5171 5.3294 0.0000 C 0 0 10.8221 1.4223 0.0000 C 0 0 8.5863 0.0945 0.0000 C 0 0 7.0864 0.0773 0.0000 C 0 0 6.3215 1.3677 0.0000 C 0 0 1 0 0 0 7.0567 2.6752 0.0000 C 0 0 8.5566 2.6924 0.0000 C 0 0 4.8208 1.3475 0.0000 C 0 0 4.0872 0.0382 0.0000 C 0 0 2.5889 0.0182 0.0000 N 0 0 1.7138 1.2033 0.0000 C 0 0 2.0825 2.3453 0.0000 O 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 C 0 0 2.0907 -2.3426 0.0000 O 0 0 -0.9971 -3.0138 0.0000 N 0 3 -2.0337 -3.6184 0.0000 O 0 0 0.0446 -3.6095 0.0000 O 0 5 9.3214 1.4020 0.0000 N 0 3 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 29 1 0 8 9 1 0 8 29 1 0 9 10 1 0 10 11 1 0 10 13 1 6 11 12 1 0 12 29 1 0 13 14 1 0 14 15 1 0 15 24 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 23 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 22 26 1 0 23 24 1 0 24 25 2 0 26 27 2 0 26 28 1 0 M CHG 3 26 1 28 -1 29 1 M END > ZINC03814226 > 12 $$$$ SciTegic07110717162D 30 33 0 0 0 0 999 V2000 -4.9050 -0.4745 0.0000 C 0 0 -4.9153 0.7255 0.0000 C 0 0 -5.9598 1.3162 0.0000 O 0 0 -3.6217 1.4865 0.0000 N 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 2.0825 2.3453 0.0000 O 0 0 2.5889 0.0182 0.0000 N 0 0 1.7138 -1.2033 0.0000 C 0 0 2.0907 -2.3426 0.0000 O 0 0 4.0872 0.0320 0.0000 C 0 0 4.8506 -1.2602 0.0000 C 0 0 6.3513 -1.2462 0.0000 C 0 0 2 0 0 0 7.0866 0.0613 0.0000 C 0 0 8.5865 0.0783 0.0000 C 0 0 8.6160 -2.5196 0.0000 C 0 0 7.1161 -2.5367 0.0000 C 0 0 10.8520 -1.1982 0.0000 C 0 0 11.6153 -2.4905 0.0000 C 0 0 10.8756 -3.7955 0.0000 C 0 0 11.6358 -5.0885 0.0000 C 0 0 13.1357 -5.0767 0.0000 C 0 0 13.8755 -3.7718 0.0000 C 0 0 13.1152 -2.4787 0.0000 C 0 0 9.3512 -1.2122 0.0000 N 0 3 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 10 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 14 1 0 8 9 2 0 9 10 1 0 9 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 13 16 1 0 14 15 2 0 16 17 1 0 18 17 1 6 18 22 1 0 18 19 1 0 19 20 1 0 20 30 1 0 21 22 1 0 21 30 1 0 23 24 1 0 23 30 1 0 24 29 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 M CHG 1 30 1 M END > ZINC03814221 > 12 $$$$ SciTegic07110717162D 30 33 0 0 0 0 999 V2000 13.0556 2.7540 0.0000 C 0 0 13.7862 4.0640 0.0000 C 0 0 13.0169 5.3518 0.0000 C 0 0 11.5171 5.3294 0.0000 C 0 0 10.7865 4.0194 0.0000 C 0 0 11.5558 2.7316 0.0000 C 0 0 10.8221 1.4223 0.0000 C 0 0 8.5863 0.0945 0.0000 C 0 0 7.0864 0.0773 0.0000 C 0 0 6.3215 1.3677 0.0000 C 0 0 1 0 0 0 7.0567 2.6752 0.0000 C 0 0 8.5566 2.6924 0.0000 C 0 0 4.8208 1.3475 0.0000 C 0 0 4.0872 0.0382 0.0000 C 0 0 2.5889 0.0182 0.0000 N 0 0 1.7138 1.2033 0.0000 C 0 0 2.0825 2.3453 0.0000 O 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 C 0 0 2.0907 -2.3426 0.0000 O 0 0 -3.6187 -1.4919 0.0000 N 0 3 -3.6251 -2.6919 0.0000 O 0 0 -4.6549 -0.8867 0.0000 O 0 5 13.6014 6.3998 0.0000 Cl 0 0 9.3214 1.4020 0.0000 N 0 3 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 29 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 30 1 0 8 9 1 0 8 30 1 0 9 10 1 0 10 11 1 0 10 13 1 6 11 12 1 0 12 30 1 0 13 14 1 0 14 15 1 0 15 24 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 23 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 21 26 1 0 22 23 1 0 23 24 1 0 24 25 2 0 26 27 2 0 26 28 1 0 M CHG 3 26 1 28 -1 30 1 M END > ZINC03814219 > 12 $$$$ SciTegic07110717162D 31 34 0 0 0 0 999 V2000 14.9505 6.6772 0.0000 C 0 0 13.7506 6.6611 0.0000 O 0 0 13.0169 5.3518 0.0000 C 0 0 13.7862 4.0640 0.0000 C 0 0 13.0556 2.7540 0.0000 C 0 0 11.5558 2.7316 0.0000 C 0 0 10.7865 4.0194 0.0000 C 0 0 11.5171 5.3294 0.0000 C 0 0 10.8221 1.4223 0.0000 C 0 0 8.5863 0.0945 0.0000 C 0 0 7.0864 0.0773 0.0000 C 0 0 6.3215 1.3677 0.0000 C 0 0 1 0 0 0 7.0567 2.6752 0.0000 C 0 0 8.5566 2.6924 0.0000 C 0 0 4.8208 1.3475 0.0000 C 0 0 4.0872 0.0382 0.0000 C 0 0 2.5889 0.0182 0.0000 N 0 0 1.7138 1.2033 0.0000 C 0 0 2.0825 2.3453 0.0000 O 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 C 0 0 2.0907 -2.3426 0.0000 O 0 0 -3.6187 -1.4919 0.0000 N 0 3 -3.6251 -2.6919 0.0000 O 0 0 -4.6549 -0.8867 0.0000 O 0 5 9.3214 1.4020 0.0000 N 0 3 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 6 9 1 0 7 8 1 0 9 31 1 0 10 11 1 0 10 31 1 0 11 12 1 0 12 13 1 0 12 15 1 6 13 14 1 0 14 31 1 0 15 16 1 0 16 17 1 0 17 26 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 25 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 23 28 1 0 24 25 1 0 25 26 1 0 26 27 2 0 28 29 2 0 28 30 1 0 M CHG 3 28 1 30 -1 31 1 M END > ZINC03814218 > 12 $$$$ SciTegic07110717162D 26 29 0 0 0 0 999 V2000 -9.0876 10.5106 0.0000 C 0 0 -10.3894 9.7653 0.0000 C 0 0 -10.3948 8.2653 0.0000 C 0 0 -9.0985 7.5105 0.0000 C 0 0 -7.7967 8.2559 0.0000 C 0 0 -7.7913 9.7559 0.0000 C 0 0 -9.1009 6.0097 0.0000 C 0 0 -7.8030 3.7564 0.0000 C 0 0 -6.5041 3.0062 0.0000 C 0 0 -5.2049 3.7560 0.0000 C 0 0 2 0 0 0 -5.2047 5.2560 0.0000 C 0 0 -6.5036 6.0062 0.0000 C 0 0 -3.9067 3.0027 0.0000 C 0 0 -3.9091 1.5019 0.0000 C 0 0 -2.6111 0.7486 0.0000 N 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.6486 -1.3517 0.0000 O 0 0 -7.8028 5.2564 0.0000 N 0 3 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 26 1 0 8 9 1 0 8 26 1 0 9 10 1 0 10 11 1 0 10 13 1 6 11 12 1 0 12 26 1 0 13 14 1 0 14 15 1 0 15 24 1 0 15 16 1 0 16 17 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 M CHG 1 26 1 M END > ZINC03814231 > 13 $$$$ SciTegic07110717162D 26 29 0 0 0 0 999 V2000 -14.3032 1.4797 0.0000 C 0 0 -14.3082 2.9797 0.0000 C 0 0 -13.0117 3.7340 0.0000 C 0 0 -11.7101 2.9885 0.0000 C 0 0 -11.7052 1.4884 0.0000 C 0 0 -13.0017 0.7340 0.0000 C 0 0 -10.4114 3.7406 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 1 0 0 0 -7.8113 0.7426 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -5.2109 0.7445 0.0000 C 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 N 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -1.2928 2.6973 0.0000 O 0 0 -9.1101 2.9927 0.0000 N 0 3 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 26 1 0 8 9 1 0 8 26 1 0 9 10 1 0 10 11 1 0 10 13 1 6 11 12 1 0 12 26 1 0 13 14 1 0 14 15 1 0 15 24 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 23 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 1 0 24 25 2 0 M CHG 1 26 1 M END > ZINC03814233 > 13 $$$$ SciTegic07110717162D 26 29 0 0 0 0 999 V2000 -14.3032 1.4797 0.0000 C 0 0 -14.3082 2.9797 0.0000 C 0 0 -13.0117 3.7340 0.0000 C 0 0 -11.7101 2.9885 0.0000 C 0 0 -11.7052 1.4884 0.0000 C 0 0 -13.0017 0.7340 0.0000 C 0 0 -10.4114 3.7406 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 1 0 0 0 -7.8113 0.7426 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -5.2109 0.7445 0.0000 C 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 N 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -1.2928 2.6973 0.0000 O 0 0 -9.1101 2.9927 0.0000 N 0 3 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 26 1 0 8 9 1 0 8 26 1 0 9 10 1 0 10 11 1 0 10 13 1 6 11 12 1 0 12 26 1 0 13 14 1 0 14 15 1 0 15 24 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 23 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 1 0 24 25 2 0 M CHG 1 26 1 M END > ZINC03814230 > 13 $$$$ SciTegic07110717162D 26 29 0 0 0 0 999 V2000 -9.0876 10.5106 0.0000 C 0 0 -10.3894 9.7653 0.0000 C 0 0 -10.3948 8.2653 0.0000 C 0 0 -9.0985 7.5105 0.0000 C 0 0 -7.7967 8.2559 0.0000 C 0 0 -7.7913 9.7559 0.0000 C 0 0 -9.1009 6.0097 0.0000 C 0 0 -7.8030 3.7564 0.0000 C 0 0 -6.5041 3.0062 0.0000 C 0 0 -5.2049 3.7560 0.0000 C 0 0 1 0 0 0 -5.2047 5.2560 0.0000 C 0 0 -6.5036 6.0062 0.0000 C 0 0 -3.9067 3.0027 0.0000 C 0 0 -3.9091 1.5019 0.0000 C 0 0 -2.6111 0.7486 0.0000 N 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.6486 -1.3517 0.0000 O 0 0 -7.8028 5.2564 0.0000 N 0 3 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 26 1 0 8 9 1 0 8 26 1 0 9 10 1 0 10 11 1 0 10 13 1 1 11 12 1 0 12 26 1 0 13 14 1 0 14 15 1 0 15 24 1 0 15 16 1 0 16 17 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 M CHG 1 26 1 M END > ZINC03814235 > 13 $$$$ SciTegic07110717162D 27 30 0 0 0 0 999 V2000 -9.0876 10.5106 0.0000 C 0 0 -10.3894 9.7653 0.0000 C 0 0 -10.3948 8.2653 0.0000 C 0 0 -9.0985 7.5105 0.0000 C 0 0 -7.7967 8.2559 0.0000 C 0 0 -7.7913 9.7559 0.0000 C 0 0 -9.1009 6.0097 0.0000 C 0 0 -7.8030 3.7564 0.0000 C 0 0 -6.5041 3.0062 0.0000 C 0 0 -5.2049 3.7560 0.0000 C 0 0 2 0 0 0 -5.2047 5.2560 0.0000 C 0 0 -6.5036 6.0062 0.0000 C 0 0 -3.9067 3.0027 0.0000 C 0 0 -3.9091 1.5019 0.0000 C 0 0 -2.6111 0.7486 0.0000 N 0 0 -1.2964 1.4973 0.0000 C 0 0 -1.2928 2.6973 0.0000 O 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.6486 -1.3517 0.0000 O 0 0 -7.8028 5.2564 0.0000 N 0 3 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 27 1 0 8 9 1 0 8 27 1 0 9 10 1 0 10 11 1 0 10 13 1 6 11 12 1 0 12 27 1 0 13 14 1 0 14 15 1 0 15 25 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 23 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 M CHG 1 27 1 M END > ZINC03814234 > 13 $$$$ SciTegic07110717162D 27 30 0 0 0 0 999 V2000 -14.3032 1.4797 0.0000 C 0 0 -14.3082 2.9797 0.0000 C 0 0 -13.0117 3.7340 0.0000 C 0 0 -11.7101 2.9885 0.0000 C 0 0 -11.7052 1.4884 0.0000 C 0 0 -13.0017 0.7340 0.0000 C 0 0 -10.4114 3.7406 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 1 0 0 0 -7.8113 0.7426 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -5.2109 0.7445 0.0000 C 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 N 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.6486 -1.3517 0.0000 O 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -1.2928 2.6973 0.0000 O 0 0 -9.1101 2.9927 0.0000 N 0 3 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 27 1 0 8 9 1 0 8 27 1 0 9 10 1 0 10 11 1 0 10 13 1 6 11 12 1 0 12 27 1 0 13 14 1 0 14 15 1 0 15 25 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 24 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 1 0 25 26 2 0 M CHG 1 27 1 M END > ZINC03814232 > 13 $$$$ SciTegic07110717162D 28 31 0 0 0 0 999 V2000 -9.0876 10.5106 0.0000 C 0 0 -10.3894 9.7653 0.0000 C 0 0 -10.3948 8.2653 0.0000 C 0 0 -9.0985 7.5105 0.0000 C 0 0 -7.7967 8.2559 0.0000 C 0 0 -7.7913 9.7559 0.0000 C 0 0 -9.1009 6.0097 0.0000 C 0 0 -7.8030 3.7564 0.0000 C 0 0 -6.5041 3.0062 0.0000 C 0 0 -5.2049 3.7560 0.0000 C 0 0 2 0 0 0 -5.2047 5.2560 0.0000 C 0 0 -6.5036 6.0062 0.0000 C 0 0 -3.9067 3.0027 0.0000 C 0 0 -3.9091 1.5019 0.0000 C 0 0 -2.6111 0.7486 0.0000 N 0 0 -1.2964 1.4973 0.0000 C 0 0 -1.2928 2.6973 0.0000 O 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.6486 -1.3517 0.0000 O 0 0 3.6321 -1.3486 0.0000 Cl 0 0 -7.8028 5.2564 0.0000 N 0 3 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 28 1 0 8 9 1 0 8 28 1 0 9 10 1 0 10 11 1 0 10 13 1 6 11 12 1 0 12 28 1 0 13 14 1 0 14 15 1 0 15 25 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 23 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 21 27 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 M CHG 1 28 1 M END > ZINC03814236 > 13 $$$$ SciTegic07110717162D 29 32 0 0 0 0 999 V2000 -3.6251 2.6919 0.0000 C 0 0 -3.6187 1.4919 0.0000 O 0 0 -2.3155 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -3.6187 -1.4919 0.0000 O 0 0 -3.6251 -2.6919 0.0000 C 0 0 1.7138 -1.2033 0.0000 C 0 0 2.0907 -2.3426 0.0000 O 0 0 2.5889 0.0182 0.0000 C 0 0 1 0 0 0 1.7138 1.2033 0.0000 C 0 0 4.0872 0.0320 0.0000 C 0 0 4.8506 -1.2602 0.0000 C 0 0 2 0 0 0 4.1108 -2.5652 0.0000 C 0 0 4.8709 -3.8583 0.0000 C 0 0 7.1107 -2.5417 0.0000 C 0 0 6.3505 -1.2485 0.0000 C 0 0 7.1341 -5.1388 0.0000 C 0 0 8.6349 -5.1249 0.0000 C 0 0 9.3981 -6.4172 0.0000 C 0 0 8.6584 -7.7222 0.0000 C 0 0 9.4186 -9.0153 0.0000 C 0 0 10.9185 -9.0035 0.0000 C 0 0 11.6583 -7.6986 0.0000 C 0 0 10.8981 -6.4055 0.0000 C 0 0 6.3709 -3.8465 0.0000 N 0 3 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 14 1 0 5 6 1 0 6 7 2 0 6 11 1 0 7 8 1 0 8 9 1 0 9 10 1 0 11 12 2 0 11 13 1 0 13 14 1 0 13 15 1 1 16 15 1 1 16 20 1 0 16 17 1 0 17 18 1 0 18 29 1 0 19 20 1 0 19 29 1 0 21 22 1 0 21 29 1 0 22 23 1 0 23 28 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 M CHG 1 29 1 M END > ZINC03814290 > 14 $$$$ SciTegic07110717162D 30 33 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5973 1.5031 0.0000 C 0 0 -3.8915 3.7585 0.0000 C 0 0 -3.8864 5.2585 0.0000 C 0 0 -2.5847 6.0040 0.0000 C 0 0 1 0 0 0 -1.2883 5.2495 0.0000 C 0 0 -1.2935 3.7495 0.0000 C 0 0 -2.5827 7.5048 0.0000 C 0 0 -3.8809 8.2579 0.0000 C 0 0 -3.8788 9.7587 0.0000 N 0 0 -2.5778 10.5068 0.0000 C 0 0 -1.2810 9.7529 0.0000 C 0 0 0.0204 10.4989 0.0000 C 0 0 0.0250 11.9989 0.0000 C 0 0 -1.2717 12.7529 0.0000 C 0 0 -2.5731 12.0069 0.0000 C 0 0 -5.1770 10.5117 0.0000 C 0 0 -6.2173 9.9135 0.0000 O 0 0 -5.1749 12.0126 0.0000 C 0 0 -3.8733 12.7582 0.0000 C 0 0 -3.8681 14.2582 0.0000 C 0 0 -5.1646 15.0126 0.0000 C 0 0 -6.4662 14.2671 0.0000 C 0 0 -6.4714 12.7671 0.0000 C 0 0 -2.5951 3.0039 0.0000 N 0 3 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 30 1 0 8 9 1 0 8 30 1 0 9 10 1 0 10 11 1 0 10 13 1 6 11 12 1 0 12 30 1 0 13 14 1 0 14 15 1 0 15 16 1 0 15 22 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 22 23 2 0 22 24 1 0 24 29 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 M CHG 1 30 1 M END > ZINC03814237 > 15 $$$$ SciTegic07110717162D 30 33 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5973 1.5031 0.0000 C 0 0 -3.8915 3.7585 0.0000 C 0 0 -3.8864 5.2585 0.0000 C 0 0 -2.5847 6.0040 0.0000 C 0 0 1 0 0 0 -1.2883 5.2495 0.0000 C 0 0 -1.2935 3.7495 0.0000 C 0 0 -2.5827 7.5048 0.0000 C 0 0 -3.8809 8.2579 0.0000 C 0 0 -3.8788 9.7587 0.0000 N 0 0 -2.5778 10.5068 0.0000 C 0 0 -1.2810 9.7529 0.0000 C 0 0 0.0204 10.4989 0.0000 C 0 0 0.0250 11.9989 0.0000 C 0 0 -1.2717 12.7529 0.0000 C 0 0 -2.5731 12.0069 0.0000 C 0 0 -5.1770 10.5117 0.0000 C 0 0 -6.2173 9.9135 0.0000 O 0 0 -5.1749 12.0126 0.0000 C 0 0 -3.8733 12.7582 0.0000 C 0 0 -3.8681 14.2582 0.0000 C 0 0 -5.1646 15.0126 0.0000 N 0 0 -6.4662 14.2671 0.0000 C 0 0 -6.4714 12.7671 0.0000 C 0 0 -2.5951 3.0039 0.0000 N 0 3 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 30 1 0 8 9 1 0 8 30 1 0 9 10 1 0 10 11 1 0 10 13 1 6 11 12 1 0 12 30 1 0 13 14 1 0 14 15 1 0 15 16 1 0 15 22 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 22 23 2 0 22 24 1 0 24 29 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 M CHG 1 30 1 M END > ZINC03814241 > 15 $$$$ SciTegic07110717162D 31 34 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5973 1.5031 0.0000 C 0 0 -3.8915 3.7585 0.0000 C 0 0 -3.8864 5.2585 0.0000 C 0 0 -2.5847 6.0040 0.0000 C 0 0 1 0 0 0 -1.2883 5.2495 0.0000 C 0 0 -1.2935 3.7495 0.0000 C 0 0 -2.5827 7.5048 0.0000 C 0 0 -3.8809 8.2579 0.0000 C 0 0 -3.8788 9.7587 0.0000 N 0 0 -2.5778 10.5068 0.0000 C 0 0 -1.2810 9.7529 0.0000 C 0 0 0.0204 10.4989 0.0000 C 0 0 0.0250 11.9989 0.0000 C 0 0 -1.2717 12.7529 0.0000 C 0 0 -2.5731 12.0069 0.0000 C 0 0 -5.1770 10.5117 0.0000 C 0 0 -6.2173 9.9135 0.0000 O 0 0 -5.1749 12.0126 0.0000 C 0 0 -3.8733 12.7582 0.0000 C 0 0 -3.8681 14.2582 0.0000 C 0 0 -5.1646 15.0126 0.0000 C 0 0 -6.4662 14.2671 0.0000 C 0 0 -6.4714 12.7671 0.0000 C 0 0 -5.1605 16.2126 0.0000 F 0 0 -2.5951 3.0039 0.0000 N 0 3 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 31 1 0 8 9 1 0 8 31 1 0 9 10 1 0 10 11 1 0 10 13 1 6 11 12 1 0 12 31 1 0 13 14 1 0 14 15 1 0 15 16 1 0 15 22 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 22 23 2 0 22 24 1 0 24 29 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 27 30 1 0 28 29 1 0 M CHG 1 31 1 M END > ZINC03814239 > 15 $$$$ SciTegic07110717162D 32 35 0 0 0 0 999 V2000 2.5956 -2.7031 0.0000 C 0 0 2.5973 -1.5031 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5973 1.5031 0.0000 C 0 0 -3.6375 0.9049 0.0000 O 0 0 -2.5951 3.0039 0.0000 N 0 0 -3.8933 3.7570 0.0000 C 0 0 -3.8912 5.2578 0.0000 C 0 0 -5.1894 6.0109 0.0000 C 0 0 2 0 0 0 -6.4886 5.2609 0.0000 C 0 0 -7.7876 6.0110 0.0000 C 0 0 -6.4885 8.2609 0.0000 C 0 0 -5.1895 7.5109 0.0000 C 0 0 -9.0858 8.2641 0.0000 C 0 0 -9.0836 9.7649 0.0000 C 0 0 -7.7819 10.5105 0.0000 C 0 0 -7.7767 12.0105 0.0000 C 0 0 -9.0731 12.7650 0.0000 C 0 0 -10.3748 12.0195 0.0000 C 0 0 -10.3800 10.5195 0.0000 C 0 0 -1.2941 3.7520 0.0000 C 0 0 0.0027 2.9981 0.0000 C 0 0 1.3040 3.7440 0.0000 C 0 0 1.3087 5.2440 0.0000 C 0 0 0.0120 5.9981 0.0000 C 0 0 -1.2894 5.2521 0.0000 C 0 0 -7.7876 7.5110 0.0000 N 0 3 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 6 9 1 0 7 8 1 0 9 10 2 0 9 11 1 0 11 12 1 0 11 26 1 0 12 13 1 0 14 13 1 6 14 18 1 0 14 15 1 0 15 16 1 0 16 32 1 0 17 18 1 0 17 32 1 0 19 20 1 0 19 32 1 0 20 25 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 26 31 2 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 2 0 30 31 1 0 M CHG 1 32 1 M END > ZINC03814238 > 15 $$$$ SciTegic07110717162D 33 36 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5973 1.5031 0.0000 C 0 0 -3.8915 3.7585 0.0000 C 0 0 -3.8864 5.2585 0.0000 C 0 0 -2.5847 6.0040 0.0000 C 0 0 1 0 0 0 -1.2883 5.2495 0.0000 C 0 0 -1.2935 3.7495 0.0000 C 0 0 -2.5827 7.5048 0.0000 C 0 0 -3.8809 8.2579 0.0000 C 0 0 -3.8788 9.7587 0.0000 N 0 0 -2.5778 10.5068 0.0000 C 0 0 -1.2810 9.7529 0.0000 C 0 0 0.0204 10.4989 0.0000 C 0 0 0.0250 11.9989 0.0000 C 0 0 -1.2717 12.7529 0.0000 C 0 0 -2.5731 12.0069 0.0000 C 0 0 -5.1770 10.5117 0.0000 C 0 0 -6.2173 9.9135 0.0000 O 0 0 -5.1749 12.0126 0.0000 C 0 0 -3.8733 12.7582 0.0000 C 0 0 -3.8681 14.2582 0.0000 C 0 0 -5.1646 15.0126 0.0000 C 0 0 -6.4662 14.2671 0.0000 C 0 0 -6.4714 12.7671 0.0000 C 0 0 -5.1625 16.5135 0.0000 N 0 3 -6.2006 17.1156 0.0000 O 0 0 -4.1223 17.1117 0.0000 O 0 5 -2.5951 3.0039 0.0000 N 0 3 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 33 1 0 8 9 1 0 8 33 1 0 9 10 1 0 10 11 1 0 10 13 1 6 11 12 1 0 12 33 1 0 13 14 1 0 14 15 1 0 15 16 1 0 15 22 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 22 23 2 0 22 24 1 0 24 29 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 27 30 1 0 28 29 1 0 30 31 2 0 30 32 1 0 M CHG 3 30 1 32 -1 33 1 M END > ZINC03814240 > 15 $$$$ SciTegic07110717162D 30 31 0 0 0 0 999 V2000 2.5984 -2.7004 0.0000 C 0 0 2.5988 -1.5004 0.0000 N 0 3 2 0 0 0 2.5992 -0.3004 0.0000 C 0 0 3.8990 -0.7508 0.0000 C 0 0 5.1988 -1.5012 0.0000 C 0 0 6.2384 -0.9019 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5973 1.5031 0.0000 C 0 0 -2.5951 3.0039 0.0000 C 0 0 -3.8933 3.7570 0.0000 C 0 0 -4.9336 3.1588 0.0000 O 0 0 -3.8912 5.2578 0.0000 C 0 0 -5.1894 6.0109 0.0000 C 0 0 -5.1873 7.5117 0.0000 C 0 0 -3.8856 8.2573 0.0000 C 0 0 -3.8805 9.7573 0.0000 C 0 0 -5.1769 10.5118 0.0000 C 0 0 -6.4785 9.7663 0.0000 C 0 0 -6.4837 8.2663 0.0000 C 0 0 -5.1717 12.0126 0.0000 N 0 3 1 0 0 0 -6.2091 12.6159 0.0000 C 0 0 -5.1681 13.2126 0.0000 C 0 0 -3.8699 12.7593 0.0000 C 0 0 -3.8647 14.2602 0.0000 C 0 0 -2.8237 14.8572 0.0000 C 0 0 2 1 1 6 2 3 1 0 2 4 1 0 2 7 1 0 4 5 1 0 5 6 2 0 7 12 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 10 13 1 0 11 12 1 0 13 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 17 18 1 0 18 19 1 0 19 24 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 22 25 1 0 23 24 1 0 25 26 1 6 25 27 1 0 25 28 1 0 28 29 1 0 29 30 2 0 M CHG 2 2 1 25 1 M END > ZINC03814201 > 16 $$$$ SciTegic07110717162D 30 33 0 0 0 0 999 V2000 4.0673 -8.9172 0.0000 C 0 0 3.0308 -8.3125 0.0000 C 0 0 3.0367 -6.8116 0.0000 N 0 3 1 0 0 0 4.0785 -6.2161 0.0000 C 0 0 4.3596 -7.5804 0.0000 C 0 0 5.4008 -6.9839 0.0000 C 0 0 1.7404 -6.0553 0.0000 C 0 0 1.7463 -4.5545 0.0000 C 0 0 0.4500 -3.7982 0.0000 C 0 0 0.4558 -2.2973 0.0000 N 0 0 -0.8205 -1.5498 0.0000 C 0 0 3 0 0 0 -2.1332 -2.2973 0.0000 C 0 0 -3.4277 -1.5498 0.0000 C 0 0 -3.4277 0.0000 0.0000 C 0 0 -2.1332 0.6928 0.0000 C 0 0 -0.8205 0.0000 0.0000 C 0 0 3 0 0 0 0.4558 0.6928 0.0000 C 0 0 3 0 0 0 0.4558 2.1879 0.0000 C 0 0 1.7503 2.9537 0.0000 C 0 0 3.0631 2.1879 0.0000 C 0 0 1 0 0 0 3.0631 0.6928 0.0000 C 0 0 1.7503 0.0000 0.0000 C 0 0 3 0 0 0 1.7503 -1.5498 0.0000 C 0 0 3 0 0 0 3.0500 -2.3001 0.0000 C 0 0 2 0 0 0 3.0479 -3.8001 0.0000 C 0 0 4.3458 -4.5521 0.0000 C 0 0 5.6459 -3.8041 0.0000 C 0 0 5.6482 -2.3041 0.0000 C 0 0 4.3503 -1.5521 0.0000 C 0 0 4.1036 2.7856 0.0000 N 0 0 1 2 1 0 2 3 1 0 3 4 1 1 3 5 1 0 3 7 1 0 5 6 1 0 7 8 1 0 8 9 1 0 9 10 1 0 23 10 1 4 10 11 1 0 11 16 1 0 11 12 1 4 12 13 1 0 13 14 1 0 14 15 1 0 16 15 1 4 16 17 1 0 17 22 1 0 17 18 1 4 18 19 1 0 19 20 1 0 20 21 1 0 20 30 1 6 22 21 1 4 22 23 1 0 23 24 1 0 24 29 1 1 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 M CHG 1 3 1 M END > ZINC03814206 > 17 $$$$ SciTegic07110717162D 31 34 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5973 1.5031 0.0000 C 0 0 -3.8915 3.7585 0.0000 C 0 0 -3.8864 5.2585 0.0000 C 0 0 -2.5847 6.0040 0.0000 C 0 0 1 0 0 0 -1.2883 5.2495 0.0000 C 0 0 -1.2935 3.7495 0.0000 C 0 0 -2.5827 7.5048 0.0000 C 0 0 -3.8809 8.2579 0.0000 C 0 0 -3.8788 9.7587 0.0000 N 0 0 -5.1770 10.5117 0.0000 C 0 0 -6.4788 9.7648 0.0000 C 0 0 -6.4798 8.2647 0.0000 C 0 0 -7.7793 7.5155 0.0000 C 0 0 -9.0778 8.2664 0.0000 C 0 0 -9.0769 9.7664 0.0000 C 0 0 -7.7774 10.5155 0.0000 C 0 0 -2.5793 10.5095 0.0000 C 0 0 -1.5400 9.9096 0.0000 O 0 0 -2.5788 12.0104 0.0000 C 0 0 -3.8792 12.7582 0.0000 C 0 0 -3.8818 14.2582 0.0000 C 0 0 -2.5841 15.0105 0.0000 C 0 0 -1.2838 14.2627 0.0000 C 0 0 -1.2811 12.7627 0.0000 C 0 0 -2.5951 3.0039 0.0000 N 0 3 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 31 1 0 8 9 1 0 8 31 1 0 9 10 1 0 10 11 1 0 10 13 1 6 11 12 1 0 12 31 1 0 13 14 1 0 14 15 1 0 15 16 1 0 15 23 1 0 16 17 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 23 24 2 0 23 25 1 0 25 30 2 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 29 30 1 0 M CHG 1 31 1 M END > ZINC03814253 > 18 $$$$