95S Converted by convert_cif2sdf.py 2024/03/29 11:09:15 37 38 0 0 0 0 0 0 0 0999 V2000 5.5308 0.6096 -0.8320 C 0 0 0 0 0 1.5631 1.7901 -0.0168 C 0 0 0 0 0 0.5907 -0.2841 -0.0500 C 0 0 0 0 0 7.1765 -0.8860 -0.0087 C 0 0 0 0 0 2.3350 1.2656 -0.9711 C 0 0 0 0 0 7.2821 -3.0910 -0.3276 C 0 0 0 0 0 8.3827 -2.9906 0.4209 C 0 0 0 0 0 0.6037 0.9333 0.4929 C 0 0 0 0 0 -0.3544 -1.3950 0.3288 C 0 0 0 0 0 -0.3552 1.3460 1.5812 C 0 0 0 0 0 -1.6102 -1.3155 -0.5417 C 0 0 0 0 0 -3.7178 -2.3858 -0.9395 C 0 0 0 0 0 6.6570 -1.9467 -0.5405 N 0 0 0 0 0 5.0237 1.8532 -0.9369 N 0 0 0 0 0 6.6564 0.3985 -0.1215 N 0 0 0 0 0 3.8134 1.4491 -3.0485 O 0 0 0 0 0 3.3478 3.4988 -1.6962 O 0 0 0 0 0 4.9711 -0.3236 -1.3747 O 0 0 0 0 0 -2.5062 -2.3689 -0.1813 O 0 0 0 0 0 3.6371 2.1113 -1.8036 S 0 0 0 0 0 8.5913 -1.2967 0.8589 S 0 0 0 0 0 1.8533 -0.3993 -1.2702 S 0 0 0 0 0 9.5177 -4.4162 0.9238 BR 0 0 0 0 0 1.6828 2.8046 0.3334 H 0 0 0 0 0 6.9310 -4.0315 -0.7266 H 0 0 0 0 0 0.1352 -2.3571 0.1748 H 0 0 0 0 0 -0.6320 -1.2934 1.3786 H 0 0 0 0 0 -1.2532 1.7695 1.1317 H 0 0 0 0 0 -0.6239 0.4747 2.1776 H 0 0 0 0 0 0.1185 2.0921 2.2186 H 0 0 0 0 0 -2.0993 -0.3543 -0.3863 H 0 0 0 0 0 -1.3321 -1.4180 -1.5902 H 0 0 0 0 0 -4.3428 -3.2137 -0.6060 H 0 0 0 0 0 -4.2507 -1.4456 -0.7930 H 0 0 0 0 0 -3.4839 -2.5101 -1.9966 H 0 0 0 0 0 5.4705 2.5971 -0.5040 H 0 0 0 0 0 7.1031 1.1425 0.3114 H 0 0 0 0 0 16 20 2 0 0 0 14 20 1 0 0 0 14 1 1 0 0 0 15 1 1 0 0 0 15 4 1 0 0 0 20 17 2 0 0 0 20 5 1 0 0 0 13 4 2 0 0 0 13 6 1 0 0 0 1 18 2 0 0 0 4 21 1 0 0 0 22 5 1 0 0 0 22 3 1 0 0 0 6 7 2 0 0 0 12 19 1 0 0 0 5 2 2 0 0 0 11 19 1 0 0 0 11 9 1 0 0 0 7 21 1 0 0 0 7 23 1 0 0 0 3 9 1 0 0 0 3 8 2 0 0 0 2 8 1 0 0 0 8 10 1 0 0 0 2 24 1 0 0 0 6 25 1 0 0 0 9 26 1 0 0 0 9 27 1 0 0 0 10 28 1 0 0 0 10 29 1 0 0 0 10 30 1 0 0 0 11 31 1 0 0 0 11 32 1 0 0 0 12 33 1 0 0 0 12 34 1 0 0 0 12 35 1 0 0 0 14 36 1 0 0 0 15 37 1 0 0 0 M END $$$$