FIH Converted by convert_cif2sdf.py 2024/03/29 11:09:15 40 42 0 0 0 0 0 0 0 0999 V2000 4.2258 2.6133 0.7526 C 0 0 0 0 0 5.4615 2.2092 0.2721 C 0 0 0 0 0 5.6227 0.9404 -0.2621 C 0 0 0 0 0 4.5517 0.0729 -0.3179 C 0 0 0 0 0 3.3057 0.4742 0.1656 C 0 0 0 0 0 3.1476 1.7548 0.6967 C 0 0 0 0 0 0.2328 -2.2714 -0.4314 C 0 0 0 0 0 0.1802 -1.5809 0.7812 C 0 0 0 0 0 1.1632 -0.6594 1.0488 C 0 0 0 0 0 2.1552 -0.4522 0.1086 C 0 0 0 0 0 1.6942 -1.5845 -1.1912 S 0 0 0 0 0 6.5131 3.0558 0.3245 F 0 0 0 0 0 -0.6478 -3.2558 -0.9304 C 0 0 0 0 0 -0.4276 -3.8050 -2.1442 O 0 0 0 0 0 -1.6059 -3.6086 -0.2676 O 0 0 0 0 0 -0.8388 -1.8248 1.6982 N 0 0 0 0 0 -1.4459 -0.5832 2.6101 S 0 0 0 0 0 -1.3065 1.6323 1.0216 C 0 0 0 0 0 -2.1091 0.6124 1.4992 C 0 0 0 0 0 -3.4315 0.5320 1.1053 C 0 0 0 0 0 -3.9519 1.4702 0.2347 C 0 0 0 0 0 -3.1503 2.4900 -0.2427 C 0 0 0 0 0 -1.8269 2.5685 0.1465 C 0 0 0 0 0 -3.7180 3.5131 -1.1926 C 0 0 0 0 0 -0.3200 0.0361 3.2172 O 0 0 0 0 0 -2.5608 -1.1237 3.3062 O 0 0 0 0 0 4.1066 3.6026 1.1681 H 0 0 0 0 0 6.5870 0.6315 -0.6356 H 0 0 0 0 0 4.6790 -0.9158 -0.7335 H 0 0 0 0 0 2.1848 2.0710 1.0715 H 0 0 0 0 0 1.1607 -0.1074 1.9768 H 0 0 0 0 0 -1.1363 -4.4457 -2.2928 H 0 0 0 0 0 -1.1945 -2.7217 1.8015 H 0 0 0 0 0 -0.2739 1.6956 1.3292 H 0 0 0 0 0 -4.0588 -0.2649 1.4788 H 0 0 0 0 0 -4.9855 1.4067 -0.0728 H 0 0 0 0 0 -1.1992 3.3642 -0.2262 H 0 0 0 0 0 -4.1281 4.3479 -0.6244 H 0 0 0 0 0 -2.9287 3.8757 -1.8512 H 0 0 0 0 0 -4.5076 3.0561 -1.7893 H 0 0 0 0 0 1 2 1 0 0 0 1 6 2 0 0 0 1 27 1 0 0 0 2 3 2 0 0 0 2 12 1 0 0 0 3 4 1 0 0 0 3 28 1 0 0 0 4 5 2 0 0 0 4 29 1 0 0 0 5 6 1 0 0 0 5 10 1 0 0 0 6 30 1 0 0 0 7 8 2 0 0 0 7 11 1 0 0 0 7 13 1 0 0 0 8 9 1 0 0 0 8 16 1 0 0 0 9 10 2 0 0 0 9 31 1 0 0 0 10 11 1 0 0 0 13 14 1 0 0 0 13 15 2 0 0 0 14 32 1 0 0 0 16 17 1 0 0 0 16 33 1 0 0 0 17 19 1 0 0 0 17 25 2 0 0 0 17 26 2 0 0 0 18 19 1 0 0 0 18 23 2 0 0 0 18 34 1 0 0 0 19 20 2 0 0 0 20 21 1 0 0 0 20 35 1 0 0 0 21 22 2 0 0 0 21 36 1 0 0 0 22 23 1 0 0 0 22 24 1 0 0 0 23 37 1 0 0 0 24 38 1 0 0 0 24 39 1 0 0 0 24 40 1 0 0 0 M END $$$$