JJK Converted by convert_cif2sdf.py 2024/03/29 11:09:15 27 27 0 0 0 0 0 0 0 0999 V2000 -4.3995 0.4214 0.1446 C 0 0 0 0 0 -3.0804 -1.5315 0.7382 N 0 0 0 0 0 -5.0937 -0.3234 -0.5058 O 0 0 0 0 0 3.9046 -1.3757 0.2627 N 0 0 0 0 0 2.6847 -1.1052 -0.1584 C 0 0 0 0 0 2.2404 0.2008 -0.2479 C 0 0 0 0 0 3.0960 1.2308 0.1106 C 0 0 0 0 0 4.3718 0.9074 0.5484 C 0 0 0 0 0 4.7450 -0.4215 0.6115 C 0 0 0 0 0 0.8453 0.5005 -0.7307 C 0 0 0 0 0 0.6415 -0.1069 -2.0079 O 0 0 0 0 0 -3.0826 -0.0638 0.6939 C 0 0 0 0 0 -1.9450 0.4205 -0.2075 C 0 0 0 0 0 -0.3594 -0.1622 0.4526 S 0 0 0 0 0 -4.7992 1.6820 0.3745 O 0 0 0 0 0 -3.7822 -1.8754 1.3775 H 0 0 0 0 0 -3.2100 -1.9217 -0.1838 H 0 0 0 0 0 2.0246 -1.9139 -0.4352 H 0 0 0 0 0 2.7769 2.2611 0.0496 H 0 0 0 0 0 5.0648 1.6846 0.8350 H 0 0 0 0 0 5.7368 -0.6805 0.9519 H 0 0 0 0 0 0.7142 1.5793 -0.8160 H 0 0 0 0 0 0.7430 -1.0680 -2.0070 H 0 0 0 0 0 -2.9406 0.3300 1.7009 H 0 0 0 0 0 -2.0861 0.0267 -1.2144 H 0 0 0 0 0 -1.9453 1.5103 -0.2396 H 0 0 0 0 0 -5.6508 1.9475 0.0022 H 0 0 0 0 0 1 12 1 0 0 0 1 15 1 0 0 0 2 12 1 0 0 0 2 16 1 0 0 0 2 17 1 0 0 0 3 1 2 0 0 0 5 4 2 0 0 0 5 18 1 0 0 0 6 5 1 0 0 0 7 6 2 0 0 0 7 8 1 0 0 0 7 19 1 0 0 0 8 9 2 0 0 0 8 20 1 0 0 0 9 4 1 0 0 0 9 21 1 0 0 0 10 6 1 0 0 0 10 22 1 0 0 0 11 10 1 0 0 0 11 23 1 0 0 0 12 13 1 0 0 0 12 24 1 0 0 0 13 14 1 0 0 0 13 25 1 0 0 0 13 26 1 0 0 0 14 10 1 0 0 0 15 27 1 0 0 0 M END $$$$