CK3 Converted by convert_cif2sdf.py 2024/03/01 05:07:52 28 29 0 0 0 0 0 0 0 0999 V2000 -5.4631 -0.3980 -0.0570 C 0 0 0 0 0 -3.9576 -0.3377 -0.0334 C 0 0 0 0 0 -2.9245 1.0585 -0.0414 S 0 0 0 0 0 -3.0929 -1.3273 0.0050 N 0 0 0 0 0 -1.7993 -1.1112 0.0170 C 0 0 0 0 0 -0.8219 -2.2572 0.0540 C 0 0 0 0 0 -1.3632 0.1903 0.0005 C 0 0 0 0 0 0.0128 0.7234 0.0131 C 0 0 0 0 0 1.0596 -0.1018 0.0507 N 0 0 0 0 0 0.2410 2.1063 -0.0086 C 0 0 0 0 0 1.5463 2.5572 0.0044 C 0 0 0 0 0 2.5372 1.6779 0.0375 N 0 0 0 0 0 2.2933 0.3760 0.0569 C 0 0 0 0 0 3.3600 -0.5094 0.0910 N 0 0 0 0 0 4.6534 -0.0360 -0.0028 C 0 0 0 0 0 5.6409 -0.8652 -0.0703 N 0 0 0 0 0 5.3930 -2.2571 -0.1576 O 0 0 0 0 0 -5.8095 -0.4318 -1.0901 H 0 0 0 0 0 -5.7995 -1.2924 0.4678 H 0 0 0 0 0 -5.8703 0.4853 0.4346 H 0 0 0 0 0 -0.6035 -2.5149 1.0908 H 0 0 0 0 0 -1.2548 -3.1209 -0.4509 H 0 0 0 0 0 0.0998 -1.9655 -0.4502 H 0 0 0 0 0 -0.5846 2.8023 -0.0354 H 0 0 0 0 0 1.7580 3.6164 -0.0120 H 0 0 0 0 0 3.1972 -1.4618 0.1812 H 0 0 0 0 0 4.8393 1.0277 -0.0192 H 0 0 0 0 0 6.2546 -2.6931 -0.1977 H 0 0 0 0 0 1 2 1 0 0 0 1 18 1 0 0 0 1 19 1 0 0 0 1 20 1 0 0 0 2 3 1 0 0 0 2 4 2 0 0 0 3 7 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 5 7 2 0 0 0 6 21 1 0 0 0 6 22 1 0 0 0 6 23 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 8 10 2 0 0 0 9 13 2 0 0 0 10 11 1 0 0 0 10 24 1 0 0 0 11 12 2 0 0 0 11 25 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 14 26 1 0 0 0 15 16 2 0 0 0 15 27 1 0 0 0 16 17 1 0 0 0 17 28 1 0 0 0 M END $$$$