JN1 Converted by convert_cif2sdf.py 2024/03/29 11:09:15 26 28 0 0 0 0 0 0 0 0999 V2000 3.3149 1.2482 -0.0446 C 0 0 0 0 0 1.1634 -0.4412 0.1867 C 0 0 0 0 0 -2.9243 1.6920 -1.7602 O 0 0 0 0 0 -2.2107 1.1812 -0.9228 C 0 0 0 0 0 -2.5545 -0.1966 -0.3732 C 0 0 0 0 0 -1.4439 -0.4323 0.5268 N 0 0 0 0 0 -1.1989 0.5766 1.5895 C 0 0 0 0 0 -0.3523 1.5623 0.7279 C 0 0 0 0 0 -1.1191 1.8306 -0.4896 N 0 0 0 0 0 0.9676 0.9149 0.3800 C 0 0 0 0 0 2.0717 1.7566 0.2619 C 0 0 0 0 0 3.4896 -0.1092 -0.2410 C 0 0 0 0 0 2.4022 -0.9557 -0.1232 C 0 0 0 0 0 -0.2328 -1.5400 0.3260 S 0 0 0 0 0 -0.0976 -2.2509 1.5491 O 0 0 0 0 0 -0.4212 -2.1551 -0.9402 O 0 0 0 0 0 4.1588 1.9163 -0.1362 H 0 0 0 0 0 -3.4991 -0.1783 0.1696 H 0 0 0 0 0 -2.5769 -0.9412 -1.1691 H 0 0 0 0 0 -2.1251 1.0351 1.9343 H 0 0 0 0 0 -0.6213 0.1666 2.4183 H 0 0 0 0 0 -0.1786 2.4850 1.2808 H 0 0 0 0 0 -0.8036 2.5588 -1.0458 H 0 0 0 0 0 1.9521 2.8190 0.4137 H 0 0 0 0 0 4.4653 -0.5046 -0.4848 H 0 0 0 0 0 2.5264 -2.0190 -0.2650 H 0 0 0 0 0 7 8 1 0 0 0 7 6 1 0 0 0 15 14 2 0 0 0 8 10 1 0 0 0 8 9 1 0 0 0 6 14 1 0 0 0 6 5 1 0 0 0 14 2 1 0 0 0 14 16 2 0 0 0 10 2 2 0 0 0 10 11 1 0 0 0 9 4 1 0 0 0 5 4 1 0 0 0 2 13 1 0 0 0 11 1 2 0 0 0 4 3 2 0 0 0 13 12 2 0 0 0 1 12 1 0 0 0 1 17 1 0 0 0 5 18 1 0 0 0 5 19 1 0 0 0 7 20 1 0 0 0 7 21 1 0 0 0 8 22 1 0 0 0 9 23 1 0 0 0 11 24 1 0 0 0 12 25 1 0 0 0 13 26 1 0 0 0 M END $$$$