21D Converted by convert_cif2sdf.py 2024/03/29 11:09:15 26 27 0 0 0 0 0 0 0 0999 V2000 4.2843 -0.5527 0.6193 O 0 0 0 0 0 3.3276 0.3840 -0.1052 S 0 0 0 0 0 3.1742 1.5234 0.7291 O 0 0 0 0 0 3.7821 0.4603 -1.4497 O 0 0 0 0 0 1.7565 -0.4119 -0.1565 C 0 0 0 0 0 1.6779 -1.7700 -0.1904 C 0 0 0 0 0 0.4444 -2.4167 -0.2312 C 0 0 0 0 0 -0.7183 -1.7089 -0.2383 C 0 0 0 0 0 -0.6769 -0.3042 -0.2037 C 0 0 0 0 0 0.5778 0.3528 -0.1563 C 0 0 0 0 0 0.6182 1.7574 -0.1208 C 0 0 0 0 0 -0.5434 2.4654 -0.1328 C 0 0 0 0 0 -1.7778 1.8188 -0.1806 C 0 0 0 0 0 -1.8565 0.4605 -0.2095 C 0 0 0 0 0 -3.4276 -0.3353 -0.2618 S 0 0 0 0 0 -3.2444 -1.5374 -0.9973 O 0 0 0 0 0 -3.7701 -0.7499 1.1613 O 0 0 0 0 0 -4.3710 0.6633 -0.6264 O 0 0 0 0 0 2.5857 -2.3558 -0.1855 H 0 0 0 0 0 0.4098 -3.4952 -0.2581 H 0 0 0 0 0 -1.6672 -2.2231 -0.2717 H 0 0 0 0 0 1.5670 2.2725 -0.0843 H 0 0 0 0 0 -0.5099 3.5448 -0.1059 H 0 0 0 0 0 -2.6846 2.4047 -0.1885 H 0 0 0 0 0 5.1840 -0.2095 0.7026 H 0 0 0 0 0 -4.6219 -1.2003 1.2459 H 0 0 0 0 0 18 15 2 0 0 0 16 15 2 0 0 0 15 17 1 0 0 0 15 14 1 0 0 0 8 7 2 0 0 0 8 9 1 0 0 0 7 6 1 0 0 0 14 9 2 0 0 0 14 13 1 0 0 0 9 10 1 0 0 0 6 5 2 0 0 0 13 12 2 0 0 0 10 5 1 0 0 0 10 11 2 0 0 0 5 2 1 0 0 0 12 11 1 0 0 0 2 4 2 0 0 0 2 3 2 0 0 0 2 1 1 0 0 0 6 19 1 0 0 0 7 20 1 0 0 0 8 21 1 0 0 0 11 22 1 0 0 0 12 23 1 0 0 0 13 24 1 0 0 0 1 25 1 0 0 0 17 26 1 0 0 0 M END $$$$