CCT Converted by convert_cif2sdf.py 2024/03/29 11:09:15 41 43 0 0 0 0 0 0 0 0999 V2000 4.1517 0.0564 0.9734 C 0 0 0 0 0 5.0803 0.6470 0.1118 C 0 0 0 0 0 4.6951 1.7142 -0.7050 C 0 0 0 0 0 3.4068 2.1818 -0.6610 C 0 0 0 0 0 2.4792 1.5911 0.2004 C 0 0 0 0 0 2.8650 0.5272 1.0221 C 0 0 0 0 0 -1.2432 3.4525 0.2612 C 0 0 0 0 0 -1.2733 2.0677 0.4380 C 0 0 0 0 0 -0.0826 1.3842 0.4272 C 0 0 0 0 0 1.0913 2.0944 0.2482 C 0 0 0 0 0 0.5048 3.7716 0.0906 S 0 0 0 0 0 6.4262 0.1590 0.0659 C 0 0 0 0 0 7.4930 -0.2277 0.0289 N 0 0 0 0 0 -2.3204 4.3676 0.2327 C 0 0 0 0 0 -2.0821 5.6849 0.0565 O 0 0 0 0 0 -3.4626 3.9679 0.3675 O 0 0 0 0 0 -2.4806 1.3969 0.6140 N 0 0 0 0 0 -2.5584 0.0820 1.6184 S 0 0 0 0 0 -2.0370 -1.7498 -0.3371 C 0 0 0 0 0 -1.6247 -1.2106 0.8670 C 0 0 0 0 0 -0.4863 -1.6903 1.4866 C 0 0 0 0 0 0.2457 -2.7040 0.8964 C 0 0 0 0 0 -0.1635 -3.2406 -0.3101 C 0 0 0 0 0 -1.3049 -2.7634 -0.9263 C 0 0 0 0 0 -3.2812 -1.2300 -1.0089 C 0 0 0 0 0 -3.9110 -0.3497 1.5860 O 0 0 0 0 0 -1.8394 0.4471 2.7888 O 0 0 0 0 0 4.4489 -0.7687 1.6048 H 0 0 0 0 0 5.4129 2.1706 -1.3710 H 0 0 0 0 0 3.1095 3.0059 -1.2915 H 0 0 0 0 0 2.1472 0.0717 1.6870 H 0 0 0 0 0 -0.0621 0.3123 0.5560 H 0 0 0 0 0 -2.9412 6.1282 0.0679 H 0 0 0 0 0 -3.2760 1.6995 0.1486 H 0 0 0 0 0 -0.1662 -1.2715 2.4292 H 0 0 0 0 0 1.1367 -3.0779 1.3792 H 0 0 0 0 0 0.4083 -4.0324 -0.7710 H 0 0 0 0 0 -1.6250 -3.1823 -1.8689 H 0 0 0 0 0 -4.1552 -1.7332 -0.5955 H 0 0 0 0 0 -3.3647 -0.1569 -0.8379 H 0 0 0 0 0 -3.2240 -1.4237 -2.0804 H 0 0 0 0 0 1 2 1 0 0 0 1 6 2 0 0 0 1 28 1 0 0 0 2 3 2 0 0 0 2 12 1 0 0 0 3 4 1 0 0 0 3 29 1 0 0 0 4 5 2 0 0 0 4 30 1 0 0 0 5 6 1 0 0 0 5 10 1 0 0 0 6 31 1 0 0 0 7 8 2 0 0 0 7 11 1 0 0 0 7 14 1 0 0 0 8 9 1 0 0 0 8 17 1 0 0 0 9 10 2 0 0 0 9 32 1 0 0 0 10 11 1 0 0 0 12 13 3 0 0 0 14 15 1 0 0 0 14 16 2 0 0 0 15 33 1 0 0 0 17 18 1 0 0 0 17 34 1 0 0 0 18 20 1 0 0 0 18 26 2 0 0 0 18 27 2 0 0 0 19 20 1 0 0 0 19 24 2 0 0 0 19 25 1 0 0 0 20 21 2 0 0 0 21 22 1 0 0 0 21 35 1 0 0 0 22 23 2 0 0 0 22 36 1 0 0 0 23 24 1 0 0 0 23 37 1 0 0 0 24 38 1 0 0 0 25 39 1 0 0 0 25 40 1 0 0 0 25 41 1 0 0 0 M END $$$$