JOP Converted by convert_cif2sdf.py 2024/03/29 11:09:15 35 36 0 0 0 0 0 0 0 0999 V2000 -2.6786 -0.5485 1.2253 C 0 0 0 0 0 -2.1627 1.4914 -0.7823 C 0 0 0 0 0 -3.7120 -0.3450 -0.9411 C 0 0 0 0 0 5.7167 0.1382 -0.1544 C 0 0 0 0 0 4.3784 0.5837 0.4374 C 0 0 0 0 0 4.1537 1.9598 0.1248 O 0 0 0 0 0 3.2512 -0.2651 -0.1556 C 0 0 0 0 0 1.9695 0.1623 0.4106 N 0 0 0 0 0 0.8286 -0.4487 0.0321 C 0 0 0 0 0 0.8780 -1.7217 -1.1109 S 0 0 0 0 0 -0.3510 -0.0567 0.5527 N 0 0 0 0 0 -1.5905 -0.7201 0.1411 C 0 0 0 0 0 -3.8264 0.2320 0.5149 C 0 0 0 0 0 -3.2488 1.6649 0.3026 C 0 0 0 0 0 -2.1817 -0.0283 -1.1246 C 0 0 0 0 0 -3.0345 -1.5212 1.5650 H 0 0 0 0 0 -2.2910 0.0288 2.0652 H 0 0 0 0 0 -2.4088 2.0827 -1.6642 H 0 0 0 0 0 -1.1865 1.7808 -0.3911 H 0 0 0 0 0 -3.9132 -1.4159 -0.9727 H 0 0 0 0 0 -4.3333 0.2046 -1.6482 H 0 0 0 0 0 6.5204 0.7432 0.2682 H 0 0 0 0 0 5.8883 -0.9116 0.0839 H 0 0 0 0 0 5.6965 0.2669 -1.2363 H 0 0 0 0 0 4.3985 0.4551 1.5194 H 0 0 0 0 0 4.1233 2.1478 -0.8227 H 0 0 0 0 0 3.2311 -0.1364 -1.2376 H 0 0 0 0 0 3.4229 -1.3148 0.0827 H 0 0 0 0 0 1.9409 0.8829 1.0590 H 0 0 0 0 0 -0.3786 0.6648 1.2015 H 0 0 0 0 0 -1.4090 -1.7776 -0.0509 H 0 0 0 0 0 -4.8091 0.1670 0.9827 H 0 0 0 0 0 -2.8070 2.0386 1.2273 H 0 0 0 0 0 -4.0303 2.3404 -0.0458 H 0 0 0 0 0 -1.7431 -0.3063 -2.0830 H 0 0 0 0 0 4 5 1 0 0 0 2 15 1 0 0 0 2 14 1 0 0 0 15 3 1 0 0 0 15 12 1 0 0 0 7 8 1 0 0 0 7 5 1 0 0 0 8 9 1 0 0 0 5 6 1 0 0 0 9 11 1 0 0 0 9 10 2 0 0 0 14 13 1 0 0 0 11 12 1 0 0 0 3 13 1 0 0 0 12 1 1 0 0 0 13 1 1 0 0 0 1 16 1 0 0 0 1 17 1 0 0 0 2 18 1 0 0 0 2 19 1 0 0 0 3 20 1 0 0 0 3 21 1 0 0 0 4 22 1 0 0 0 4 23 1 0 0 0 4 24 1 0 0 0 5 25 1 0 0 0 6 26 1 0 0 0 7 27 1 0 0 0 7 28 1 0 0 0 8 29 1 0 0 0 11 30 1 0 0 0 12 31 1 0 0 0 13 32 1 0 0 0 14 33 1 0 0 0 14 34 1 0 0 0 15 35 1 0 0 0 M END $$$$