CE3 Converted by convert_cif2sdf.py 2026/01/30 11:05:38 47 49 0 0 0 0 0 0 0 0999 V2000 0.2388 -1.4432 1.3706 C 0 0 0 0 0 1.5847 -1.7722 0.7334 C 0 0 0 0 0 -0.1826 0.3303 1.4337 S 0 0 0 0 0 -1.9837 0.2575 1.1907 C 0 0 0 0 0 -2.3715 -0.7156 0.1258 C 0 0 0 0 0 -1.6672 -1.7254 -0.3607 C 0 0 0 0 0 -0.3575 -1.9532 0.0959 N 0 0 0 0 0 0.7981 -2.4552 -0.3727 C 0 0 0 0 0 1.0938 -3.1696 -1.3066 O 0 0 0 0 0 2.3264 -0.5910 0.2830 N 0 0 0 0 0 3.6688 -0.6390 0.1771 C 0 0 0 0 0 4.2567 -1.6861 0.3638 O 0 0 0 0 0 4.4299 0.5853 -0.1665 C 0 0 0 0 0 5.7324 0.5644 -0.1680 N 0 0 0 0 0 6.4214 -0.6524 0.0534 O 0 0 0 0 0 7.8449 -0.5283 0.0247 C 0 0 0 0 0 3.7100 1.8309 -0.5085 C 0 0 0 0 0 2.3833 1.9364 -0.4230 N 0 0 0 0 0 1.8638 3.0779 -0.7488 C 0 0 0 0 0 0.5117 3.3770 -0.7245 N 0 0 0 0 0 3.1416 4.1915 -1.2277 S 0 0 0 0 0 4.3475 2.9441 -0.9223 C 0 0 0 0 0 -3.7419 -0.5218 -0.4721 C 0 0 0 0 0 -4.4241 0.5568 0.2200 O 0 0 0 0 0 -5.7003 0.7904 -0.1242 C 0 0 0 0 0 -6.2575 0.0590 -0.9073 O 0 0 0 0 0 -6.4369 1.9645 0.4674 C 0 0 0 0 0 -2.2548 -2.6108 -1.3827 C 0 0 0 0 0 -1.6539 -3.6028 -1.7465 O 0 0 0 0 0 -3.4592 -2.3202 -1.9137 O 0 0 0 0 0 0.0017 -1.9966 2.2794 H 0 0 0 0 0 2.1936 -2.4568 1.3238 H 0 0 0 0 0 -2.4555 -0.0385 2.1285 H 0 0 0 0 0 -2.3442 1.2483 0.9131 H 0 0 0 0 0 1.8517 0.2248 0.0619 H 0 0 0 0 0 8.1637 0.1679 0.8005 H 0 0 0 0 0 8.2980 -1.5028 0.2022 H 0 0 0 0 0 8.1572 -0.1543 -0.9506 H 0 0 0 0 0 -0.1291 2.7038 -0.4469 H 0 0 0 0 0 0.2050 4.2592 -0.9854 H 0 0 0 0 0 5.4149 3.0516 -1.0477 H 0 0 0 0 0 -3.6450 -0.2734 -1.5286 H 0 0 0 0 0 -4.3165 -1.4422 -0.3665 H 0 0 0 0 0 -5.7520 2.5536 1.0772 H 0 0 0 0 0 -6.8354 2.5851 -0.3351 H 0 0 0 0 0 -7.2570 1.6030 1.0880 H 0 0 0 0 0 -3.8376 -2.9671 -2.5246 H 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 7 1 0 0 0 1 31 1 0 0 0 2 8 1 0 0 0 2 10 1 0 0 0 2 32 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 4 33 1 0 0 0 4 34 1 0 0 0 5 6 2 0 0 0 5 23 1 0 0 0 6 7 1 0 0 0 6 28 1 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 10 11 1 0 0 0 10 35 1 0 0 0 11 12 2 0 0 0 11 13 1 0 0 0 13 14 2 0 0 0 13 17 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 16 36 1 0 0 0 16 37 1 0 0 0 16 38 1 0 0 0 17 18 1 0 0 0 17 22 2 0 0 0 18 19 2 0 0 0 19 20 1 0 0 0 19 21 1 0 0 0 20 39 1 0 0 0 20 40 1 0 0 0 21 22 1 0 0 0 22 41 1 0 0 0 23 24 1 0 0 0 23 42 1 0 0 0 23 43 1 0 0 0 24 25 1 0 0 0 25 26 2 0 0 0 25 27 1 0 0 0 27 44 1 0 0 0 27 45 1 0 0 0 27 46 1 0 0 0 28 29 2 0 0 0 28 30 1 0 0 0 30 47 1 0 0 0 M END $$$$