01S Converted by convert_cif2sdf.py 2024/03/29 11:09:15 43 42 0 0 0 0 0 0 0 0999 V2000 -3.2426 -2.2823 -0.8317 N 0 0 0 0 0 -3.5876 -3.6507 -0.7194 O 0 0 0 0 0 -2.5787 -1.6703 0.1692 C 0 0 0 0 0 -2.3576 -2.2655 1.2026 O 0 0 0 0 0 -2.1107 -0.2475 0.0037 C 0 0 0 0 0 -3.1593 0.7041 0.5826 C 0 0 0 0 0 -2.7367 2.1502 0.3156 C 0 0 0 0 0 -2.7749 2.4233 -1.1894 C 0 0 0 0 0 -3.6986 3.1025 1.0304 C 0 0 0 0 0 -0.8058 -0.0602 0.7337 C 0 0 0 0 0 -0.8047 0.2290 1.9113 O 0 0 0 0 0 0.3618 -0.2152 0.0774 N 0 0 0 0 0 1.6292 -0.1417 0.8083 C 0 0 0 0 0 2.7302 0.2680 -0.1342 C 0 0 0 0 0 2.4815 0.4789 -1.3027 O 0 0 0 0 0 1.9522 -1.5121 1.4057 C 0 0 0 0 0 3.9928 0.4006 0.3199 N 0 0 0 0 0 5.0630 0.7987 -0.5968 C 0 0 0 0 0 6.3664 0.8744 0.1561 C 0 0 0 0 0 6.3980 0.6197 1.3415 O 0 0 0 0 0 7.4975 1.2238 -0.4886 N 0 0 0 0 0 -3.4789 -1.7864 -1.6308 H 0 0 0 0 0 -4.0615 -4.0013 -1.4869 H 0 0 0 0 0 -1.9687 -0.0322 -1.0549 H 0 0 0 0 0 -4.1230 0.5140 0.1096 H 0 0 0 0 0 -3.2438 0.5424 1.6570 H 0 0 0 0 0 -1.7255 2.3081 0.6888 H 0 0 0 0 0 -2.4872 3.4579 -1.3778 H 0 0 0 0 0 -2.0788 1.7551 -1.6970 H 0 0 0 0 0 -3.7833 2.2516 -1.5649 H 0 0 0 0 0 -3.6719 2.9078 2.1028 H 0 0 0 0 0 -3.3973 4.1328 0.8409 H 0 0 0 0 0 -4.7098 2.9446 0.6581 H 0 0 0 0 0 0.3631 -0.3742 -0.8798 H 0 0 0 0 0 1.5438 0.5933 1.6096 H 0 0 0 0 0 2.8953 -1.4582 1.9502 H 0 0 0 0 0 1.1561 -1.8085 2.0885 H 0 0 0 0 0 2.0377 -2.2471 0.6055 H 0 0 0 0 0 4.1914 0.2330 1.2543 H 0 0 0 0 0 5.1483 0.0647 -1.3970 H 0 0 0 0 0 4.8327 1.7754 -1.0218 H 0 0 0 0 0 7.4727 1.4274 -1.4368 H 0 0 0 0 0 8.3364 1.2724 -0.0039 H 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 22 1 0 0 0 2 23 1 0 0 0 3 4 2 0 0 0 3 5 1 0 0 0 5 6 1 0 0 0 5 10 1 0 0 0 5 24 1 0 0 0 6 7 1 0 0 0 6 25 1 0 0 0 6 26 1 0 0 0 7 8 1 0 0 0 7 9 1 0 0 0 7 27 1 0 0 0 8 28 1 0 0 0 8 29 1 0 0 0 8 30 1 0 0 0 9 31 1 0 0 0 9 32 1 0 0 0 9 33 1 0 0 0 10 11 2 0 0 0 12 13 1 0 0 0 12 34 1 0 0 0 13 14 1 0 0 0 13 16 1 0 0 0 13 35 1 0 0 0 14 15 2 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 39 1 0 0 0 18 19 1 0 0 0 18 40 1 0 0 0 18 41 1 0 0 0 19 20 2 0 0 0 21 42 1 0 0 0 21 43 1 0 0 0 10 12 1 0 0 0 14 17 1 0 0 0 19 21 1 0 0 0 M END $$$$