CX1 Converted by convert_cif2sdf.py 2024/03/29 11:09:15 80 83 0 0 0 0 0 0 0 0999 V2000 2.7346 -2.8157 -1.4513 C 0 0 0 0 0 1.5227 -3.2697 -1.9347 C 0 0 0 0 0 0.9205 -4.3794 -1.3608 C 0 0 0 0 0 -0.2724 -4.8282 -1.8347 O 0 0 0 0 0 1.5362 -5.0314 -0.3024 C 0 0 0 0 0 2.7483 -4.5733 0.1772 C 0 0 0 0 0 3.3474 -3.4675 -0.3969 C 0 0 0 0 0 4.6699 -2.9701 0.1279 C 0 0 0 0 0 4.4252 -1.9441 1.2361 C 0 0 0 0 0 5.7435 -1.5395 1.8449 C 0 0 0 0 0 6.5276 -2.4616 2.4241 O 0 0 0 0 0 6.0947 -0.3834 1.8113 O 0 0 0 0 0 3.7646 -0.7648 0.6735 N 0 0 0 0 0 3.0100 0.0255 1.4624 C 0 0 0 0 0 2.8778 -0.2392 2.6381 O 0 0 0 0 0 2.3297 1.2390 0.8826 C 0 0 0 0 0 3.3824 2.1885 0.3076 C 0 0 0 0 0 2.6981 3.3112 -0.4283 C 0 0 0 0 0 2.3527 4.4688 0.2450 C 0 0 0 0 0 1.7245 5.4987 -0.4300 C 0 0 0 0 0 1.4418 5.3719 -1.7773 C 0 0 0 0 0 1.7882 4.2142 -2.4496 C 0 0 0 0 0 2.4214 3.1872 -1.7764 C 0 0 0 0 0 1.5765 1.9253 1.9352 N 0 0 0 0 0 2.2864 2.5794 3.0375 C 0 0 0 0 0 0.2294 1.9551 1.8897 C 0 0 0 0 0 -0.3901 2.6189 2.6948 O 0 0 0 0 0 -0.5065 1.1640 0.8394 C 0 0 0 0 0 -0.2572 1.7863 -0.5355 C 0 0 0 0 0 -0.8543 0.9046 -1.6022 C 0 0 0 0 0 -1.7424 1.2862 -2.5394 C 0 0 0 0 0 -2.0173 0.1805 -3.2984 N 0 0 0 0 0 -1.2868 -0.8385 -2.7983 C 0 0 0 0 0 -0.5897 -0.3972 -1.7864 N 0 0 0 0 0 -1.9428 1.1831 1.1311 N 0 0 0 0 0 -2.7341 0.1892 0.6817 C 0 0 0 0 0 -2.2577 -0.7219 0.0338 O 0 0 0 0 0 -4.0539 0.2077 0.9494 O 0 0 0 0 0 -4.8463 -0.8950 0.4333 C 0 0 0 0 0 -6.2873 -0.7061 0.8296 C 0 0 0 0 0 -7.1457 -0.0057 0.0014 C 0 0 0 0 0 -8.4676 0.1678 0.3653 C 0 0 0 0 0 -8.9321 -0.3590 1.5564 C 0 0 0 0 0 -8.0747 -1.0594 2.3835 C 0 0 0 0 0 -6.7539 -1.2378 2.0174 C 0 0 0 0 0 3.2062 -1.9545 -1.9007 H 0 0 0 0 0 1.0447 -2.7607 -2.7582 H 0 0 0 0 0 -0.1926 -5.4825 -2.5423 H 0 0 0 0 0 1.0695 -5.8957 0.1460 H 0 0 0 0 0 3.2293 -5.0804 1.0008 H 0 0 0 0 0 5.2404 -3.8090 0.5280 H 0 0 0 0 0 5.2301 -2.5029 -0.6820 H 0 0 0 0 0 3.7905 -2.3848 2.0056 H 0 0 0 0 0 7.3637 -2.1543 2.8008 H 0 0 0 0 0 3.8691 -0.5522 -0.2672 H 0 0 0 0 0 1.6477 0.9300 0.0904 H 0 0 0 0 0 3.9840 2.5982 1.1187 H 0 0 0 0 0 4.0264 1.6422 -0.3811 H 0 0 0 0 0 2.5726 4.5673 1.2970 H 0 0 0 0 0 1.4532 6.4029 0.0953 H 0 0 0 0 0 0.9505 6.1757 -2.3041 H 0 0 0 0 0 1.5673 4.1158 -3.5026 H 0 0 0 0 0 2.6918 2.2830 -2.3017 H 0 0 0 0 0 2.5637 3.5913 2.7407 H 0 0 0 0 0 1.6382 2.6230 3.9128 H 0 0 0 0 0 3.1849 2.0116 3.2773 H 0 0 0 0 0 -0.1489 0.1344 0.8430 H 0 0 0 0 0 -0.7214 2.7723 -0.5785 H 0 0 0 0 0 0.8152 1.8818 -0.7019 H 0 0 0 0 0 -2.1591 2.2746 -2.6665 H 0 0 0 0 0 -1.2774 -1.8511 -3.1758 H 0 0 0 0 0 -2.3233 1.9106 1.6476 H 0 0 0 0 0 -4.7683 -0.9209 -0.6539 H 0 0 0 0 0 -4.4761 -1.8336 0.8464 H 0 0 0 0 0 -6.7823 0.4062 -0.9280 H 0 0 0 0 0 -9.1386 0.7156 -0.2813 H 0 0 0 0 0 -9.9656 -0.2233 1.8402 H 0 0 0 0 0 -8.4371 -1.4704 3.3140 H 0 0 0 0 0 -6.0829 -1.7855 2.6630 H 0 0 0 0 0 -2.6229 0.1385 -4.0544 H 0 0 0 0 0 1 2 2 0 0 0 1 7 1 0 0 0 1 46 1 0 0 0 2 3 1 0 0 0 2 47 1 0 0 0 3 4 1 0 0 0 3 5 2 0 0 0 4 48 1 0 0 0 6 5 1 0 0 0 5 49 1 0 0 0 7 6 2 0 0 0 6 50 1 0 0 0 8 7 1 0 0 0 9 8 1 0 0 0 8 51 1 0 0 0 8 52 1 0 0 0 13 9 1 0 0 0 10 9 1 0 0 0 9 53 1 0 0 0 12 10 2 0 0 0 10 11 1 0 0 0 11 54 1 0 0 0 14 13 1 0 0 0 13 55 1 0 0 0 16 14 1 0 0 0 14 15 2 0 0 0 17 16 1 0 0 0 16 24 1 0 0 0 16 56 1 0 0 0 18 17 1 0 0 0 17 57 1 0 0 0 17 58 1 0 0 0 19 18 2 0 0 0 23 18 1 0 0 0 20 19 1 0 0 0 19 59 1 0 0 0 21 20 2 0 0 0 20 60 1 0 0 0 21 22 1 0 0 0 21 61 1 0 0 0 22 23 2 0 0 0 22 62 1 0 0 0 23 63 1 0 0 0 24 25 1 0 0 0 24 26 1 0 0 0 25 64 1 0 0 0 25 65 1 0 0 0 25 66 1 0 0 0 27 26 2 0 0 0 26 28 1 0 0 0 35 28 1 0 0 0 28 29 1 0 0 0 28 67 1 0 0 0 29 30 1 0 0 0 29 68 1 0 0 0 29 69 1 0 0 0 34 30 1 0 0 0 30 31 2 0 0 0 31 32 1 0 0 0 31 70 1 0 0 0 33 32 1 0 0 0 34 33 2 0 0 0 33 71 1 0 0 0 36 35 1 0 0 0 35 72 1 0 0 0 38 36 1 0 0 0 36 37 2 0 0 0 39 38 1 0 0 0 40 39 1 0 0 0 39 73 1 0 0 0 39 74 1 0 0 0 45 40 2 0 0 0 40 41 1 0 0 0 42 41 2 0 0 0 41 75 1 0 0 0 43 42 1 0 0 0 42 76 1 0 0 0 44 43 2 0 0 0 43 77 1 0 0 0 44 45 1 0 0 0 44 78 1 0 0 0 45 79 1 0 0 0 32 80 1 0 0 0 M END $$$$