C3K Converted by convert_cif2sdf.py 2024/03/29 11:09:15 69 71 0 0 0 0 0 0 0 0999 V2000 0.6545 5.8933 0.8693 C 0 0 0 0 0 0.8684 4.4465 1.0111 N 0 0 0 0 0 -0.2032 3.6881 0.3506 C 0 0 0 0 0 0.1278 3.5256 -1.1343 C 0 0 0 0 0 -0.3253 2.3294 0.9902 C 0 0 0 0 0 0.4078 2.0227 1.9063 O 0 0 0 0 0 -1.2495 1.4550 0.5448 N 0 0 0 0 0 -1.3676 0.1341 1.1661 C 0 0 0 0 0 -0.0414 -0.5747 1.0873 C 0 0 0 0 0 0.5873 -0.7605 2.1085 O 0 0 0 0 0 0.4644 -1.0063 -0.0664 N 0 0 0 0 0 -2.4453 -0.6723 0.4395 C 0 0 0 0 0 -3.7997 -0.4318 1.1097 C 0 0 0 0 0 -4.8101 -1.2940 0.4914 N 0 0 0 0 0 -6.0857 -1.2520 0.9232 C 0 0 0 0 0 -6.3978 -0.5011 1.8230 O 0 0 0 0 0 -7.1261 -2.1396 0.2879 C 0 0 0 0 0 -8.4804 -1.8981 0.9572 C 0 0 0 0 0 -2.5170 -0.2372 -1.0285 C 0 0 0 0 0 -1.1254 0.1603 -1.5182 C 0 0 0 0 0 -0.1936 -1.0403 -1.3792 C 0 0 0 0 0 0.9156 -0.9887 -2.3973 C 0 0 0 0 0 2.0599 -1.2330 -1.8089 C 0 0 0 0 0 1.8203 -1.5092 -0.3406 C 0 0 0 0 0 2.8308 -0.7728 0.5005 C 0 0 0 0 0 2.4661 0.0958 1.2647 O 0 0 0 0 0 4.1402 -1.0797 0.4053 N 0 0 0 0 0 5.1219 -0.3634 1.2227 C 0 0 0 0 0 6.5018 -0.8923 0.9281 C 0 0 0 0 0 7.2629 -0.3199 -0.0737 C 0 0 0 0 0 8.5283 -0.8052 -0.3436 C 0 0 0 0 0 9.0335 -1.8639 0.3874 C 0 0 0 0 0 8.2735 -2.4364 1.3903 C 0 0 0 0 0 7.0092 -1.9473 1.6643 C 0 0 0 0 0 0.6411 6.1556 -0.1882 H 0 0 0 0 0 -0.2987 6.1656 1.3237 H 0 0 0 0 0 1.4618 6.4305 1.3670 H 0 0 0 0 0 0.9491 4.1867 1.9822 H 0 0 0 0 0 -1.1463 4.2256 0.4551 H 0 0 0 0 0 0.2159 4.5082 -1.5968 H 0 0 0 0 0 1.0709 2.9892 -1.2398 H 0 0 0 0 0 -0.6672 2.9636 -1.6242 H 0 0 0 0 0 -1.8358 1.7012 -0.1878 H 0 0 0 0 0 -1.6489 0.2519 2.2123 H 0 0 0 0 0 -2.2003 -1.7337 0.4917 H 0 0 0 0 0 -3.7253 -0.6623 2.1722 H 0 0 0 0 0 -4.0859 0.6120 0.9830 H 0 0 0 0 0 -4.5608 -1.8946 -0.2283 H 0 0 0 0 0 -7.1994 -1.9082 -0.7755 H 0 0 0 0 0 -6.8388 -3.1834 0.4136 H 0 0 0 0 0 -8.4060 -2.1285 2.0197 H 0 0 0 0 0 -8.7667 -0.8543 0.8315 H 0 0 0 0 0 -9.2315 -2.5399 0.4976 H 0 0 0 0 0 -2.8919 -1.0626 -1.6341 H 0 0 0 0 0 -3.1910 0.6149 -1.1216 H 0 0 0 0 0 -1.1785 0.4625 -2.5637 H 0 0 0 0 0 -0.7495 0.9889 -0.9165 H 0 0 0 0 0 -0.7543 -1.9675 -1.4883 H 0 0 0 0 0 0.7865 -0.7830 -3.4504 H 0 0 0 0 0 3.0239 -1.2379 -2.2958 H 0 0 0 0 0 1.8732 -2.5798 -0.1443 H 0 0 0 0 0 4.4317 -1.7744 -0.2056 H 0 0 0 0 0 5.0825 0.7004 0.9889 H 0 0 0 0 0 4.8936 -0.5121 2.2780 H 0 0 0 0 0 6.8680 0.5072 -0.6455 H 0 0 0 0 0 9.1224 -0.3572 -1.1274 H 0 0 0 0 0 10.0225 -2.2430 0.1764 H 0 0 0 0 0 8.6673 -3.2634 1.9610 H 0 0 0 0 0 6.4152 -2.3942 2.4471 H 0 0 0 0 0 32 31 2 0 0 0 32 33 1 0 0 0 31 30 1 0 0 0 33 34 2 0 0 0 30 29 2 0 0 0 34 29 1 0 0 0 29 28 1 0 0 0 28 27 1 0 0 0 27 25 1 0 0 0 4 3 1 0 0 0 10 9 2 0 0 0 25 26 2 0 0 0 25 24 1 0 0 0 3 2 1 0 0 0 3 5 1 0 0 0 24 11 1 0 0 0 24 23 1 0 0 0 9 11 1 0 0 0 9 8 1 0 0 0 7 5 1 0 0 0 7 8 1 0 0 0 2 1 1 0 0 0 5 6 2 0 0 0 11 21 1 0 0 0 23 22 2 0 0 0 8 12 1 0 0 0 21 22 1 0 0 0 21 20 1 0 0 0 12 19 1 0 0 0 12 13 1 0 0 0 19 20 1 0 0 0 13 14 1 0 0 0 16 15 2 0 0 0 14 15 1 0 0 0 15 17 1 0 0 0 18 17 1 0 0 0 1 35 1 0 0 0 1 36 1 0 0 0 1 37 1 0 0 0 2 38 1 0 0 0 3 39 1 0 0 0 4 40 1 0 0 0 4 41 1 0 0 0 4 42 1 0 0 0 7 43 1 0 0 0 8 44 1 0 0 0 12 45 1 0 0 0 13 46 1 0 0 0 13 47 1 0 0 0 14 48 1 0 0 0 17 49 1 0 0 0 17 50 1 0 0 0 18 51 1 0 0 0 18 52 1 0 0 0 18 53 1 0 0 0 19 54 1 0 0 0 19 55 1 0 0 0 20 56 1 0 0 0 20 57 1 0 0 0 21 58 1 0 0 0 22 59 1 0 0 0 23 60 1 0 0 0 24 61 1 0 0 0 27 62 1 0 0 0 28 63 1 0 0 0 28 64 1 0 0 0 30 65 1 0 0 0 31 66 1 0 0 0 32 67 1 0 0 0 33 68 1 0 0 0 34 69 1 0 0 0 M END $$$$