J3E Converted by convert_cif2sdf.py 2024/03/29 11:09:15 58 62 0 0 0 0 0 0 0 0999 V2000 6.6279 -0.2731 -0.0685 C 0 0 0 0 0 5.7745 1.7644 -0.4218 C 0 0 0 0 0 4.0719 0.3275 2.1517 C 0 0 0 0 0 2.8920 -0.0401 2.7796 C 0 0 0 0 0 1.8629 -0.5853 2.0676 C 0 0 0 0 0 1.9911 -0.7802 0.6854 C 0 0 0 0 0 1.1282 -1.3080 -0.3051 C 0 0 0 0 0 -0.2660 -1.8336 -0.0807 C 0 0 0 0 0 -1.2732 -0.6932 -0.2411 C 0 0 0 0 0 -2.6895 -1.2275 -0.0137 C 0 0 0 0 0 -4.9414 -0.4699 0.0085 C 0 0 0 0 0 -5.3147 -1.7494 0.3098 C 0 0 0 0 0 -7.2897 0.1887 0.0648 C 0 0 0 0 0 -8.2735 1.1855 -0.0601 C 0 0 0 0 0 -7.9042 2.4614 -0.3553 C 0 0 0 0 0 -6.5638 2.7974 -0.5342 C 0 0 0 0 0 -5.9273 0.5302 -0.1179 C 0 0 0 0 0 1.2437 -1.7032 -2.7861 C 0 0 0 0 0 0.1229 -2.1700 -2.8472 O 0 0 0 0 0 1.9927 -1.5994 -3.9028 O 0 0 0 0 0 1.7832 -1.2544 -1.4950 C 0 0 0 0 0 3.0369 -0.7089 -1.2967 N 0 0 0 0 0 3.1839 -0.4114 0.0359 C 0 0 0 0 0 4.2294 0.1471 0.7853 C 0 0 0 0 0 5.4952 0.5424 0.1197 C 0 0 0 0 0 4.8530 2.9561 -0.4509 C 0 0 0 0 0 7.0250 1.7118 -0.9242 N 0 0 0 0 0 7.5361 0.4287 -0.6917 N 0 0 0 0 0 6.7692 -1.7057 0.3774 C 0 0 0 0 0 -3.6301 -0.1617 -0.1625 O 0 0 0 0 0 -5.5847 1.8582 -0.4211 C 0 0 0 0 0 -7.6333 -1.1398 0.3689 C 0 0 0 0 0 -6.6551 -2.0796 0.4887 C 0 0 0 0 0 4.8749 0.7610 2.7307 H 0 0 0 0 0 2.7851 0.1064 3.8443 H 0 0 0 0 0 0.9492 -0.8668 2.5694 H 0 0 0 0 0 -0.4817 -2.6140 -0.8101 H 0 0 0 0 0 -0.3422 -2.2460 0.9248 H 0 0 0 0 0 -1.0585 0.0872 0.4882 H 0 0 0 0 0 -1.1991 -0.2808 -1.2466 H 0 0 0 0 0 -2.9053 -2.0079 -0.7430 H 0 0 0 0 0 -2.7646 -1.6395 0.9932 H 0 0 0 0 0 -4.5596 -2.5141 0.4100 H 0 0 0 0 0 -9.3158 0.9397 0.0758 H 0 0 0 0 0 -8.6613 3.2257 -0.4510 H 0 0 0 0 0 -6.2975 3.8178 -0.7688 H 0 0 0 0 0 1.5950 -1.9083 -4.7281 H 0 0 0 0 0 3.7037 -0.5622 -1.9855 H 0 0 0 0 0 5.0073 3.5576 0.4450 H 0 0 0 0 0 5.0657 3.5585 -1.3348 H 0 0 0 0 0 3.8183 2.6148 -0.4855 H 0 0 0 0 0 7.4902 2.4368 -1.3701 H 0 0 0 0 0 6.4245 -2.3695 -0.4159 H 0 0 0 0 0 7.8162 -1.9166 0.5982 H 0 0 0 0 0 6.1695 -1.8691 1.2732 H 0 0 0 0 0 -4.5503 2.1329 -0.5639 H 0 0 0 0 0 -8.6677 -1.4131 0.5114 H 0 0 0 0 0 -6.9244 -3.0994 0.7225 H 0 0 0 0 0 29 1 1 0 0 0 28 1 2 0 0 0 28 27 1 0 0 0 3 4 2 0 0 0 3 24 1 0 0 0 1 25 1 0 0 0 27 2 1 0 0 0 4 5 1 0 0 0 25 2 2 0 0 0 25 24 1 0 0 0 2 26 1 0 0 0 14 15 2 0 0 0 14 13 1 0 0 0 24 23 2 0 0 0 32 13 2 0 0 0 32 33 1 0 0 0 15 16 1 0 0 0 13 17 1 0 0 0 33 12 2 0 0 0 5 6 2 0 0 0 16 31 2 0 0 0 23 6 1 0 0 0 23 22 1 0 0 0 17 31 1 0 0 0 17 11 2 0 0 0 12 11 1 0 0 0 6 7 1 0 0 0 11 30 1 0 0 0 22 21 1 0 0 0 30 10 1 0 0 0 7 21 2 0 0 0 7 8 1 0 0 0 21 18 1 0 0 0 10 9 1 0 0 0 8 9 1 0 0 0 18 19 2 0 0 0 18 20 1 0 0 0 3 34 1 0 0 0 4 35 1 0 0 0 5 36 1 0 0 0 8 37 1 0 0 0 8 38 1 0 0 0 9 39 1 0 0 0 9 40 1 0 0 0 10 41 1 0 0 0 10 42 1 0 0 0 12 43 1 0 0 0 14 44 1 0 0 0 15 45 1 0 0 0 16 46 1 0 0 0 20 47 1 0 0 0 22 48 1 0 0 0 26 49 1 0 0 0 26 50 1 0 0 0 26 51 1 0 0 0 27 52 1 0 0 0 29 53 1 0 0 0 29 54 1 0 0 0 29 55 1 0 0 0 31 56 1 0 0 0 32 57 1 0 0 0 33 58 1 0 0 0 M END $$$$