HMDB0033080 RDKit 3D Antibiotic CJ 15544 65 70 0 0 0 0 0 0 0 0999 V2000 -4.1761 2.3475 -1.5015 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2771 1.8944 -0.3576 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1029 2.1445 0.9226 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1038 0.4255 -0.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9806 -0.2616 -0.4071 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5222 -0.0205 -0.3682 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0847 1.3446 -0.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3536 1.4548 -1.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3779 0.6335 -0.9167 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6823 1.0821 -1.4729 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6543 2.4293 -1.8024 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7968 0.8075 -0.4602 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9848 1.2697 -0.9405 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4807 1.4242 0.8864 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3968 0.8937 1.5275 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4359 -0.4604 1.7801 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1122 -0.8482 2.1225 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4390 -0.2964 1.0666 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2424 -0.6733 -0.1867 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5240 -1.1702 0.4141 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4997 -2.5322 0.5875 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7289 -0.6632 -0.2443 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6126 -1.3970 -0.5901 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0011 -0.6275 0.9138 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7771 -0.0499 2.0526 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2307 -2.1275 0.8317 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6813 -2.4411 0.7337 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3487 -1.7292 -0.4377 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0109 -2.3718 -1.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8106 -1.8017 -0.2105 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3143 -0.4412 -0.4776 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2839 1.4951 -2.2282 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1391 2.7390 -1.1765 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5688 3.1155 -2.0643 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4036 2.5012 -0.2297 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1388 1.8655 0.6666 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6839 1.5754 1.7652 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1175 3.2417 1.1167 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1072 -0.6825 -1.1931 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6427 1.7108 -1.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1473 2.0425 0.2061 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6222 2.3717 -1.6523 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9047 0.4479 -2.3502 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4444 2.5780 -2.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6078 0.5894 -1.2603 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4223 1.3514 1.4837 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3004 2.4941 0.7263 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1788 -0.8042 2.4851 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4756 0.8213 1.2483 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7406 -1.3966 -0.8225 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1773 -2.9827 -0.2409 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8466 -0.3009 2.0435 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6312 1.0589 2.0254 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2842 -0.3852 2.9993 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1623 -2.6089 1.7485 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2582 -2.5383 -0.0736 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2466 -2.2699 1.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7861 -3.5362 0.5187 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 -2.5761 -1.8526 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3968 -1.7093 -2.5509 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5993 -3.3103 -1.8195 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0800 -2.1539 0.8261 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3301 -2.5055 -0.9264 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8285 -0.3249 -1.4579 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0070 -0.1522 0.3665 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 20 22 1 0 22 23 2 0 18 24 1 0 24 25 1 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 28 30 1 0 30 31 1 0 31 4 1 0 28 5 1 0 24 6 1 0 19 9 1 0 22 12 1 0 20 16 1 0 1 32 1 0 1 33 1 0 1 34 1 0 2 35 1 0 3 36 1 0 3 37 1 0 3 38 1 0 6 39 1 0 7 40 1 0 7 41 1 0 8 42 1 0 10 43 1 0 11 44 1 0 13 45 1 0 14 46 1 0 14 47 1 0 16 48 1 0 18 49 1 0 19 50 1 0 21 51 1 0 25 52 1 0 25 53 1 0 25 54 1 0 26 55 1 0 26 56 1 0 27 57 1 0 27 58 1 0 29 59 1 0 29 60 1 0 29 61 1 0 30 62 1 0 30 63 1 0 31 64 1 0 31 65 1 0 M END