HMDB0039824 RDKit 3D O-Acetylcyclocalopin A 46 48 0 0 0 0 0 0 0 0999 V2000 1.4206 3.8315 0.9089 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4097 2.5927 0.0906 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7057 2.7023 -1.1280 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0904 1.3593 0.6248 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0868 0.2305 -0.1687 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2737 -0.6427 0.1854 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1840 -0.2714 0.9439 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3009 -1.9773 -0.4218 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4663 -2.8869 -0.2741 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2730 -2.4167 -1.1294 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0668 -1.6240 -1.3516 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0918 -0.6340 -0.1828 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4302 -0.0330 -0.3675 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6085 1.1818 -1.1475 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6094 0.9755 -2.2998 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2978 2.2266 -0.2535 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4908 1.6563 0.3211 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2466 0.5212 1.0836 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1411 -0.0848 1.6985 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8386 0.0758 1.1165 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6545 -1.2531 1.4614 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3153 -1.4694 1.0491 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5488 -1.1812 2.2165 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2213 -2.8447 0.7800 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5797 3.7920 1.6357 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3973 3.8795 1.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2893 4.7213 0.2607 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3295 0.5383 -1.2283 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7795 -3.3358 -1.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1451 -3.7178 0.4154 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3099 -2.3500 0.2038 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3052 -3.4201 -1.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1450 -1.0542 -2.3006 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8129 -2.3068 -1.3702 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1457 -0.8169 -0.7693 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7441 1.6472 -1.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6410 1.1436 -1.9688 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4070 1.6887 -3.1253 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5344 -0.0397 -2.7037 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5000 3.1509 -0.7903 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6449 2.4515 0.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1681 0.7622 1.6565 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0486 -1.4356 3.1482 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8417 -0.1376 2.3748 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4321 -1.8678 2.3241 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2116 -3.3274 1.5124 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 8 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 22 24 1 0 12 5 1 0 20 13 1 0 22 12 1 0 1 25 1 0 1 26 1 0 1 27 1 0 5 28 1 0 9 29 1 0 9 30 1 0 9 31 1 0 10 32 1 0 11 33 1 0 11 34 1 0 13 35 1 0 14 36 1 0 15 37 1 0 15 38 1 0 15 39 1 0 16 40 1 0 16 41 1 0 20 42 1 0 23 43 1 0 23 44 1 0 23 45 1 0 24 46 1 0 M END