HMDB0039811 RDKit 3D Cyclocalopin B 53 55 0 0 0 0 0 0 0 0999 V2000 2.3879 -3.6713 1.8894 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5807 -2.3042 1.3054 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5258 -1.5782 1.7001 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7541 -1.8025 0.3406 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8786 -0.5234 -0.2526 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1789 -0.5984 -1.6974 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5722 -0.7504 -2.1682 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1502 -0.5230 -2.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2455 -0.3736 -2.1415 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5020 0.1635 -0.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7134 0.3929 0.0504 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0956 1.7513 0.0415 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1854 2.5617 1.1594 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5990 3.9631 0.9775 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9014 2.0230 2.2533 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6177 -0.5764 -0.1197 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5743 -1.1003 1.2323 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0012 -0.1754 2.3445 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7131 -2.1573 1.2721 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8934 -1.6455 0.6929 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9855 -0.4559 -0.0074 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0729 -0.1270 -0.5311 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8220 0.3901 -0.1234 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5759 1.0638 -1.2769 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2426 1.4952 -1.0045 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7675 2.2061 -2.2066 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3230 2.2803 0.1135 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4215 -4.0696 1.4754 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3243 -3.6411 2.9886 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2096 -4.3207 1.5276 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7650 -0.0670 0.2401 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2123 -1.1361 -1.3465 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6324 -1.3968 -3.0691 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9408 0.2659 -2.4617 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3770 -0.5793 -3.5849 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7937 0.1642 -2.9431 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6917 -1.4159 -2.1786 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4840 0.1602 1.1111 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4453 4.1041 0.2963 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8638 4.4475 1.9599 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7634 4.5991 0.5706 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9430 -1.3896 -0.8397 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6903 -1.6489 1.5626 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1114 -0.0323 2.3799 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5329 0.7850 2.3983 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7676 -0.7158 3.3088 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9324 -2.4467 2.3001 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3759 -2.9923 0.6236 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7502 1.0974 0.7214 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4477 2.0919 -3.0961 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7917 3.3125 -1.9905 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2560 1.9829 -2.5295 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0535 2.9132 0.0079 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 1 0 6 8 2 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 13 15 2 0 10 16 1 0 16 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 25 27 1 0 11 5 1 0 23 16 1 0 25 10 1 0 1 28 1 0 1 29 1 0 1 30 1 0 5 31 1 0 7 32 1 0 7 33 1 0 7 34 1 0 8 35 1 0 9 36 1 0 9 37 1 0 11 38 1 0 14 39 1 0 14 40 1 0 14 41 1 0 16 42 1 0 17 43 1 0 18 44 1 0 18 45 1 0 18 46 1 0 19 47 1 0 19 48 1 0 23 49 1 0 26 50 1 0 26 51 1 0 26 52 1 0 27 53 1 0 M END