HMDB0039810 RDKit 3D Cyclocalopin A 41 43 0 0 0 0 0 0 0 0999 V2000 3.3577 -2.1454 0.1259 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4257 -1.0117 0.3304 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6367 -1.0501 1.3856 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6825 0.0267 1.6692 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1478 0.7346 0.4643 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2643 1.1651 -0.4287 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8583 1.4904 -1.7110 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3249 0.1309 -0.5496 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1727 0.2657 -1.4671 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9815 0.0575 -0.2139 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8713 -1.3678 -0.5113 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3068 -1.6471 -1.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2864 -1.9666 -0.5305 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2507 -0.9633 -0.8513 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3458 0.0778 0.0985 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3704 0.7472 0.2744 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0702 0.2644 0.8519 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8811 1.5110 1.3431 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6026 1.9525 1.0333 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7339 3.0426 0.0067 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1058 2.4052 2.1224 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1960 -2.1534 0.8549 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8270 -3.1326 0.2599 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7209 -2.1444 -0.9247 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6969 -1.8868 2.0474 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2453 0.8022 2.2694 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1052 -0.3399 2.3498 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7487 2.0558 0.0315 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2475 2.3639 -2.0045 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2593 0.6234 -1.1084 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2992 -1.9909 0.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8281 -2.5053 -2.3831 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4668 -0.7703 -2.5714 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7651 -1.9366 -1.8588 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3791 -2.7491 -1.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5427 -2.4204 0.4434 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9842 -0.5621 1.5718 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1563 3.7020 -0.0207 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0180 2.6881 -0.9923 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5809 3.7048 0.3468 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4157 2.9324 2.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 0 8 9 2 0 5 10 1 0 10 11 1 0 11 12 1 0 11 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 19 21 1 0 8 2 1 0 17 10 1 0 19 5 1 0 1 22 1 0 1 23 1 0 1 24 1 0 3 25 1 0 4 26 1 0 4 27 1 0 6 28 1 0 7 29 1 0 10 30 1 0 11 31 1 0 12 32 1 0 12 33 1 0 12 34 1 0 13 35 1 0 13 36 1 0 17 37 1 0 20 38 1 0 20 39 1 0 20 40 1 0 21 41 1 0 M END