HMDB0059698 RDKit 3D Cadalene 33 34 0 0 0 0 0 0 0 0999 V2000 -0.5699 3.5581 1.1769 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9033 2.1742 0.7623 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1890 1.7127 0.6658 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4679 0.4313 0.2288 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4581 -0.4526 -0.1373 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7990 -1.6964 -0.6568 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2105 -2.0969 -0.6996 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7762 -2.4978 -1.0963 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5399 -2.0582 -1.0074 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8828 -0.8105 -0.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2570 -0.4431 -0.1388 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2811 -0.2855 -1.2051 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5427 0.0367 1.2458 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1528 0.0017 -0.0435 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0910 1.2753 0.3923 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5096 3.5978 1.4553 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2785 3.8972 1.9263 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6018 4.2218 0.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9823 2.4134 0.9513 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4987 0.0916 0.1696 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3645 -3.1334 -1.0573 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8422 -1.3533 -1.2528 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6174 -2.1168 0.3486 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0641 -3.4845 -1.4908 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3524 -2.6950 -1.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5874 -1.6432 0.1387 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8208 -1.1633 -1.5645 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7482 0.1349 -2.1313 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0804 0.4732 -0.8928 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6771 -0.1298 1.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9815 1.0279 1.3939 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3399 -0.6351 1.7569 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0841 1.6476 0.4199 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 2 0 5 6 1 0 6 7 1 0 6 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 11 13 1 0 10 14 1 0 14 15 2 0 15 2 1 0 14 5 1 0 1 16 1 0 1 17 1 0 1 18 1 0 3 19 1 0 4 20 1 0 7 21 1 0 7 22 1 0 7 23 1 0 8 24 1 0 9 25 1 0 11 26 1 0 12 27 1 0 12 28 1 0 12 29 1 0 13 30 1 0 13 31 1 0 13 32 1 0 15 33 1 0 M END