HMDB0032182 RDKit 3D Cadinene 43 44 0 0 0 0 0 0 0 0999 V2000 3.2680 -2.0773 -0.2565 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1922 -1.1003 0.1646 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8104 0.2982 0.0238 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7316 1.2547 0.4851 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6096 1.1856 -0.5167 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3846 2.2530 -0.1334 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3846 3.5262 0.1504 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0992 1.8661 1.1466 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7653 0.5353 1.0503 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9388 -0.5599 0.4604 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8324 -1.6887 0.0162 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8437 -1.3204 -1.0092 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6203 -2.1690 1.2458 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0168 -0.1816 -0.6343 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0588 -1.2176 -0.8016 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0513 -2.1577 0.5399 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8613 -3.0746 -0.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7937 -1.6129 -1.1296 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8996 -1.2049 1.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7284 0.3772 0.6415 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0535 0.4869 -1.0302 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3776 0.9805 1.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1553 2.2668 0.4338 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0169 1.4560 -1.5118 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0779 2.3991 -0.9641 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3615 4.3629 0.0121 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7276 3.6060 1.1893 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1745 3.7238 -0.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4030 1.9545 2.0018 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8875 2.6342 1.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7219 0.7029 0.4853 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0222 0.2180 2.1036 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2872 -0.9503 1.3008 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2713 -2.5693 -0.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6809 -0.6947 -0.6383 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3484 -2.2726 -1.3527 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4466 -0.8702 -1.9361 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5770 -1.6236 1.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0358 -1.9540 2.1654 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8308 -3.2647 1.1363 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5828 -0.1685 -1.5989 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4785 -1.1094 -1.8214 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6621 -2.2458 -0.7372 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 11 13 1 0 10 14 1 0 14 15 1 0 15 2 1 0 14 5 1 0 1 16 1 0 1 17 1 0 1 18 1 0 2 19 1 0 3 20 1 0 3 21 1 0 4 22 1 0 4 23 1 0 5 24 1 0 6 25 1 0 7 26 1 0 7 27 1 0 7 28 1 0 8 29 1 0 8 30 1 0 9 31 1 0 9 32 1 0 10 33 1 0 11 34 1 0 12 35 1 0 12 36 1 0 12 37 1 0 13 38 1 0 13 39 1 0 13 40 1 0 14 41 1 0 15 42 1 0 15 43 1 0 M END