HMDB0036452 RDKit 3D alpha-Cadinol 42 43 0 0 0 0 0 0 0 0999 V2000 -0.6823 4.0173 0.2368 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7641 2.5443 0.0523 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2891 1.7430 0.1913 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1618 0.2564 -0.0047 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2873 -0.4258 0.6776 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5624 -0.5358 -0.0652 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4934 -1.2792 -1.3543 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2745 0.7679 -0.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8372 -1.8356 1.0356 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1934 -2.3398 0.0814 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4865 -1.6006 0.3554 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3338 -1.6864 -0.8747 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1217 -2.2210 1.4188 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1117 -0.1641 0.7069 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2799 0.6847 0.4822 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0564 1.9444 -0.2976 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1618 4.5217 -0.6272 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3190 4.2656 1.1204 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3662 4.3474 0.3865 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2274 2.2197 0.4501 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0929 0.0736 -1.0854 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4811 0.0861 1.6391 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2520 -1.1360 0.6044 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4181 -2.3855 -1.2169 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7500 -0.8814 -2.0672 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4912 -1.1351 -1.8666 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8127 1.3629 -1.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2950 0.4947 -0.7026 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4595 1.3533 0.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4119 -1.8550 2.0539 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7124 -2.5348 1.0556 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3051 -3.4347 0.2376 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0401 -2.1688 -0.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4092 -1.8060 -0.5914 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0753 -2.6362 -1.4104 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1677 -0.8733 -1.6002 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5210 -3.0641 1.0906 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8522 -0.1882 1.7924 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1169 0.1375 -0.0452 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7351 0.9860 1.4582 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1123 1.7304 -1.3983 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9108 2.6507 -0.1063 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 5 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 11 13 1 1 11 14 1 0 14 15 1 0 15 16 1 0 16 2 1 0 14 4 1 0 1 17 1 0 1 18 1 0 1 19 1 0 3 20 1 0 4 21 1 6 5 22 1 1 6 23 1 0 7 24 1 0 7 25 1 0 7 26 1 0 8 27 1 0 8 28 1 0 8 29 1 0 9 30 1 0 9 31 1 0 10 32 1 0 10 33 1 0 12 34 1 0 12 35 1 0 12 36 1 0 13 37 1 0 14 38 1 1 15 39 1 0 15 40 1 0 16 41 1 0 16 42 1 0 M END