HMDB0000032 RDKit 3D 7-Dehydrocholesterol 72 75 0 0 0 0 0 0 0 0999 V2000 8.0566 0.9921 0.0828 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7528 0.2078 -0.0687 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0057 -1.2075 0.4024 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7199 0.9012 0.7895 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3782 0.2190 0.7255 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8188 0.1822 -0.6671 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4745 -0.5072 -0.7156 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6370 -1.9004 -0.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4942 0.3253 0.0444 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4526 1.6941 -0.6518 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0213 2.1667 -0.5997 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6243 1.2048 0.3264 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0837 1.0171 0.1187 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7341 1.9005 -0.5682 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1763 1.7339 -0.7913 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7802 0.6804 -0.2887 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2607 0.5501 -0.5413 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9295 0.4877 0.8095 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.2934 0.2119 0.5576 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3548 -0.7134 1.5337 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8933 -0.6019 1.7586 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1116 -0.3737 0.4537 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.2223 -1.6728 -0.3824 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6969 -0.1372 0.7396 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8747 -1.4090 0.5579 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3956 -1.1413 0.8645 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0758 -0.1057 -0.0877 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3229 -0.4285 -1.5078 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8553 0.5602 -0.5662 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3777 0.9798 1.1442 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9301 2.0444 -0.2421 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4724 0.1574 -1.1328 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8796 -1.5942 -0.1915 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1675 -1.8854 0.1535 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2900 -1.2633 1.4676 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0628 0.8462 1.8419 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6009 1.9604 0.5276 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6945 0.8466 1.3605 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4611 -0.7542 1.2053 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4926 -0.2462 -1.4072 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6278 1.2443 -0.9848 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1311 -0.5482 -1.7688 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9178 -2.5730 -0.7582 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6075 -2.0215 0.8654 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6498 -2.2596 -0.5478 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7150 0.4785 1.0982 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1540 2.3975 -0.1651 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7274 1.5666 -1.7185 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0224 3.2234 -0.2621 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4636 2.1017 -1.6106 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4124 1.4521 1.3673 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2967 2.7985 -1.0191 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7582 2.4675 -1.3663 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4991 -0.3767 -1.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6427 1.3992 -1.1535 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8324 1.3957 1.4057 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3200 -0.5866 -0.0381 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5933 -1.6441 0.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8721 -0.7878 2.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6030 0.2034 2.4418 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5382 -1.5546 2.2089 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7018 -1.5006 -1.3231 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7789 -2.5029 0.1573 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2989 -1.9291 -0.5419 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6387 0.0056 1.8975 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2042 -2.1198 1.3333 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9264 -1.8463 -0.4295 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1040 -2.1144 0.7994 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2713 -0.7848 1.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4200 -0.2289 -1.5955 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1767 0.2137 -2.2461 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1341 -1.4968 -1.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 6 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 6 27 9 1 0 27 12 1 0 24 13 1 0 22 16 1 0 1 29 1 0 1 30 1 0 1 31 1 0 2 32 1 0 3 33 1 0 3 34 1 0 3 35 1 0 4 36 1 0 4 37 1 0 5 38 1 0 5 39 1 0 6 40 1 0 6 41 1 0 7 42 1 6 8 43 1 0 8 44 1 0 8 45 1 0 9 46 1 1 10 47 1 0 10 48 1 0 11 49 1 0 11 50 1 0 12 51 1 1 14 52 1 0 15 53 1 0 17 54 1 0 17 55 1 0 18 56 1 1 19 57 1 0 20 58 1 0 20 59 1 0 21 60 1 0 21 61 1 0 23 62 1 0 23 63 1 0 23 64 1 0 24 65 1 1 25 66 1 0 25 67 1 0 26 68 1 0 26 69 1 0 28 70 1 0 28 71 1 0 28 72 1 0 M END