HMDB0006500 RDKit 3D Previtamin D3 72 74 0 0 0 0 0 0 0 0999 V2000 -5.7938 1.5528 0.1289 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3723 1.8394 0.1931 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4320 0.8470 0.4748 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0344 -0.3859 0.6671 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5628 -1.5153 0.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2399 -2.0297 0.9007 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2352 -3.3668 1.1794 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9754 -4.0737 1.2767 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1185 -3.7869 0.1023 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0737 -2.3486 -0.1794 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3875 -2.1234 -1.5924 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9225 -1.5184 0.6745 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1587 -1.2688 1.9226 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2859 -1.0868 1.4582 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4122 -1.9033 0.1870 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2325 -1.1073 -0.7693 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5336 -1.7652 -2.0746 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4949 -0.7622 -0.0318 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5026 0.0253 -0.7486 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0225 1.3775 -1.2209 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5854 2.2442 -0.0745 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1025 3.6012 -0.5231 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6639 2.4351 0.9573 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1477 1.4987 0.5749 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7995 1.9894 -0.8418 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0246 0.9580 -1.7218 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7702 3.1427 -1.1422 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8583 3.1752 -0.0963 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0169 0.8225 -0.6834 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3180 2.4930 -0.2167 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2666 1.2622 1.1069 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2358 -0.4104 0.6911 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4088 -2.3168 0.9789 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2002 -3.8716 1.3301 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3230 -5.1608 1.0661 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4996 -4.1828 2.2468 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5720 -4.3207 -0.7941 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8810 -4.2700 0.3156 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4963 -2.2400 -1.5596 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2231 -1.0986 -1.9598 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0473 -2.9078 -2.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0194 -0.5814 0.0753 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1199 -2.0806 2.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5385 -0.3979 2.4926 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3483 0.0091 1.2747 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0174 -1.3320 2.2253 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0288 -2.7905 0.4654 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6971 -0.1602 -0.9811 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5757 -1.5042 -2.3542 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9490 -1.3422 -2.9394 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4878 -2.8678 -2.0442 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9689 -1.7585 0.2232 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3204 -0.2958 0.9541 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2907 0.2837 0.0329 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1100 -0.5019 -1.5087 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1161 1.2036 -1.8557 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7565 1.8682 -1.8758 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7196 1.7464 0.4063 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8319 4.1278 -1.1705 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0982 3.5457 -0.9775 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9905 4.2252 0.3949 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4980 1.7144 1.7839 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6817 2.2195 0.5686 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5702 3.4434 1.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2942 2.5308 1.1603 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2955 1.0958 1.0455 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7890 2.3557 -0.8254 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5535 1.3052 -2.4849 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2422 2.9078 -2.1149 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2047 4.0869 -1.1956 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7127 3.7009 -0.6764 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6370 3.8007 0.7754 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 2 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 6 10 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 21 23 1 0 3 24 1 0 24 25 1 0 25 26 1 0 25 27 1 0 27 28 1 0 28 2 1 0 12 6 1 0 15 10 1 0 1 29 1 0 1 30 1 0 1 31 1 0 4 32 1 0 5 33 1 0 7 34 1 0 8 35 1 0 8 36 1 0 9 37 1 0 9 38 1 0 11 39 1 0 11 40 1 0 11 41 1 0 12 42 1 0 13 43 1 0 13 44 1 0 14 45 1 0 14 46 1 0 15 47 1 1 16 48 1 6 17 49 1 0 17 50 1 0 17 51 1 0 18 52 1 0 18 53 1 0 19 54 1 0 19 55 1 0 20 56 1 0 20 57 1 0 21 58 1 0 22 59 1 0 22 60 1 0 22 61 1 0 23 62 1 0 23 63 1 0 23 64 1 0 24 65 1 0 24 66 1 0 25 67 1 1 26 68 1 0 27 69 1 0 27 70 1 0 28 71 1 0 28 72 1 0 M END