HMDB0030078 RDKit 3D 25-Methyl-24-methylenecholesterol 78 81 0 0 0 0 0 0 0 0999 V2000 -6.3009 1.6724 -0.4604 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6230 0.5807 -0.0097 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5301 0.8390 0.9291 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1308 0.8187 0.6075 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3466 -0.3279 0.1061 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4101 -1.4574 1.0911 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9988 0.0191 -0.3972 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9693 1.0040 -1.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4597 0.8058 -2.0065 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1737 0.8318 -0.6755 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3284 -0.1138 -0.7615 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1905 0.3737 -1.9007 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6227 0.3122 -1.7162 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2017 0.3019 -0.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6779 0.2399 -0.3462 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0651 -1.0033 0.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4845 -2.0328 -0.4250 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8857 -1.5223 1.2075 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1493 -0.3446 1.7717 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3452 0.3502 0.6678 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2286 1.7869 1.0964 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0704 -0.3707 0.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1667 -0.1126 1.6759 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7929 -0.5891 1.2393 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1310 0.4789 0.4054 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0220 1.7721 1.1647 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1515 -0.7086 -0.4761 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4537 -0.4854 -1.2796 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3147 -1.5289 -1.3857 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5779 -1.5968 0.6889 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1107 1.6592 -1.1379 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9339 2.6328 -0.0527 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7374 1.8638 1.4371 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8176 0.1933 1.8321 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5637 1.1664 1.5573 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9329 1.7580 -0.0364 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8726 -0.7083 -0.7948 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8870 -2.3624 0.8025 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1014 -1.1875 2.1141 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4724 -1.7824 1.1807 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5660 -0.9174 -0.9237 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6143 0.7147 -2.3839 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0423 2.0525 -1.2422 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7028 1.6823 -2.6421 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5969 -0.1541 -2.5397 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5822 1.8380 -0.5748 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8930 -1.0823 -1.1396 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9311 1.4270 -2.1722 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9510 -0.1886 -2.8599 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2632 0.2727 -2.6181 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2098 0.2470 -1.3218 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9686 1.1271 0.2735 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8839 -0.7964 1.1529 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0701 -1.8907 -1.3018 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2532 -2.1545 2.0483 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2084 -2.1017 0.5752 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8296 0.3913 2.2597 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4796 -0.7141 2.5648 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2739 2.2152 1.1339 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6725 2.4316 0.4243 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8564 1.8926 2.1338 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2901 -1.4747 0.5474 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4579 -0.7030 2.5651 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0722 0.9293 1.9677 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8507 -1.5055 0.6045 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2673 -0.8723 2.1386 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9096 2.3855 1.1465 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7848 2.4446 0.7328 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3398 1.5306 2.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2113 0.0263 -2.2227 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8471 -1.4901 -1.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1644 0.0715 -0.6772 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6621 -2.2527 -0.8366 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7913 -0.9670 -2.1782 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0082 -2.2157 -1.9627 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5792 -1.2770 1.0269 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6855 -2.6228 0.2827 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8928 -1.5255 1.5369 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 5 7 1 0 7 8 1 0 8 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 1 0 16 17 1 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 2 27 1 0 27 28 1 0 27 29 1 0 27 30 1 0 25 7 1 0 25 10 1 0 22 11 1 0 20 14 1 0 1 31 1 0 1 32 1 0 3 33 1 0 3 34 1 0 4 35 1 0 4 36 1 0 5 37 1 0 6 38 1 0 6 39 1 0 6 40 1 0 7 41 1 0 8 42 1 0 8 43 1 0 9 44 1 0 9 45 1 0 10 46 1 0 11 47 1 0 12 48 1 0 12 49 1 0 13 50 1 0 15 51 1 0 15 52 1 0 16 53 1 0 17 54 1 0 18 55 1 0 18 56 1 0 19 57 1 0 19 58 1 0 21 59 1 0 21 60 1 0 21 61 1 0 22 62 1 0 23 63 1 0 23 64 1 0 24 65 1 0 24 66 1 0 26 67 1 0 26 68 1 0 26 69 1 0 28 70 1 0 28 71 1 0 28 72 1 0 29 73 1 0 29 74 1 0 29 75 1 0 30 76 1 0 30 77 1 0 30 78 1 0 M END