HMDB0006847 RDKit 3D Episterol 75 78 0 0 0 0 0 0 0 0999 V2000 5.0757 0.4169 1.9036 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4195 -0.4411 0.9694 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4158 -1.2845 0.3034 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9972 -0.8436 0.4902 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7668 0.4775 -0.1566 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0468 0.3060 -1.6318 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4600 1.0987 0.1855 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2696 2.4225 -0.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1825 2.4269 -0.9976 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7973 1.5195 0.0037 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1478 1.0023 -0.3315 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8388 1.4412 -1.3756 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1986 0.9186 -1.7086 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7934 0.5479 -0.3372 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.2511 0.3310 -0.4019 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8197 -0.8809 0.2243 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.4617 -1.7242 -0.7182 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9107 -1.6848 1.0895 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6546 -1.0004 1.5032 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9550 -0.5385 0.2264 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.7879 -1.7099 -0.7299 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6222 -0.0385 0.6147 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5841 -1.1239 0.7851 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2404 -0.5351 1.1022 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2197 0.3608 -0.0217 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0404 -0.3396 -1.3165 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8722 -0.5132 0.6175 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7026 0.4293 1.4429 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1096 -0.1834 -0.8316 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8134 1.0552 2.4075 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0466 0.5371 2.2642 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5522 -2.3591 0.6606 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7003 -1.3613 -0.7776 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3697 -1.6415 -0.0223 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7879 -0.8713 1.5824 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5402 1.1872 0.1837 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6784 1.1044 -2.2728 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7434 -0.7242 -1.9827 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1513 0.3172 -1.7468 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5318 1.3183 1.2966 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9892 2.6958 -1.2452 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2771 3.2869 0.2503 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6110 3.4349 -0.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1875 2.0339 -2.0222 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8173 2.0125 0.9858 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4181 2.1959 -2.0093 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2064 0.0917 -2.4134 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8392 1.7390 -2.1265 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5952 1.4691 0.2894 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8061 1.2603 -0.0671 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5232 0.2905 -1.5025 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6778 -0.5606 0.8912 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8285 -1.1578 -1.4422 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6484 -2.6419 0.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4173 -2.0341 2.0366 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9027 -0.0662 2.0664 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0400 -1.7015 2.0755 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3257 -2.5608 -0.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1561 -1.4467 -1.5984 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7660 -2.0192 -1.1621 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7163 0.4372 1.6318 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8883 -1.7869 1.5973 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4634 -1.7357 -0.1317 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4519 -1.3309 1.3665 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3421 0.1249 2.0041 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5089 0.1184 -2.1905 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2727 -1.4202 -1.1979 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0661 -0.3132 -1.5481 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2207 -1.5444 0.8216 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6669 0.2418 2.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3862 1.4822 1.2075 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7744 0.4016 1.1205 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5938 0.7184 -1.1656 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8320 -1.0799 -1.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2035 -0.0543 -0.9699 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 2 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 6 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 6 2 27 1 0 27 28 1 0 27 29 1 0 25 7 1 0 25 10 1 0 22 11 1 0 20 14 1 0 1 30 1 0 1 31 1 0 3 32 1 0 3 33 1 0 4 34 1 0 4 35 1 0 5 36 1 1 6 37 1 0 6 38 1 0 6 39 1 0 7 40 1 1 8 41 1 0 8 42 1 0 9 43 1 0 9 44 1 0 10 45 1 1 12 46 1 0 13 47 1 0 13 48 1 0 14 49 1 1 15 50 1 0 15 51 1 0 16 52 1 1 17 53 1 0 18 54 1 0 18 55 1 0 19 56 1 0 19 57 1 0 21 58 1 0 21 59 1 0 21 60 1 0 22 61 1 1 23 62 1 0 23 63 1 0 24 64 1 0 24 65 1 0 26 66 1 0 26 67 1 0 26 68 1 0 27 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 M END