HMDB0011662 RDKit 3D 3-beta-Hydroxy-4-beta-methyl-5-alpha-cholest-7-ene-4-alpha-carboxylate 80 83 0 0 0 0 0 0 0 0999 V2000 -7.3394 0.8025 1.6275 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7116 -0.4974 1.2472 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5215 -1.1216 0.1347 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2500 -0.3679 0.8662 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1656 0.5695 -0.3149 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7579 0.8055 -0.8043 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1288 -0.4639 -1.2352 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.9254 -1.1303 -2.3758 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7438 -0.4105 -1.6907 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4494 0.4708 -2.8889 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0681 0.7402 -2.8195 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4871 -0.1751 -1.7483 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7193 0.0604 -1.0248 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5336 1.0851 -1.2305 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7952 1.3296 -0.4925 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1933 -0.0448 0.0659 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5280 -0.0717 0.6749 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2852 1.1751 0.1878 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3396 -1.2255 0.1381 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7879 -2.1270 0.8922 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6057 -1.3065 -1.2219 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6108 -0.0778 2.1530 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8432 1.2319 2.6340 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4795 -0.7490 2.8611 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5726 -1.4955 1.9023 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0401 -0.4730 0.9299 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4392 0.6462 1.7311 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9925 -1.0090 0.0141 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7608 -1.5166 0.6409 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4794 -0.7233 0.4836 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6726 0.0415 -0.7483 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7088 1.5157 -0.4637 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6202 1.3784 0.7262 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2934 0.5695 2.1601 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7332 1.3934 2.3431 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7923 -1.1947 2.1276 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0727 -2.0922 -0.1687 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7302 -0.4434 -0.6968 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5178 -1.3817 0.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6859 -0.0255 1.7431 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9014 -1.3907 0.6106 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6518 1.5378 -0.0321 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8183 0.1405 -1.1028 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1979 1.1537 0.1087 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8097 1.5859 -1.5753 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1791 -1.1826 -0.3925 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2781 -1.9066 -2.8576 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1725 -0.4010 -3.1642 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8038 -1.6649 -1.9769 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4495 -1.4524 -2.0203 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0280 1.3903 -2.9163 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6748 -0.0862 -3.8452 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2868 1.7949 -2.6767 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5168 0.4562 -3.8149 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4721 -1.2223 -2.1118 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2706 1.8142 -1.9985 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7297 2.0913 0.2804 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5704 1.5901 -1.2411 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2221 -0.6991 -0.8579 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2710 1.1632 0.7055 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7648 2.0965 0.4455 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5172 1.0899 -0.8957 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8806 -1.2237 -1.9259 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5466 -0.6377 2.4535 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7999 1.4310 2.6716 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8256 -1.4906 3.6337 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8945 -0.0006 3.4078 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0934 -2.3209 1.3988 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7745 -1.9516 2.5211 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6066 1.1562 1.2295 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1540 1.3815 2.1033 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9847 0.1700 2.6495 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4991 -1.8226 -0.5897 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8937 -1.7154 1.7466 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5432 -2.5500 0.2325 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5614 -0.0389 1.3796 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3638 -1.4154 0.6147 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3750 2.0931 -1.1172 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9410 1.7595 0.5948 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3070 1.9307 -0.6267 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 1 0 16 17 1 0 17 18 1 0 17 19 1 6 19 20 2 0 19 21 1 0 17 22 1 0 22 23 1 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 1 26 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 1 31 9 1 0 31 12 1 0 28 13 1 0 26 16 1 0 1 33 1 0 1 34 1 0 1 35 1 0 2 36 1 0 3 37 1 0 3 38 1 0 3 39 1 0 4 40 1 0 4 41 1 0 5 42 1 0 5 43 1 0 6 44 1 0 6 45 1 0 7 46 1 1 8 47 1 0 8 48 1 0 8 49 1 0 9 50 1 0 10 51 1 0 10 52 1 0 11 53 1 0 11 54 1 0 12 55 1 6 14 56 1 0 15 57 1 0 15 58 1 0 16 59 1 6 18 60 1 0 18 61 1 0 18 62 1 0 21 63 1 0 22 64 1 6 23 65 1 0 24 66 1 0 24 67 1 0 25 68 1 0 25 69 1 0 27 70 1 0 27 71 1 0 27 72 1 0 28 73 1 6 29 74 1 0 29 75 1 0 30 76 1 0 30 77 1 0 32 78 1 0 32 79 1 0 32 80 1 0 M END