HMDB0039288 RDKit 3D beta-Sitosterol behenate 145148 0 0 0 0 0 0 0 0999 V2000 17.8786 -0.8972 -0.7032 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5642 -0.0964 -0.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8026 1.3328 -0.7332 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7374 2.3231 -0.6284 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0397 2.6320 0.6216 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2541 1.5671 1.2756 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1865 0.9939 0.3056 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2095 1.9941 -0.1425 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2331 1.5911 -1.1493 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3633 0.4332 -0.9026 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9573 -0.9207 -0.8985 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0491 -2.0635 -0.6428 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3406 -2.2301 0.6185 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3477 -1.2607 1.0965 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1823 -1.0113 0.1492 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4646 -2.3087 -0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3054 -2.1171 -0.9913 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3343 -1.1078 -0.4772 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1931 -0.9598 -1.4573 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4898 -2.2841 -1.5863 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3439 -2.1393 -2.5437 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3320 -1.1396 -2.1587 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2616 0.0060 -2.6990 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6270 -1.3809 -1.1686 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6132 -0.4334 -0.8052 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3819 0.1705 0.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6536 0.9929 0.8679 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6464 -0.0272 1.3576 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0681 -0.6786 2.5981 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8110 -1.0064 0.2503 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7375 -1.9283 0.4353 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5376 -1.9452 1.6754 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9140 -0.5670 2.1535 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9985 0.5239 1.7076 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4625 1.4425 0.6494 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9570 1.7343 0.6165 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6795 0.4424 0.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2575 -0.3669 -0.5837 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1576 0.4332 0.6444 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9228 1.6554 0.4029 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7613 2.8127 1.3144 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4461 1.3739 0.3478 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7893 0.4304 -0.7365 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3377 0.1688 -0.7889 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7458 -0.4072 0.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1704 -0.8072 0.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9901 1.4973 -1.0869 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4119 2.0428 -2.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.4514 1.2785 -1.4042 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5822 -0.2944 1.9433 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3555 -1.2158 2.1426 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3124 -0.1851 1.9419 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0020 -0.9510 -0.9980 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7606 -1.8810 -0.1918 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7308 -0.3552 -0.2789 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9222 -1.0539 -1.7907 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2726 -0.2924 0.6073 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8278 -0.5863 -1.0936 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2174 1.3795 -1.7976 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7185 1.6891 -0.1355 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9277 2.1128 -1.4347 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1709 3.2966 -1.0821 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3269 3.4942 0.4169 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7460 3.1291 1.3793 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6257 2.0956 2.1069 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7541 0.7277 1.7322 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6061 0.2794 1.0119 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7221 0.4247 -0.4525 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6814 2.4515 0.7654 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7769 2.8964 -0.5781 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7340 1.3987 -2.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5472 2.4636 -1.4089 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5295 0.4719 -1.6931 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7856 0.5751 0.0625 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8699 -1.0715 -0.3293 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3294 -1.1390 -2.0019 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3096 -2.0624 -1.5185 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5939 -3.0541 -0.8422 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8427 -3.2471 0.5946 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1418 -2.2814 1.4398 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6514 -0.3644 1.6098 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7968 -1.8368 1.9646 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4720 -0.5342 -0.7863 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5280 -0.2860 0.7068 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1156 -2.7013 0.9313 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1711 -3.0858 -0.4408 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6235 -1.8140 -1.9963 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8577 -3.1313 -1.1102 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8606 -1.4869 0.4758 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7930 -0.1181 -0.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6812 -0.6979 -2.4413 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4911 -0.1451 -1.1617 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1919 -3.0271 -2.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1089 -2.6724 -0.6434 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8862 -3.1690 -2.6476 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7809 -1.9404 -3.5439 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4688 0.4422 -1.5045 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3130 -0.6594 1.2893 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5217 0.8447 0.5418 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4256 1.7468 1.6441 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9484 1.4430 -0.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2120 -0.0855 3.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7265 -1.7104 2.3836 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7914 -0.7404 3.4342 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9248 -2.6820 -0.3114 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4712 -2.5082 1.4839 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9717 -2.5470 2.4145 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7932 -0.6437 3.2804 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7873 1.1759 2.6196 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0214 2.4747 0.8685 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0716 1.2515 -0.3719 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1607 2.3470 1.5242 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1445 2.3321 -0.2823 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4341 -1.4507 -0.4232 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3293 -0.0854 -1.0496 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0438 -0.1143 -1.3744 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5430 -0.3099 -0.1412 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7056 2.0172 -0.6403 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7286 3.4089 1.4183 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0775 3.5484 0.8486 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3539 2.5889 2.3207 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6195 0.8733 1.3467 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9215 2.3623 0.2762 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5374 0.7537 -1.7549 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4236 -0.6086 -0.4891 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5624 -0.5192 -1.6097 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5155 0.3489 1.3386 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1276 -1.2860 0.8179 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8800 -0.0016 0.8342 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4971 -1.5625 -0.0652 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2473 -1.4497 1.6693 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8614 2.2610 -0.3259 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4740 2.5750 -2.2642 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1548 2.7781 -2.7882 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3703 1.2321 -3.1735 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1381 1.7093 -0.6525 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7248 1.7031 -2.4254 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6612 0.2069 -1.5107 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5718 0.3854 2.8038 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5037 -0.8567 1.8217 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4379 -1.9581 1.3301 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3823 -1.6427 3.1471 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5431 0.6293 2.7006 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8989 -2.0358 -1.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5461 -0.4897 -1.8454 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 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 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 28 30 1 0 30 31 2 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 37 39 1 0 39 40 1 0 40 41 1 0 40 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 44 47 1 0 47 48 1 0 47 49 1 0 39 50 1 0 50 51 1 0 51 52 1 0 30 53 1 0 53 25 1 0 34 28 1 0 52 37 1 0 52 33 1 0 1 54 1 0 1 55 1 0 1 56 1 0 2 57 1 0 2 58 1 0 3 59 1 0 3 60 1 0 4 61 1 0 4 62 1 0 5 63 1 0 5 64 1 0 6 65 1 0 6 66 1 0 7 67 1 0 7 68 1 0 8 69 1 0 8 70 1 0 9 71 1 0 9 72 1 0 10 73 1 0 10 74 1 0 11 75 1 0 11 76 1 0 12 77 1 0 12 78 1 0 13 79 1 0 13 80 1 0 14 81 1 0 14 82 1 0 15 83 1 0 15 84 1 0 16 85 1 0 16 86 1 0 17 87 1 0 17 88 1 0 18 89 1 0 18 90 1 0 19 91 1 0 19 92 1 0 20 93 1 0 20 94 1 0 21 95 1 0 21 96 1 0 25 97 1 0 26 98 1 0 26 99 1 0 27100 1 0 27101 1 0 29102 1 0 29103 1 0 29104 1 0 31105 1 0 32106 1 0 32107 1 0 33108 1 0 34109 1 0 35110 1 0 35111 1 0 36112 1 0 36113 1 0 38114 1 0 38115 1 0 38116 1 0 39117 1 0 40118 1 0 41119 1 0 41120 1 0 41121 1 0 42122 1 0 42123 1 0 43124 1 0 43125 1 0 44126 1 0 45127 1 0 45128 1 0 46129 1 0 46130 1 0 46131 1 0 47132 1 0 48133 1 0 48134 1 0 48135 1 0 49136 1 0 49137 1 0 49138 1 0 50139 1 0 50140 1 0 51141 1 0 51142 1 0 52143 1 0 53144 1 0 53145 1 0 M END