HMDB0000852 RDKit 3D beta-Sitosterol 80 83 0 0 0 0 0 0 0 0999 V2000 -6.6627 1.8491 -1.1247 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3580 1.9523 0.3088 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1218 1.1671 0.7913 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.9248 1.6484 0.1071 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5683 1.0972 0.3207 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3407 -0.2931 -0.1691 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5795 -0.4037 -1.6714 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0344 -0.8837 0.2466 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9685 -2.2933 -0.3073 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4700 -2.4480 -0.8199 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1668 -1.4481 0.0270 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5189 -1.0160 -0.4197 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4449 -2.2291 -0.6123 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7855 -1.6616 -0.9147 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1511 -0.4357 -0.5731 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5481 -0.0177 -0.9570 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2773 0.3309 0.2994 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5748 0.7359 0.0972 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5005 1.4630 0.9653 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1196 1.0167 1.3446 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3044 0.5474 0.1477 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9926 1.6973 -0.7726 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0885 -0.1665 0.6775 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1057 0.6910 1.3836 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7159 0.7498 0.9391 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2332 -0.2272 -0.0940 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3904 0.3717 -1.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4283 -0.2456 1.0251 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8867 -1.0858 -0.1039 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6331 -0.2439 2.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6061 1.2375 -1.3007 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9995 2.8718 -1.4843 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8732 1.5707 -1.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1226 3.0276 0.5585 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2383 1.6867 0.9105 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0375 1.5998 1.8628 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0708 1.7280 -1.0248 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8876 2.7893 0.3466 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8313 1.8290 -0.1111 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3143 1.1075 1.4261 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0809 -0.9513 0.2744 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4958 -0.9810 -1.9216 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7713 0.6184 -2.1162 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7607 -0.9180 -2.2093 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0757 -0.9864 1.3679 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7204 -2.5398 -1.0455 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0631 -3.0545 0.5023 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8536 -3.4793 -0.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5528 -2.3241 -1.8965 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2261 -1.7930 1.0617 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5468 -0.4781 -1.3741 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5184 -2.7282 0.3817 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0750 -2.8961 -1.4069 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4647 -2.3360 -1.4489 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0550 -0.7714 -1.5598 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4188 0.8902 -1.5806 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2817 -0.5169 1.0088 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2208 -0.0344 0.0897 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5163 2.3828 0.3642 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0407 1.6849 1.9061 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2056 0.1582 2.0351 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6171 1.8714 1.8405 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1326 2.3030 -0.4909 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7675 1.2712 -1.7909 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9004 2.3071 -0.8784 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5066 -0.9081 1.4264 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1151 0.4675 2.4964 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5426 1.7387 1.3715 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0068 0.6522 1.8061 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4661 1.7735 0.5241 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4285 0.9887 -1.7959 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7045 -0.3325 -2.2381 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2602 1.0968 -1.3819 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6636 -0.7424 1.6245 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7288 -0.7063 -1.1074 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9740 -1.3852 -0.0573 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3480 -2.0804 -0.0622 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5902 0.6144 2.6936 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5639 -0.2532 1.4389 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6174 -1.1659 2.6421 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 6 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 2 0 15 16 1 0 16 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 6 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 6 3 28 1 0 28 29 1 0 28 30 1 0 26 8 1 0 26 11 1 0 23 12 1 0 21 15 1 0 1 31 1 0 1 32 1 0 1 33 1 0 2 34 1 0 2 35 1 0 3 36 1 1 4 37 1 0 4 38 1 0 5 39 1 0 5 40 1 0 6 41 1 1 7 42 1 0 7 43 1 0 7 44 1 0 8 45 1 1 9 46 1 0 9 47 1 0 10 48 1 0 10 49 1 0 11 50 1 1 12 51 1 6 13 52 1 0 13 53 1 0 14 54 1 0 16 55 1 0 16 56 1 0 17 57 1 1 18 58 1 0 19 59 1 0 19 60 1 0 20 61 1 0 20 62 1 0 22 63 1 0 22 64 1 0 22 65 1 0 23 66 1 1 24 67 1 0 24 68 1 0 25 69 1 0 25 70 1 0 27 71 1 0 27 72 1 0 27 73 1 0 28 74 1 0 29 75 1 0 29 76 1 0 29 77 1 0 30 78 1 0 30 79 1 0 30 80 1 0 M END