HMDB0250172 RDKit 3D Cholesterol iopanoate 101105 0 0 0 0 0 0 0 0999 V2000 -7.3091 2.2161 1.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8803 0.9062 2.4105 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2116 -0.2756 1.5013 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6559 -0.4153 1.2228 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0275 -1.5559 0.3609 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0277 -1.5416 -1.0055 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6333 0.2566 -2.0548 I 0 0 0 0 0 0 0 0 0 0 0 0 -9.3347 -2.6721 -1.7681 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6513 -3.8458 -1.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1158 -5.5531 -2.2935 I 0 0 0 0 0 0 0 0 0 0 0 0 -9.6605 -3.8868 0.2309 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3596 -2.7825 0.9667 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3886 -2.8954 3.0786 I 0 0 0 0 0 0 0 0 0 0 0 0 -6.2773 -0.3334 0.3632 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9328 -1.4283 -0.1713 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7145 0.8187 -0.1958 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8486 0.8139 -1.2452 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5535 1.4431 -0.8649 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9436 2.7529 -0.4900 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0156 0.7578 0.3311 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5456 0.4818 0.3487 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7786 1.6098 -0.2996 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1566 2.8760 0.5112 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2789 1.8894 -1.6651 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4822 2.4441 -2.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9308 2.7671 -2.2459 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3605 1.4368 -1.5963 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6815 1.4289 -0.2682 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2353 0.2558 0.4847 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0723 -0.6252 -0.3684 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3003 0.0103 -0.9927 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5959 -0.7843 -2.2287 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3543 0.3486 -0.0733 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6222 -0.4617 0.0346 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4075 -0.5093 -1.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3724 -1.7853 0.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4488 -2.7484 0.8765 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5815 -2.4685 1.7691 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5474 -1.3972 1.5023 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3057 -1.5475 0.2019 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6473 -1.5570 2.5985 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8250 1.7835 -0.3643 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5083 2.4291 -0.7204 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8393 1.3837 -1.5257 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6874 1.5382 -2.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0367 2.7602 2.4948 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4226 2.8756 1.7697 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7015 2.1235 0.7969 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3620 0.7930 3.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7938 0.8740 2.5777 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9342 -1.1744 2.1708 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1716 -0.5847 2.2115 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1232 0.5209 0.8176 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3131 -2.5856 -2.8575 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9142 -4.8219 0.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6148 -0.1303 -1.6002 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4287 3.1502 -1.2401 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3277 1.2547 1.2778 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5113 -0.2709 0.3796 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2673 -0.4709 -0.1302 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2468 0.5126 1.4398 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2089 3.2034 1.0343 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8866 2.6300 1.2977 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4295 3.7117 -0.1313 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8617 2.6400 -3.5776 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5474 3.0012 -3.1114 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9153 3.5186 -1.4582 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0163 0.6420 -2.2903 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0995 2.3413 0.2753 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8800 0.5609 1.3608 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4660 -0.4006 0.9454 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4266 -1.0098 -1.2096 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3014 -1.5328 0.2245 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8232 -0.1504 -3.1178 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6094 -1.2534 -2.5389 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 -1.6503 -2.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9553 0.4034 0.9633 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2207 0.1366 0.7502 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6622 -1.5038 -1.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9200 0.0422 -2.0699 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3881 0.0498 -1.1458 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5218 -2.3378 0.1591 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9097 -1.5943 1.6935 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8936 -3.1438 -0.0911 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9971 -3.7272 1.2852 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1746 -3.4156 1.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1452 -2.2678 2.7934 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2194 -0.3575 1.6647 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7297 -2.0848 -0.5772 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4999 -0.5257 -0.1854 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2386 -2.0842 0.3869 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2264 -2.4761 2.3376 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2513 -0.6461 2.6215 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0925 -1.6778 3.5341 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3253 2.2324 0.4993 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4749 1.8460 -1.2302 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7027 3.3382 -1.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0418 2.7562 0.1988 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2025 1.5284 -2.5888 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6594 0.5345 -2.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0821 2.3188 -2.7346 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 2 0 6 7 1 0 6 8 1 0 8 9 2 0 9 10 1 0 9 11 1 0 11 12 2 0 12 13 1 0 3 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 22 24 1 0 24 25 2 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 31 33 1 0 33 34 1 0 34 35 1 0 34 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 39 41 1 0 33 42 1 0 42 43 1 0 43 44 1 0 24 45 1 0 12 5 1 0 45 18 1 0 28 22 1 0 44 31 1 0 44 27 1 0 1 46 1 0 1 47 1 0 1 48 1 0 2 49 1 0 2 50 1 0 3 51 1 0 4 52 1 0 4 53 1 0 8 54 1 0 11 55 1 0 17 56 1 0 19 57 1 0 20 58 1 0 20 59 1 0 21 60 1 0 21 61 1 0 23 62 1 0 23 63 1 0 23 64 1 0 25 65 1 0 26 66 1 0 26 67 1 0 27 68 1 0 28 69 1 0 29 70 1 0 29 71 1 0 30 72 1 0 30 73 1 0 32 74 1 0 32 75 1 0 32 76 1 0 33 77 1 0 34 78 1 0 35 79 1 0 35 80 1 0 35 81 1 0 36 82 1 0 36 83 1 0 37 84 1 0 37 85 1 0 38 86 1 0 38 87 1 0 39 88 1 0 40 89 1 0 40 90 1 0 40 91 1 0 41 92 1 0 41 93 1 0 41 94 1 0 42 95 1 0 42 96 1 0 43 97 1 0 43 98 1 0 44 99 1 0 45100 1 0 45101 1 0 M END