HMDB0002027 RDKit 3D 8-Dehydrocholesterol 72 75 0 0 0 0 0 0 0 0999 V2000 5.7224 -1.4873 1.5963 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5030 -0.0882 1.0787 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6367 0.7857 1.6058 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5575 -0.0058 -0.4323 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4908 -0.8834 -1.0543 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0968 -0.5078 -0.6462 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6986 0.8956 -1.0103 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7362 1.1981 -2.4644 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4864 1.3342 -0.2688 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0953 2.7535 -0.6406 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3769 2.6141 -1.0625 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8005 1.5807 -0.0731 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1043 0.9518 -0.2808 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3325 -0.1312 0.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2875 -0.5100 1.4248 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1175 -0.4148 0.9208 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2711 0.4955 -0.2988 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0073 -0.3153 -1.5011 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5729 -0.9348 0.3088 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.3506 -2.0265 -0.7472 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8148 -1.6207 1.6145 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2354 -1.9276 1.9295 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1369 -0.7629 1.6561 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.4138 -0.9306 2.1228 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0942 -0.5478 0.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7102 -0.1239 -0.1741 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5104 0.9623 -0.8715 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1431 1.4262 -1.2071 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2245 -2.1387 0.8657 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3015 -1.5002 2.5431 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7069 -1.8852 1.8663 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5461 0.3532 1.4038 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6974 1.7534 1.0613 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5199 1.0129 2.6819 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6210 0.2928 1.4642 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4961 1.0460 -0.7068 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5389 -0.4707 -0.7418 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6228 -1.0186 -2.1304 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6620 -1.9102 -0.6087 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0281 -0.6859 0.4475 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4229 -1.2581 -1.1093 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5294 1.5370 -0.5619 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9009 1.8308 -2.8293 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7621 0.3093 -3.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6571 1.7778 -2.7852 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7894 1.4002 0.8239 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7194 3.2276 -1.3849 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0704 3.4404 0.2377 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9275 3.5423 -0.8904 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4714 2.3090 -2.1056 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6311 1.9794 0.9427 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4223 0.0575 2.3942 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5037 -1.5741 1.7394 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7381 0.0070 1.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4652 -1.4419 0.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5037 -0.0500 -2.4253 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0433 -1.4011 -1.2721 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1052 -0.1636 -1.7428 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3757 -2.4798 -0.8885 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0306 -1.5871 -1.6976 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7197 -2.8317 -0.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2527 -2.6001 1.5972 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3385 -1.0526 2.4616 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2984 -2.1305 3.0349 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6208 -2.8035 1.3739 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6355 0.1428 2.0948 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0665 -0.9113 1.3856 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8443 0.2293 -0.1506 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3615 -1.4701 -0.4123 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3432 1.5590 -1.2268 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9771 1.2252 -2.2659 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1623 2.5527 -1.1147 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 6 14 19 1 0 19 20 1 6 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 23 25 1 0 25 26 1 0 26 27 2 0 27 28 1 0 17 9 1 0 26 19 1 0 17 12 1 0 28 13 1 0 1 29 1 0 1 30 1 0 1 31 1 0 2 32 1 0 3 33 1 0 3 34 1 0 3 35 1 0 4 36 1 0 4 37 1 0 5 38 1 0 5 39 1 0 6 40 1 0 6 41 1 0 7 42 1 1 8 43 1 0 8 44 1 0 8 45 1 0 9 46 1 1 10 47 1 0 10 48 1 0 11 49 1 0 11 50 1 0 12 51 1 1 15 52 1 0 15 53 1 0 16 54 1 0 16 55 1 0 18 56 1 0 18 57 1 0 18 58 1 0 20 59 1 0 20 60 1 0 20 61 1 0 21 62 1 0 21 63 1 0 22 64 1 0 22 65 1 0 23 66 1 1 24 67 1 0 25 68 1 0 25 69 1 0 27 70 1 0 28 71 1 0 28 72 1 0 M END