HMDB0004035 RDKit 3D 22b-Hydroxycholesterol 75 78 0 0 0 0 0 0 0 0999 V2000 6.4698 2.1643 -1.8337 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9901 0.8651 -1.2272 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0444 -0.2221 -1.3132 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6854 1.1800 0.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1973 -0.0214 0.9691 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9384 -0.6709 0.5168 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8854 -1.8353 1.3969 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6705 0.1108 0.8049 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6378 1.4421 0.1742 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4568 -0.7184 0.5574 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3819 -1.9373 1.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1024 -2.1384 1.7779 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7489 -1.3921 0.7125 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1417 -0.9073 0.9321 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0501 -1.8531 1.5995 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4416 -1.6803 1.1223 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8716 -0.8495 0.2067 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3176 -0.8285 -0.1318 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7627 0.3599 -0.9073 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.1999 1.4031 -0.0623 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8275 0.8395 -1.9588 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4544 0.1705 -1.9161 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9170 0.0846 -0.5222 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.8986 1.3862 0.2012 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6240 -0.6730 -0.5140 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5328 -0.1801 -1.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3768 0.5049 -0.6989 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1203 -0.1230 0.5704 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1630 0.7987 1.7205 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8462 2.8361 -1.0619 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6207 2.6448 -2.3987 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2212 1.9141 -2.6114 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0490 0.4956 -1.6617 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5036 -1.1914 -1.2576 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5406 -0.1541 -2.3072 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7680 -0.1747 -0.4795 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7367 1.3686 0.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1110 2.0847 0.2587 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0649 -0.7621 0.9115 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1776 0.1562 2.1025 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0339 -0.9902 -0.5272 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6444 -2.3803 1.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7675 0.3334 1.9318 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9821 2.2717 0.8571 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0960 1.4621 -0.8206 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5735 1.8067 -0.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5748 -1.1708 -0.4819 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9002 -1.8245 2.4235 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7421 -2.8640 0.9851 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3671 -3.2328 1.6646 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3503 -1.8917 2.8207 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6308 -1.9441 -0.2441 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2209 0.0840 1.4319 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7241 -2.9162 1.5664 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0878 -1.5660 2.6965 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2237 -2.3194 1.5815 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9038 -0.8888 0.8141 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6080 -1.7569 -0.7058 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7172 0.0470 -1.4377 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2389 2.2142 -0.6503 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6922 1.9565 -1.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2069 0.6009 -2.9976 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5861 -0.8713 -2.2858 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8348 0.7020 -2.6351 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2848 1.2903 1.2353 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9028 1.8511 0.2815 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5903 2.1340 -0.2951 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8938 -1.7164 -0.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0799 -1.0205 -1.9818 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8621 0.5347 -2.1825 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4232 0.5263 -1.4972 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6805 1.5576 -0.5574 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7350 1.3066 2.1301 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8543 1.6010 1.4206 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6190 0.2958 2.6091 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 6 8 1 0 8 9 1 0 8 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 2 0 17 18 1 0 18 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 1 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 1 28 10 1 0 28 13 1 0 25 14 1 0 23 17 1 0 1 30 1 0 1 31 1 0 1 32 1 0 2 33 1 0 3 34 1 0 3 35 1 0 3 36 1 0 4 37 1 0 4 38 1 0 5 39 1 0 5 40 1 0 6 41 1 6 7 42 1 0 8 43 1 1 9 44 1 0 9 45 1 0 9 46 1 0 10 47 1 6 11 48 1 0 11 49 1 0 12 50 1 0 12 51 1 0 13 52 1 6 14 53 1 1 15 54 1 0 15 55 1 0 16 56 1 0 18 57 1 0 18 58 1 0 19 59 1 6 20 60 1 0 21 61 1 0 21 62 1 0 22 63 1 0 22 64 1 0 24 65 1 0 24 66 1 0 24 67 1 0 25 68 1 6 26 69 1 0 26 70 1 0 27 71 1 0 27 72 1 0 29 73 1 0 29 74 1 0 29 75 1 0 M END