HMDB0000653 RDKit 3D Cholesterol sulfate 78 81 0 0 0 0 0 0 0 0999 V2000 -8.2314 0.2837 -1.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6092 1.6503 -1.2425 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5014 2.2624 -2.6008 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3053 1.6359 -0.4782 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2802 0.7000 -1.1359 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0523 0.7735 -0.3014 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9041 -0.0900 -0.7794 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4975 0.3312 -2.1706 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7562 0.2003 0.1567 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1626 -0.1382 1.6035 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9132 -0.6388 2.2938 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1469 -0.3575 1.3040 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4236 -1.1273 1.4788 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0305 -0.7867 2.7885 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3594 -0.1418 2.6832 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1598 -0.2392 1.6448 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4627 0.4691 1.6946 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2303 0.4498 0.4192 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5656 0.7400 0.5589 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0481 2.0881 -0.3016 S 0 0 0 0 0 6 0 0 0 0 0 0 7.2906 3.2684 0.2646 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6768 1.9884 -1.7551 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6723 2.4138 -0.1170 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9812 -0.8744 -0.2799 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5369 -0.8312 -0.7357 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6865 -1.0636 0.4950 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8091 -2.5285 0.8583 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2579 -0.7073 0.2851 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6247 -1.2220 -0.9549 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3087 -0.4640 -1.1624 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5748 -0.7118 -0.0048 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0168 -2.1488 -0.0101 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3377 0.3918 -1.2852 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9194 -0.2850 -2.2143 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9808 -0.3373 -0.4066 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3065 2.2789 -0.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6088 2.9229 -2.6262 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4209 2.8905 -2.7807 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5066 1.4828 -3.3747 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8881 2.6535 -0.3723 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5303 1.2736 0.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6941 -0.3371 -1.1444 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2050 1.0226 -2.1694 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3195 0.4121 0.7161 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7053 1.8127 -0.1772 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1676 -1.1473 -0.7911 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2646 0.9972 -2.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3617 -0.5203 -2.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5852 0.9933 -2.1449 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4690 1.2470 0.1207 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5840 0.7553 2.1079 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9198 -0.9300 1.6471 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9462 -1.7171 2.5034 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7567 -0.1036 3.2719 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4005 0.7064 1.2372 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2783 -2.2162 1.4308 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1628 -1.6806 3.4565 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3775 -0.0976 3.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6875 0.4561 3.5378 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0216 0.0330 2.5537 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3309 1.5532 1.9805 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8039 1.2312 -0.2742 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9423 2.0395 0.7772 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6769 -1.0384 -1.1288 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0911 -1.6535 0.5066 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3211 -1.6305 -1.4775 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3170 0.1485 -1.1847 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6064 -3.0190 0.2256 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8981 -3.1196 0.6368 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1461 -2.6697 1.9063 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2221 0.4215 0.2133 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2940 -1.0528 -1.8315 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4377 -2.3174 -0.8946 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6087 0.6000 -1.2688 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1447 -0.8870 -2.0904 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4247 -2.3548 -1.0234 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8378 -2.3673 0.7057 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2061 -2.8712 0.1682 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 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 2 0 20 23 1 0 18 24 1 0 24 25 1 0 25 26 1 0 26 27 1 1 26 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 1 31 9 1 0 31 12 1 0 28 13 1 0 26 16 1 0 1 33 1 0 1 34 1 0 1 35 1 0 2 36 1 0 3 37 1 0 3 38 1 0 3 39 1 0 4 40 1 0 4 41 1 0 5 42 1 0 5 43 1 0 6 44 1 0 6 45 1 0 7 46 1 6 8 47 1 0 8 48 1 0 8 49 1 0 9 50 1 1 10 51 1 0 10 52 1 0 11 53 1 0 11 54 1 0 12 55 1 6 13 56 1 1 14 57 1 0 14 58 1 0 15 59 1 0 17 60 1 0 17 61 1 0 18 62 1 6 23 63 1 0 24 64 1 0 24 65 1 0 25 66 1 0 25 67 1 0 27 68 1 0 27 69 1 0 27 70 1 0 28 71 1 6 29 72 1 0 29 73 1 0 30 74 1 0 30 75 1 0 32 76 1 0 32 77 1 0 32 78 1 0 M END