HMDB0253523 RDKit 3D Iodocholesterol 74 77 0 0 0 0 0 0 0 0999 V2000 7.2346 0.7657 1.3229 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1727 0.6941 0.2493 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5993 1.7343 -0.8108 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8690 1.1217 0.8845 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6949 1.1002 -0.0458 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2580 -0.1423 -0.6438 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7478 -1.2932 0.0643 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7813 -1.8376 1.0363 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4421 -1.3135 0.7141 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1212 -0.3651 1.7935 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3475 -0.7530 2.0791 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8348 -1.5241 0.9188 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2389 -1.3603 0.4805 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1279 -1.2383 1.6644 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4852 -0.8367 1.2696 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8008 -0.1930 0.1676 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2180 0.1504 -0.1042 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3570 1.5594 -0.6354 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2909 2.2080 0.2140 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1168 2.3559 -0.6367 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8290 1.7045 -0.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7746 0.2058 -0.8224 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2963 -0.3347 -2.1787 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9740 0.1251 -3.7557 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.4243 -0.3435 -0.6097 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3573 0.7511 -0.5213 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0193 0.1388 -0.7673 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2119 -1.2038 -0.1664 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2235 -2.3360 -1.1846 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8005 0.7407 2.3465 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9358 -0.0973 1.2603 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8475 1.6850 1.2618 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1629 -0.2466 -0.2796 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6273 1.4933 -1.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5323 2.7322 -0.3757 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9529 1.6131 -1.7209 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7089 0.7070 1.8765 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0263 2.2344 1.0886 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9231 1.7350 0.4369 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0344 1.7686 -0.9078 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1866 -0.5428 -1.1999 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6199 0.1061 -1.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7039 -2.1342 -0.7084 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7975 -1.8563 0.6693 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6227 -1.3730 2.0359 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5497 -2.9375 1.2502 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3291 -2.3466 1.1793 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0898 0.6934 1.5489 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6525 -0.5761 2.7601 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8998 0.1360 2.3792 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3948 -1.4252 2.9904 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6324 -2.6216 1.1199 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5366 -2.3489 -0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2189 -2.2756 2.1174 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7346 -0.6412 2.5101 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2919 -1.1116 1.9805 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8707 -0.0351 0.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6045 -0.5692 -0.8855 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9125 1.5475 -1.6198 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8486 2.5609 1.0144 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0782 2.9565 0.3244 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2586 3.1746 -1.4081 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4529 1.9571 -1.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0726 2.1556 -0.2525 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3028 -1.4600 -2.0659 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3221 -0.0464 -2.3787 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1030 -0.8502 -1.5817 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3894 1.3362 0.3898 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5469 1.4314 -1.3742 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1573 0.0518 -1.8645 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7114 0.9322 -0.4262 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4184 -1.8990 -2.1779 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8053 -2.7763 -1.1721 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9844 -3.1172 -0.9433 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 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 22 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 28 9 1 0 28 12 1 0 25 13 1 0 22 16 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 0 6 42 1 0 7 43 1 0 8 44 1 0 8 45 1 0 8 46 1 0 9 47 1 0 10 48 1 0 10 49 1 0 11 50 1 0 11 51 1 0 12 52 1 0 13 53 1 0 14 54 1 0 14 55 1 0 15 56 1 0 17 57 1 0 17 58 1 0 18 59 1 0 19 60 1 0 20 61 1 0 20 62 1 0 21 63 1 0 21 64 1 0 23 65 1 0 23 66 1 0 25 67 1 0 26 68 1 0 26 69 1 0 27 70 1 0 27 71 1 0 29 72 1 0 29 73 1 0 29 74 1 0 M END