HMDB0000501 RDKit 3D 7-Ketocholesterol 73 76 0 0 0 0 0 0 0 0999 V2000 7.0101 -0.1758 0.4335 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6926 -1.2285 -0.5562 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7560 -2.3355 -0.4388 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3372 -1.8441 -0.5241 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1723 -0.9630 -0.7773 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9549 0.1580 0.1358 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6788 0.9650 -0.1889 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7499 1.5213 -1.5544 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5321 0.1522 0.2041 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6541 -0.1249 1.7092 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2458 -0.0985 2.2638 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5670 -0.1413 1.0508 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9755 0.3165 1.1277 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7479 -0.2513 2.2379 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2381 -0.8705 3.2085 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1938 -0.0802 2.2017 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7897 -0.0148 1.0454 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2588 0.1588 1.0055 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9164 -0.7796 0.0597 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0995 -0.1527 -0.3962 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1394 -1.1863 -1.1316 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6646 -1.3535 -0.9103 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0680 -0.1075 -0.2217 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.5301 1.0465 -1.0949 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5908 -0.2259 -0.1507 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8708 0.2862 -1.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4577 0.6069 -1.2606 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1666 0.7733 0.0868 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0990 2.1922 0.5649 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0611 -0.4050 0.8451 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1071 0.8630 0.0125 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3625 -0.2585 1.3091 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8351 -0.7810 -1.6042 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7041 -1.8246 -0.1866 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8313 -2.9082 -1.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4041 -2.9974 0.3815 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2211 -2.3057 0.5056 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3689 -2.7070 -1.2674 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2620 -1.6585 -0.7728 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2285 -0.6748 -1.8602 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9750 -0.1834 1.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8292 0.8703 0.0274 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7544 1.8413 0.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5726 0.7690 -2.3627 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7799 1.9758 -1.6706 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0550 2.3397 -1.7319 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4950 -0.7912 -0.3774 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0288 -1.1607 1.8061 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3098 0.6238 2.1921 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0717 0.7469 2.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0561 -1.0195 2.8828 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4932 -1.1687 0.6016 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1004 1.4103 1.0908 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7658 -0.0084 3.1542 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5416 1.2294 0.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6854 -0.0512 2.0318 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2851 -1.6853 0.6174 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8768 0.3002 -1.2666 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2992 -0.5043 -2.0187 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5248 -2.1733 -1.4736 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1873 -1.5220 -1.8901 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5027 -2.2564 -0.2978 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3887 0.7960 -2.1859 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1067 2.0086 -0.8111 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6314 1.1145 -0.9745 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3595 -1.3348 -0.1037 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0494 -0.4438 -2.1864 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4563 1.1968 -1.6922 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1684 -0.1736 -1.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2400 1.5458 -1.8359 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1338 2.2971 1.6409 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9705 2.8059 0.3542 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7654 2.6914 0.0348 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 2 0 14 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 6 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 1 28 9 1 0 28 12 1 0 25 13 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 0 6 42 1 0 7 43 1 1 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 6 13 53 1 6 16 54 1 0 18 55 1 0 18 56 1 0 19 57 1 0 20 58 1 0 21 59 1 0 21 60 1 0 22 61 1 0 22 62 1 0 24 63 1 0 24 64 1 0 24 65 1 0 25 66 1 1 26 67 1 0 26 68 1 0 27 69 1 0 27 70 1 0 29 71 1 0 29 72 1 0 29 73 1 0 M END