HMDB0003822 RDKit 3D Cholesteryl acetate 79 82 0 0 0 0 0 0 0 0999 V2000 8.8478 -0.4558 1.6352 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1381 -0.3870 0.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8066 -0.2112 -0.7119 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7650 -0.5117 0.2502 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1772 -0.4305 -1.0533 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3773 -1.6400 -1.3861 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8833 -1.4240 -1.4506 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4047 -0.7044 -0.2049 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7026 -1.5492 1.0024 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1081 0.6016 -0.2038 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6313 1.5661 0.5451 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4093 1.4001 1.3961 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4113 0.4250 0.8387 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9610 -0.3737 -0.3530 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0591 -1.5687 -0.4764 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3148 -1.0918 -0.7971 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8918 -0.0882 0.1329 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3232 -0.6471 1.4374 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1758 1.0183 0.3505 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5984 1.9658 1.1706 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9576 1.9800 0.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8777 0.8434 -0.5354 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.1279 0.2881 -1.0859 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.9142 1.4284 -1.6863 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9189 -0.5639 -0.1983 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1633 -1.1506 -0.7377 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3135 -0.3011 -1.0963 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8750 0.4772 0.0823 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0427 1.3307 -0.3572 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4744 -0.5365 1.0762 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2997 0.7812 -1.0332 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2620 0.5382 1.9019 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6873 -1.2042 1.5444 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1605 -0.7554 2.4553 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9789 -0.2701 -1.8339 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6248 -2.5063 -0.7303 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6801 -1.9938 -2.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6654 -0.8204 -2.3585 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4071 -2.4058 -1.5403 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7831 -1.7846 1.5826 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1559 -2.5134 0.7007 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4410 -1.0130 1.6243 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1343 2.5490 0.5653 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7692 1.1231 2.4069 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9088 2.3885 1.4556 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2952 -0.3708 1.6341 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8332 0.2448 -1.2633 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3899 -2.2406 -1.2872 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1300 -2.1481 0.4628 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2681 -0.6398 -1.8217 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0577 -1.9237 -0.8816 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5456 -0.3702 2.2241 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2480 -0.2025 1.8729 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3987 -1.7302 1.5193 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3361 1.4774 -0.6487 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8012 1.6531 2.2066 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1648 2.9832 1.2222 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7985 1.9385 1.1301 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0013 2.9725 -0.0666 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2603 1.2640 -1.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8909 -0.3642 -2.0161 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6638 1.8820 -1.0565 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1192 2.2540 -1.8682 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2552 1.2477 -2.7264 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2439 0.0872 0.6879 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3341 -1.4370 0.2175 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9283 -1.8430 -1.6305 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5882 -1.9392 -0.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1641 -1.0329 -1.3704 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1418 0.3379 -1.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1165 1.0886 0.5801 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8088 0.7165 -0.8646 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5174 1.7290 0.5805 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7233 2.1716 -1.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1353 -1.2013 0.4823 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6340 -1.0618 1.5514 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1152 0.0041 1.7931 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8923 1.6507 -0.6742 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0241 1.0004 -2.0891 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 1 8 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 1 17 19 1 0 19 20 1 0 20 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 1 0 27 28 1 0 28 29 1 0 28 30 1 0 10 31 1 0 31 5 1 0 14 8 1 0 22 17 1 0 19 13 1 0 1 32 1 0 1 33 1 0 1 34 1 0 5 35 1 6 6 36 1 0 6 37 1 0 7 38 1 0 7 39 1 0 9 40 1 0 9 41 1 0 9 42 1 0 11 43 1 0 12 44 1 0 12 45 1 0 13 46 1 1 14 47 1 6 15 48 1 0 15 49 1 0 16 50 1 0 16 51 1 0 18 52 1 0 18 53 1 0 18 54 1 0 19 55 1 6 20 56 1 0 20 57 1 0 21 58 1 0 21 59 1 0 22 60 1 6 23 61 1 6 24 62 1 0 24 63 1 0 24 64 1 0 25 65 1 0 25 66 1 0 26 67 1 0 26 68 1 0 27 69 1 0 27 70 1 0 28 71 1 0 29 72 1 0 29 73 1 0 29 74 1 0 30 75 1 0 30 76 1 0 30 77 1 0 31 78 1 0 31 79 1 0 M END