HMDB0060132 RDKit 3D 27alpha-Hydroxy-8-dehydrocholesterol 73 76 0 0 0 0 0 0 0 0999 V2000 7.3963 -0.7865 -0.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8319 0.5746 0.1220 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1424 1.4724 -1.0377 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6323 2.7590 -0.8500 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3342 0.5511 0.4485 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6244 -0.0439 -0.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1421 -0.1412 -0.6786 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4866 -0.9521 0.3994 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7156 -0.4977 1.7756 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1427 -1.3900 0.0053 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5659 -2.2134 1.1753 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6572 -1.4879 1.6554 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6312 -0.1893 0.9274 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9637 0.4159 0.7295 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7485 0.0644 -0.2725 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2802 -0.8679 -1.2979 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9668 -1.4725 -1.0936 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 -0.5343 -0.3640 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2081 0.6142 -1.2835 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1085 0.6203 -0.3568 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.0100 2.0927 -0.7827 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9913 -0.0534 -1.3659 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4403 0.3538 -1.0548 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7978 -0.4063 0.2047 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.1549 -0.4629 0.4320 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0724 0.2046 1.3482 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6990 0.6195 1.0097 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8775 1.0393 1.9817 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4738 1.4712 1.6859 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4828 -0.7597 0.1585 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3951 -1.0373 -1.2136 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9247 -1.5759 0.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3628 0.9986 1.0169 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8385 1.0107 -1.9829 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2550 1.6154 -1.1127 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2557 3.2646 -0.2694 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2924 -0.0822 1.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0504 1.5669 0.7287 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9953 -1.1227 -0.7725 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9044 0.4816 -1.6537 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8824 -0.5752 -1.7044 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6814 0.8930 -0.7274 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0987 -1.9456 0.3625 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0909 0.5444 1.7627 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8100 -0.4392 2.4242 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5037 -1.1020 2.2999 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2857 -2.1614 -0.8227 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3075 -2.3383 1.9689 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2402 -3.2213 0.8398 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5794 -2.0800 1.4719 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6431 -1.3531 2.7754 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0577 0.5418 1.5357 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0362 -1.7040 -1.3691 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3631 -0.3416 -2.2928 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4777 -1.6720 -2.0713 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0083 -2.4512 -0.5719 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8356 0.4805 -2.1586 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8038 0.8929 -1.7442 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4197 1.5313 -0.6754 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3995 2.7741 -0.0167 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9406 2.3368 -1.0548 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5825 2.2974 -1.7108 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9849 -1.1374 -1.3505 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7766 0.2930 -2.3935 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0738 0.0570 -1.9011 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4815 1.4525 -0.8565 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3774 -1.4435 0.0588 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3939 -1.3967 0.6374 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1117 -0.5109 2.2035 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6720 1.0925 1.7037 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2434 1.0653 3.0094 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8938 1.4316 2.6226 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4028 2.4756 1.2796 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 2 5 1 0 5 6 1 0 6 7 1 0 7 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 2 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 6 15 20 1 0 20 21 1 6 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 24 26 1 0 26 27 1 0 27 28 2 0 28 29 1 0 18 10 1 0 27 20 1 0 18 13 1 0 29 14 1 0 1 30 1 0 1 31 1 0 1 32 1 0 2 33 1 1 3 34 1 0 3 35 1 0 4 36 1 0 5 37 1 0 5 38 1 0 6 39 1 0 6 40 1 0 7 41 1 0 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 1 16 53 1 0 16 54 1 0 17 55 1 0 17 56 1 0 19 57 1 0 19 58 1 0 19 59 1 0 21 60 1 0 21 61 1 0 21 62 1 0 22 63 1 0 22 64 1 0 23 65 1 0 23 66 1 0 24 67 1 6 25 68 1 0 26 69 1 0 26 70 1 0 28 71 1 0 29 72 1 0 29 73 1 0 M END