HMDB0062447 RDKit 3D anhydroretinol 48 48 0 0 0 0 0 0 0 0999 V2000 7.9313 -0.6861 0.7778 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7029 -0.7928 1.1646 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5595 -0.4206 0.3504 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7768 0.1110 -1.0185 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3129 -0.5561 0.8175 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1960 -0.1724 -0.0262 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9455 -0.2822 0.3738 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8511 0.1043 -0.4804 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0370 0.6273 -1.8348 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4280 -0.0046 -0.0705 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5631 0.3667 -0.8795 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8129 0.2505 -0.4605 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9275 0.6552 -1.3533 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7005 0.7271 -2.8154 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1221 0.9549 -0.8817 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3240 0.8737 0.5928 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5930 -0.3545 1.0877 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0949 -0.2810 0.8882 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6168 -1.7331 1.0377 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5254 0.6100 1.9684 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7110 -0.9979 1.4769 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2482 -0.3214 -0.1563 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4523 -1.1879 2.1735 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7966 0.0410 -1.3554 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1687 -0.4823 -1.7608 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4303 1.1659 -1.0872 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1774 -0.9442 1.8013 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4347 0.2216 -1.0178 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7982 -0.6774 1.3747 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6515 1.6851 -1.9326 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3173 0.0423 -2.4899 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0062 0.4959 -2.2993 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5347 -0.3951 0.9245 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4554 0.7725 -1.8978 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6067 0.6034 -3.4053 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2925 1.7497 -3.0418 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9881 -0.0714 -3.1388 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9625 1.2554 -1.4874 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3833 0.7154 0.7838 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8758 1.7523 1.0604 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9494 -1.2779 0.6014 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8290 -0.4526 2.1694 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4986 -2.4425 1.0331 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0838 -1.9713 0.0862 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0454 -1.9067 1.9479 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9810 0.0698 2.7538 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3808 1.1302 2.4691 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9300 1.4308 1.5088 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 3 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 8 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 13 15 2 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 18 20 1 0 18 12 1 0 1 21 1 0 1 22 1 0 2 23 1 0 4 24 1 0 4 25 1 0 4 26 1 0 5 27 1 0 6 28 1 0 7 29 1 0 9 30 1 0 9 31 1 0 9 32 1 0 10 33 1 0 11 34 1 0 14 35 1 0 14 36 1 0 14 37 1 0 15 38 1 0 16 39 1 0 16 40 1 0 17 41 1 0 17 42 1 0 19 43 1 0 19 44 1 0 19 45 1 0 20 46 1 0 20 47 1 0 20 48 1 0 M END