HMDB0000305 RDKit 3D Vitamin A 51 51 0 0 0 0 0 0 0 0999 V2000 -3.5592 -2.4974 -1.4233 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0570 -1.3113 -0.6449 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1723 -0.4485 -0.1382 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7452 -0.7661 -0.4112 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7322 -0.0504 -0.0129 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6669 -0.4566 -0.3383 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8931 -1.6940 -1.1105 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6175 0.3254 0.0995 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0379 0.0090 -0.1723 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9904 0.8100 0.2792 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4142 0.6094 0.0796 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9883 -0.5182 -0.6572 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2060 1.5209 0.6091 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6689 1.4803 0.5078 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1510 0.4010 -0.1926 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5390 0.7400 0.6536 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8691 0.5617 2.0163 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0348 2.0075 -0.0265 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0162 0.8503 0.8135 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7324 0.3804 -0.3989 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5365 -1.1460 -0.4915 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0159 -3.2035 -0.7892 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4416 -3.0174 -1.8362 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9618 -2.1692 -2.2983 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4802 -1.6644 -0.9942 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9094 0.8444 0.5503 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4514 -1.6473 -2.1291 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2875 -2.4991 -0.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9012 -2.0813 -1.1248 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3685 1.2108 0.6648 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3215 -0.8552 -0.7311 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6223 1.6783 0.8416 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1401 -1.1610 -1.0389 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5265 -0.2428 -1.5914 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5732 -1.1840 0.0173 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7539 2.3796 1.1702 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1084 1.5121 1.5393 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0054 2.3894 -0.0718 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0346 0.1503 0.2093 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7007 0.3620 2.7645 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3159 1.4618 2.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2342 -0.3357 2.0753 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9400 2.5887 -0.3605 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4396 2.6450 0.6487 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4871 1.7458 -0.9554 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3657 0.2390 1.6814 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3213 1.9195 0.9836 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8385 0.5286 -0.2925 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3455 0.7999 -1.3325 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9261 -1.6428 0.4038 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0110 -1.5587 -1.3883 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 6 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 11 13 2 0 13 14 1 0 14 15 1 0 3 16 1 0 16 17 1 0 16 18 1 0 16 19 1 0 19 20 1 0 20 21 1 0 21 2 1 0 1 22 1 0 1 23 1 0 1 24 1 0 4 25 1 0 5 26 1 0 7 27 1 0 7 28 1 0 7 29 1 0 8 30 1 0 9 31 1 0 10 32 1 0 12 33 1 0 12 34 1 0 12 35 1 0 13 36 1 0 14 37 1 0 14 38 1 0 15 39 1 0 17 40 1 0 17 41 1 0 17 42 1 0 18 43 1 0 18 44 1 0 18 45 1 0 19 46 1 0 19 47 1 0 20 48 1 0 20 49 1 0 21 50 1 0 21 51 1 0 M END