HMDB0013117 RDKit 3D Vitamin A2 49 49 0 0 0 0 0 0 0 0999 V2000 -3.2418 2.7360 2.1332 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9362 1.5488 1.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2369 0.6117 0.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7985 0.8457 0.7914 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9458 0.0536 0.1877 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5034 0.3938 0.1523 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9231 1.6276 0.8181 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3101 -0.4230 -0.4613 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7389 -0.1522 -0.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5446 -1.0015 -1.1664 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9640 -0.8821 -1.3277 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7710 0.2386 -0.7968 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6295 -1.8330 -1.9967 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0908 -1.7490 -2.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6720 -2.8729 -1.5971 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8308 -0.5965 0.2862 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1799 -1.8460 0.8827 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5499 -0.5436 -1.2096 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3226 -0.7094 0.4287 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9795 0.3633 1.1659 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3644 1.4001 1.6838 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9959 3.3858 2.6164 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7242 3.3412 1.3832 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5162 2.4388 2.9144 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3577 1.7592 1.2532 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2743 -0.8546 -0.2939 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9936 1.8118 0.8964 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4039 2.5365 0.3778 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5532 1.6405 1.8854 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8958 -1.3326 -0.9301 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1959 0.7140 -0.1023 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0403 -1.8793 -1.6009 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1208 0.9280 -0.2361 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5657 -0.1763 -0.1216 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2634 0.7978 -1.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0477 -2.6483 -2.3821 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3535 -1.7643 -3.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4992 -0.7980 -1.8009 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3435 -2.5810 -0.9276 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8658 -2.5137 0.0835 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9793 -2.3723 1.4616 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4170 -1.5608 1.6008 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1119 -1.4691 -1.6038 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5460 -0.3430 -1.7121 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9001 0.3168 -1.4638 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5460 -1.6669 0.9899 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8310 -0.8294 -0.5736 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0652 0.2723 1.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9071 2.1754 2.2267 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 2 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 21 49 1 0 M END