HMDB0014602 RDKit 3D Acitretin 50 50 0 0 0 0 0 0 0 0999 V2000 -7.5563 -0.7913 -0.3881 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7567 0.1841 0.1999 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3713 0.0992 0.1583 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6780 -0.8893 -0.4263 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3061 -0.9908 -0.4743 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6296 -2.1571 -1.1069 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5697 0.0395 0.1497 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1744 -0.0230 0.0616 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0501 -0.2355 -0.2246 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2659 -0.4847 -0.5602 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7281 -1.2612 -1.7406 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2739 0.0573 0.1756 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6563 -0.2137 -0.2134 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6671 0.2871 0.4898 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0589 0.0896 0.1973 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4536 -0.6083 -1.0541 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0062 0.6240 0.9783 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4171 0.4592 0.7513 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9533 -0.1861 -0.1481 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2919 1.1023 1.6446 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2925 1.0881 0.7717 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5034 2.1762 1.3994 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6534 1.1369 0.7867 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4335 2.2240 1.4092 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2800 -1.0464 -1.4295 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6379 -0.5176 -0.3879 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4387 -1.7581 0.1983 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2350 -1.6999 -0.9309 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4231 -2.9538 -1.1396 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4379 -1.9095 -2.1593 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7626 -2.5235 -0.5268 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8364 0.4642 1.2704 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4853 -0.8365 -1.4464 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9146 -1.6938 -2.3376 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2727 -0.5609 -2.4406 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4463 -2.0178 -1.4038 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0190 0.6652 1.0093 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9119 -0.8122 -1.0684 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3696 0.9087 1.3715 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6235 -0.4742 -1.8076 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5988 -1.6609 -0.8793 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3133 -0.1216 -1.5785 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6322 1.2308 1.8225 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6334 0.5139 2.4084 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5055 2.1471 2.4967 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4756 2.2561 0.9953 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9748 3.1634 1.1031 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7907 2.9596 1.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0578 2.7571 0.6329 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1912 1.7940 2.1107 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 5 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 10 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 15 17 2 0 17 18 1 0 18 19 2 0 18 20 1 0 7 21 1 0 21 22 1 0 21 23 2 0 23 24 1 0 23 3 1 0 1 25 1 0 1 26 1 0 1 27 1 0 4 28 1 0 6 29 1 0 6 30 1 0 6 31 1 0 8 32 1 0 9 33 1 0 11 34 1 0 11 35 1 0 11 36 1 0 12 37 1 0 13 38 1 0 14 39 1 0 16 40 1 0 16 41 1 0 16 42 1 0 17 43 1 0 20 44 1 0 22 45 1 0 22 46 1 0 22 47 1 0 24 48 1 0 24 49 1 0 24 50 1 0 M END