HMDB0006219 RDKit 3D 13-cis-Retinoic acid 50 50 0 0 0 0 0 0 0 0999 V2000 -2.3258 -2.2848 -0.3377 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2272 -1.1114 -0.2271 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7200 0.0863 -0.0599 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3446 0.2654 0.0105 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1349 0.4231 0.0724 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0663 -0.3302 -0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0973 -1.7830 -0.3225 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2584 0.2851 0.1507 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4951 -0.4442 0.0812 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6599 0.2438 0.2463 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9053 -0.4541 0.1832 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9452 -1.9446 -0.0656 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0399 0.1806 0.3405 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1979 1.5890 0.5864 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4084 2.0211 0.7126 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2214 2.5508 0.7064 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7295 1.2305 0.1105 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1108 2.5659 -0.0903 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3611 1.1702 1.4828 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8382 1.0416 -0.9000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5473 -0.2623 -0.6847 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6649 -1.3862 -0.3222 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9627 -2.4444 -1.3617 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5599 -2.3113 0.4294 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9642 -3.2002 -0.1311 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4202 1.4792 -0.7009 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0332 1.5230 0.4879 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2928 -1.9043 -1.1135 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0421 -2.0576 -0.8358 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8201 -2.4286 0.5186 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2266 1.3588 0.3285 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6386 -1.4903 -0.0782 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5689 1.2841 0.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9746 -2.2533 -0.2462 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5774 -2.4602 0.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3337 -2.2251 -0.9331 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9638 -0.4259 0.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9643 3.1893 -0.0308 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2377 2.7926 0.5594 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8488 3.3879 0.1775 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8546 2.7844 -1.1434 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1602 2.1304 2.0434 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4666 1.0893 1.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0077 0.2949 2.0801 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4635 1.0647 -1.9392 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5621 1.8682 -0.7223 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0910 -0.4634 -1.6408 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3404 -0.1762 0.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9995 -1.8914 0.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7876 -2.1671 -1.1544 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 2 0 14 16 1 0 3 17 1 0 17 18 1 0 17 19 1 0 17 20 1 0 20 21 1 0 21 22 1 0 22 2 1 0 1 23 1 0 1 24 1 0 1 25 1 0 4 26 1 0 5 27 1 0 7 28 1 0 7 29 1 0 7 30 1 0 8 31 1 0 9 32 1 0 10 33 1 0 12 34 1 0 12 35 1 0 12 36 1 0 13 37 1 0 16 38 1 0 18 39 1 0 18 40 1 0 18 41 1 0 19 42 1 0 19 43 1 0 19 44 1 0 20 45 1 0 20 46 1 0 21 47 1 0 21 48 1 0 22 49 1 0 22 50 1 0 M END