HMDB0001852 RDKit 3D all-trans-Retinoic acid 50 50 0 0 0 0 0 0 0 0999 V2000 -3.4071 -0.9003 2.7991 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8786 -0.5603 1.4353 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9920 -0.2909 0.5062 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5693 -0.3499 0.9242 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6056 -0.0890 0.1091 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8192 -0.1585 0.5561 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0633 -0.5390 1.9488 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7771 0.1155 -0.3009 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2056 0.0669 0.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1242 0.3523 -0.8337 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5297 0.3230 -0.5326 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0620 -0.0197 0.7851 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3933 0.6216 -1.4953 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8253 0.6405 -1.3657 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3945 0.3627 -0.2810 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5878 0.9837 -2.5032 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3611 0.0206 -0.8698 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6660 -0.9241 -1.8630 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9053 1.4485 -1.1626 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8365 -0.1025 -1.1102 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6379 0.3975 0.0292 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3553 -0.5102 1.2325 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2253 -1.1774 3.4857 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7659 -1.8039 2.7012 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8548 -0.0435 3.2169 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2928 -0.6160 1.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7367 0.2040 -0.9145 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5191 0.1920 2.5944 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5098 -1.5130 2.1261 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0829 -0.7137 2.2555 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5169 0.3857 -1.3133 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5170 -0.1921 1.0581 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7675 0.6226 -1.8619 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7662 -0.8943 0.7462 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6745 0.8391 1.1666 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3516 -0.2498 1.5722 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9688 0.8777 -2.4824 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6232 1.9901 -2.6876 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1943 -0.3192 -2.6526 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0395 -1.6636 -1.3676 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4458 -1.5404 -2.4152 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3295 1.8614 -0.3369 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3592 1.4470 -2.1208 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8018 2.0998 -1.3374 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0428 -1.1947 -1.2164 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1085 0.4104 -2.0596 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7189 0.2973 -0.1807 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3923 1.4254 0.3307 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7974 -0.1021 2.1624 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7594 -1.5169 1.0122 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