HMDB0012788 RDKit 3D 4-OH-Retinal 50 50 0 0 0 0 0 0 0 0999 V2000 -2.9290 -2.9824 0.3722 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4849 -1.5855 0.2982 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6441 -0.5698 0.2121 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2178 -0.9445 0.1987 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2782 -0.0436 0.1177 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1482 -0.4803 0.1084 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4190 -1.9208 0.1981 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0488 0.4587 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4656 0.1431 0.0067 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3473 1.1263 -0.0792 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7868 0.7933 -0.0963 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2232 -0.6182 -0.0245 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6753 1.7675 -0.1798 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1136 1.5809 -0.2055 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8528 2.6050 -0.2894 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0647 0.8414 0.1331 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4616 1.7098 1.2307 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5819 1.3808 -1.2128 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5566 1.0587 0.1388 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8387 2.2048 -0.5997 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3171 -0.1236 -0.3998 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9459 -1.3766 0.3237 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3584 -3.2527 -0.5184 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3100 -3.1423 1.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7789 -3.6900 0.4347 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9420 -2.0158 0.2572 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5107 0.9940 0.0587 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8670 -2.2932 1.1165 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4691 -2.2016 0.3139 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9331 -2.4815 -0.6563 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7403 1.5050 -0.0351 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8481 -0.8631 0.0611 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0030 2.1304 -0.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6482 -1.1845 -0.7945 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2979 -0.7577 -0.1718 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8849 -1.0139 0.9762 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2472 2.7888 -0.2322 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6309 0.6461 -0.1597 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8594 1.1413 1.9586 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9895 2.6337 0.8463 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3306 2.1028 1.8484 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4697 1.5160 -1.8933 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0301 2.3163 -1.0944 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9485 0.6217 -1.7071 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8781 1.1972 1.2067 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7136 2.1534 -1.0204 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4111 0.0192 -0.3131 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0959 -0.2627 -1.4778 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4107 -2.2290 -0.2225 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2926 -1.4028 1.3724 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 3 16 1 0 16 17 1 0 16 18 1 0 16 19 1 0 19 20 1 0 19 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 14 38 1 0 17 39 1 0 17 40 1 0 17 41 1 0 18 42 1 0 18 43 1 0 18 44 1 0 19 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