HMDB0002369 RDKit 3D 9-cis-Retinoic acid 50 50 0 0 0 0 0 0 0 0999 V2000 -2.9590 3.2142 1.8094 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1409 2.2653 0.6613 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1341 1.4348 0.4076 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9297 1.5138 1.2663 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1595 0.8158 1.1915 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3135 0.9340 2.0643 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3274 1.9377 3.2033 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 0.1763 1.8927 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4811 -0.8172 0.8568 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5806 -1.5569 0.7313 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7097 -2.5534 -0.2991 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 -2.8481 -1.2997 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8477 -3.2670 -0.3703 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1150 -4.2994 -1.3508 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3071 -4.6468 -2.2477 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3300 -4.9906 -1.3548 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2057 0.4627 -0.6811 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2702 0.8780 -1.8069 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8355 -0.9597 -0.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6160 0.3419 -1.2211 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3085 1.6397 -1.4293 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3915 2.3457 -0.0779 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1213 3.8963 1.6635 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8832 3.7852 1.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8587 2.5823 2.7295 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9689 2.2565 2.0583 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2220 0.0914 0.4079 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2312 2.5653 2.9718 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6188 1.4052 4.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4256 2.5113 3.2915 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2243 0.3097 2.5957 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6723 -0.9726 0.1735 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3680 -1.3634 1.4458 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1551 -2.6910 -2.3116 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8256 -2.1637 -1.3012 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3602 -3.9194 -1.2937 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6052 -3.0140 0.3927 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1785 -4.6017 -1.7484 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8467 1.6331 -2.4092 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3197 1.2974 -1.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0441 0.0209 -2.4745 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7452 -1.6013 -0.4998 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7163 -1.0768 0.8228 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0165 -1.3067 -0.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1776 -0.2249 -0.4372 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5553 -0.2867 -2.1381 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7662 2.2460 -2.1722 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3358 1.4642 -1.8146 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1688 1.7650 0.4917 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7780 3.3715 -0.2626 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