HMDB0006216 RDKit 3D 11-cis-Retinol 51 51 0 0 0 0 0 0 0 0999 V2000 -3.7590 2.1943 -1.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8483 0.9923 -0.2433 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7475 0.2860 0.1214 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5055 0.8001 -0.4054 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2846 0.3753 -0.2363 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8377 1.0508 -0.8714 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7496 2.2313 -1.7332 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1003 0.5612 -0.6601 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2082 1.2211 -1.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4485 0.8828 -1.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9452 -0.2191 -0.3733 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1721 -1.0642 0.5177 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2698 -0.4441 -0.4044 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0184 -1.4809 0.2881 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9779 -0.9261 1.1682 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0135 -0.8741 0.9629 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9127 -1.8745 1.1269 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4662 -0.4906 2.3595 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1595 -1.6886 0.3154 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3743 -0.8738 0.0697 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1627 0.5883 0.2627 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3123 1.9445 -2.1246 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1435 2.9504 -0.6236 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7783 2.5429 -1.3558 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6029 1.7071 -1.0662 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1344 -0.4701 0.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2430 2.6493 -1.8974 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3723 3.0606 -1.3128 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1890 1.9066 -2.7325 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0618 -0.3032 -0.0466 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0388 2.1140 -1.9402 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2002 1.5194 -1.7354 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6033 -1.8665 0.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6158 -0.4596 1.3047 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9052 -1.6325 1.1982 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8836 0.2328 -1.0292 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4904 -2.2559 0.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6317 -2.0931 -0.4915 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1000 0.0062 0.8871 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2459 -1.5925 1.9441 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4589 -2.2369 0.2061 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4423 -2.8221 1.5403 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8462 -1.0195 3.1222 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4909 -0.8692 2.5134 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4163 0.5899 2.5557 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4012 -2.4688 1.0744 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7805 -2.2192 -0.5699 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6831 -1.0447 -1.0033 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2508 -1.1876 0.6693 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9609 1.1105 -0.3595 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3944 0.9597 1.2953 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 1 0 3 16 1 0 16 17 1 0 16 18 1 0 16 19 1 0 19 20 1 0 20 21 1 0 21 2 1 0 1 22 1 0 1 23 1 0 1 24 1 0 4 25 1 0 5 26 1 0 7 27 1 0 7 28 1 0 7 29 1 0 8 30 1 0 9 31 1 0 10 32 1 0 12 33 1 0 12 34 1 0 12 35 1 0 13 36 1 0 14 37 1 0 14 38 1 0 15 39 1 0 17 40 1 0 17 41 1 0 17 42 1 0 18 43 1 0 18 44 1 0 18 45 1 0 19 46 1 0 19 47 1 0 20 48 1 0 20 49 1 0 21 50 1 0 21 51 1 0 M END