HMDB0000221 RDKit 3D NADPH 78 82 0 0 0 0 0 0 0 0999 V2000 10.1531 -2.1020 -0.4812 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1001 -1.1643 -0.6005 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9539 -0.5546 -1.7315 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1501 -0.8062 0.4424 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2252 0.0995 0.1731 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2348 0.5512 1.0736 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2911 1.5427 0.6642 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0501 1.1819 0.3037 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1785 0.8138 -1.1037 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8065 -0.6473 -1.0841 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3865 -0.5750 -1.0877 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5980 -1.2660 0.1915 P 0 0 0 0 0 5 0 0 0 0 0 0 2.3512 -2.1442 1.1009 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2847 0.1730 1.2695 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0607 -1.6994 -0.2588 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4111 -0.6237 -1.5097 P 0 0 0 0 0 5 0 0 0 0 0 0 0.7549 0.0902 -2.1190 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2334 -1.5689 -2.6665 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5225 0.5286 -0.9701 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0546 0.2020 0.2437 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1379 1.2027 0.6519 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.0830 1.2088 -0.3843 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2450 1.5451 0.2156 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.4398 1.1222 -0.5473 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.5603 1.8463 -0.7184 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4715 1.0709 -1.3783 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.9326 -0.1347 -1.6238 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4513 -1.2487 -2.2478 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7889 -1.3026 -2.7306 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.6369 -2.3115 -2.3303 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.3702 -2.2569 -1.8106 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8854 -1.1677 -1.2060 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.6654 -0.0713 -1.0993 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2652 0.6347 1.4815 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.1070 1.0765 2.4400 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1217 -0.2122 2.8769 P 0 0 0 0 0 5 0 0 0 0 0 0 -7.2442 -0.2208 4.3994 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.6493 -0.0394 2.2360 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4247 -1.6870 2.4592 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8308 0.5240 1.8543 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5088 1.1161 3.0433 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2385 1.5296 -1.6865 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7919 2.5131 -2.6546 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8017 2.3459 -0.5160 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1602 3.5815 -0.4947 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2181 -0.0017 2.3792 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1499 -0.9133 2.6865 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2084 -1.4029 1.7727 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9428 -3.1006 -0.5764 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1030 -1.7171 -0.3185 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2207 0.5437 -0.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1788 2.2489 1.5496 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1902 1.3031 -1.5501 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1576 -1.1651 -0.1913 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1125 -1.1535 -1.9863 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0972 0.8963 0.5856 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8850 -2.1326 -2.1458 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3196 0.2881 1.0949 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5093 -0.7945 0.1972 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7745 2.1551 0.9715 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3599 2.5779 0.5171 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7440 2.8552 -0.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0944 -1.7794 -3.5791 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5784 -0.8200 -2.1831 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7265 -3.1421 -1.9008 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6345 -0.3833 1.0938 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6472 0.2538 1.3127 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7922 -2.1015 1.6694 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5570 -0.5686 1.8419 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3103 0.3631 3.7045 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9223 0.9425 -2.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6384 2.7718 -3.0782 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8579 2.5037 -0.5363 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4094 3.6143 -1.1538 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 0.2764 3.1667 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1654 -1.3786 3.6792 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2239 -1.2033 2.1901 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1061 -2.5314 1.7114 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 12 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 16 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 28 30 1 0 30 31 2 0 31 32 1 0 32 33 2 0 23 34 1 0 34 35 1 0 35 36 1 0 36 37 2 0 36 38 1 0 36 39 1 0 34 40 1 0 40 41 1 0 9 42 1 0 42 43 1 0 42 44 1 0 44 45 1 0 6 46 1 0 46 47 2 0 47 48 1 0 48 4 1 0 44 7 1 0 40 21 1 0 33 24 1 0 33 27 1 0 1 49 1 0 1 50 1 0 5 51 1 0 7 52 1 1 9 53 1 6 10 54 1 0 10 55 1 0 14 56 1 0 18 57 1 0 20 58 1 0 20 59 1 0 21 60 1 1 23 61 1 1 25 62 1 0 29 63 1 0 29 64 1 0 31 65 1 0 34 66 1 6 38 67 1 0 39 68 1 0 40 69 1 1 41 70 1 0 42 71 1 6 43 72 1 0 44 73 1 6 45 74 1 0 46 75 1 0 47 76 1 0 48 77 1 0 48 78 1 0 M END