HMDB0033311 RDKit 3D Moracin I 44 46 0 0 0 0 0 0 0 0999 V2000 -3.7514 2.7622 0.1351 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8085 1.7255 -0.1211 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5199 1.8673 0.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1881 2.9848 1.1093 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0997 3.0999 1.6042 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4903 4.2204 2.3466 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9836 2.1125 1.3617 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6610 0.9594 0.6239 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7173 -0.0423 0.4112 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6795 -1.3240 -0.0435 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0088 -1.7770 -0.0212 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6149 -2.9647 -0.3557 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9967 -3.1333 -0.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7858 -2.1073 0.2426 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1770 -2.2871 0.3700 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1799 -0.9239 0.5755 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7921 -0.7527 0.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9973 0.2444 0.6876 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5989 0.8260 0.1258 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0164 -0.3171 -0.6954 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3208 -0.0147 -1.4071 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3645 -0.7691 -1.1228 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2810 -1.8723 -0.1498 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6564 -0.4959 -1.7991 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8643 2.8875 1.2499 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7046 2.4661 -0.3421 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4207 3.7352 -0.2855 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9220 3.7709 1.2923 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3817 4.2237 3.3457 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9833 2.1918 1.7427 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8386 -1.9201 -0.3458 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9746 -3.7565 -0.7212 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4658 -4.0855 -0.4963 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5280 -2.6492 1.2708 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7871 -0.1121 0.9437 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3258 -0.5202 -1.5389 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2181 -1.1894 -0.0787 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3494 0.7950 -2.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5608 -2.6642 -0.4405 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0057 -1.4720 0.8362 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2845 -2.3678 -0.0418 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0095 -1.4350 -2.2963 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5693 0.3598 -2.4942 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4023 -0.2791 -0.9833 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 5 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 14 16 1 0 16 17 2 0 17 18 1 0 8 19 2 0 19 20 1 0 20 21 1 0 21 22 2 3 22 23 1 0 22 24 1 0 19 3 1 0 18 9 1 0 17 11 1 0 1 25 1 0 1 26 1 0 1 27 1 0 4 28 1 0 6 29 1 0 7 30 1 0 10 31 1 0 12 32 1 0 13 33 1 0 15 34 1 0 16 35 1 0 20 36 1 0 20 37 1 0 21 38 1 0 23 39 1 0 23 40 1 0 23 41 1 0 24 42 1 0 24 43 1 0 24 44 1 0 M END