HMDB0304613 RDKit 3D Tovophyllin A 64 67 0 0 0 0 0 0 0 0999 V2000 7.8134 0.2100 -1.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2390 -0.6661 -0.0068 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0812 -0.9431 1.2067 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0291 -1.2219 -0.0877 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1076 -1.0294 -1.2216 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8257 -0.4282 -0.8661 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7015 0.9050 -0.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8512 1.6814 -0.6735 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5246 1.5105 -0.2638 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3976 0.6781 -0.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2339 1.1742 0.1089 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8901 0.5131 0.2012 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0633 1.1645 0.5434 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9685 2.6167 0.7882 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2074 3.2425 1.2507 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7839 4.1863 0.5517 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1914 4.6380 -0.7209 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0338 4.8168 1.0224 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2246 0.4764 0.6374 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4159 1.0946 0.9765 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2281 -0.8956 0.3867 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0466 -1.5735 0.0381 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8658 -0.8690 -0.0568 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3180 -1.4730 -0.3927 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3985 -2.6810 -0.6298 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4556 -0.6713 -0.4617 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6714 -1.2272 -0.7939 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8192 -2.5283 -1.0601 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0741 -2.9975 -0.2175 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2646 -3.6241 -0.1066 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5147 -2.9558 0.2536 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5357 -3.1378 -0.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1130 -3.6734 1.4727 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4003 -1.6011 0.4798 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9167 0.1417 -0.9993 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5300 -0.0357 -2.0746 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5721 1.2747 -0.7753 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1304 -0.0930 1.8896 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1275 -1.0927 0.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 -1.8864 1.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6813 -1.8586 0.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9107 -2.0379 -1.6955 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5376 -0.4266 -2.0522 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8188 2.6651 -0.4872 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3949 2.5576 -0.0471 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1404 2.7559 1.5408 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5696 3.0753 -0.1496 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6440 2.9180 2.1863 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1538 4.9937 -0.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1699 3.7973 -1.4566 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7792 5.4632 -1.1735 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3014 4.5296 2.0601 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9754 5.9204 1.0017 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9133 4.5406 0.3984 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2778 0.5784 1.0452 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3875 -3.3622 -1.1315 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2156 -3.5637 -0.4866 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2430 -4.6898 -0.3045 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0516 -2.7415 -1.8069 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8459 -4.1783 -0.9788 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4013 -2.4741 -0.6577 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8900 -3.0171 1.9286 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5605 -4.6223 1.1162 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3272 -3.8424 2.2141 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 2 3 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 2 3 16 17 1 0 16 18 1 0 13 19 1 0 19 20 1 0 19 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 2 0 27 28 1 0 22 29 1 0 29 30 2 0 30 31 1 0 31 32 1 0 31 33 1 0 31 34 1 0 27 6 1 0 26 10 1 0 23 12 1 0 34 21 1 0 1 35 1 0 1 36 1 0 1 37 1 0 3 38 1 0 3 39 1 0 3 40 1 0 4 41 1 0 5 42 1 0 5 43 1 0 8 44 1 0 9 45 1 0 14 46 1 0 14 47 1 0 15 48 1 0 17 49 1 0 17 50 1 0 17 51 1 0 18 52 1 0 18 53 1 0 18 54 1 0 20 55 1 0 28 56 1 0 29 57 1 0 30 58 1 0 32 59 1 0 32 60 1 0 32 61 1 0 33 62 1 0 33 63 1 0 33 64 1 0 M END