HMDB0033757 RDKit 3D Marcanine A 27 29 0 0 0 0 0 0 0 0999 V2000 -2.3980 2.2467 0.6381 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2638 0.8717 0.1135 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3696 0.1316 -0.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1521 -1.1413 -0.7633 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1922 -1.7840 -1.1191 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9467 -1.7149 -0.8668 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8609 -1.0243 -0.4876 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0327 0.2532 -0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1670 0.9818 0.4005 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0739 2.1689 0.8557 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4700 0.3367 0.2787 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6009 1.0308 0.6638 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8537 0.4639 0.5677 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0353 -0.8151 0.0854 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8883 -1.4961 -0.2962 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6330 -0.9362 -0.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4325 -1.6783 -0.6138 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5793 -2.8431 -1.0549 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4944 2.4983 0.6207 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1033 2.2769 1.6885 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9237 3.0137 -0.0048 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3598 0.5731 -0.2135 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8563 -2.7035 -1.2446 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4606 2.0435 1.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7241 1.0086 0.8681 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0225 -1.2624 0.0094 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0124 -2.5004 -0.6767 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 4 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 8 2 1 0 16 11 1 0 17 7 1 0 1 19 1 0 1 20 1 0 1 21 1 0 3 22 1 0 6 23 1 0 12 24 1 0 13 25 1 0 14 26 1 0 15 27 1 0 M END