HMDB0000870 RDKit 3D Histamine 17 17 0 0 0 0 0 0 0 0999 V2000 -2.9568 -0.4732 -0.3723 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5252 -0.6604 -0.3978 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8874 0.6814 -0.1322 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6031 0.5068 -0.1549 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3117 -0.6449 -0.3735 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6061 -0.3157 -0.2997 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7572 0.9939 -0.0439 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5137 1.4928 0.0437 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4195 -1.0322 0.3628 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2418 0.5204 -0.2408 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1874 -1.4115 0.3436 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1587 -1.0044 -1.3875 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1475 1.3595 -0.9559 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2225 1.1453 0.8016 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8595 -1.6177 -0.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3764 -1.0199 -0.4308 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7190 1.4799 0.0578 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 2 0 8 4 1 0 1 9 1 0 1 10 1 0 2 11 1 0 2 12 1 0 3 13 1 0 3 14 1 0 5 15 1 0 6 16 1 0 7 17 1 0 M END