HMDB0035196 RDKit 3D Harman 24 26 0 0 0 0 0 0 0 0999 V2000 -3.4526 0.8852 -0.0094 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4391 -0.2004 -0.0144 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7582 -1.5051 -0.0232 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8699 -2.5019 -0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5246 -2.1982 -0.0236 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1423 -0.8747 -0.0146 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0930 0.1227 -0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4062 1.2873 -0.0014 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9214 1.0542 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0439 1.8773 0.0067 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3238 1.3675 0.0057 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5068 0.0009 -0.0026 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4007 -0.8327 -0.0098 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1277 -0.3006 -0.0087 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3125 0.5670 -0.6436 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8038 1.0046 1.0218 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0156 1.8133 -0.4431 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1688 -3.5578 -0.0352 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2558 -2.9451 -0.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8152 2.2471 0.0039 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9148 2.9438 0.0132 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2081 2.0181 0.0114 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5225 -0.3866 -0.0032 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5760 -1.8857 -0.0161 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 5 6 1 0 6 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 7 2 1 0 14 9 1 0 14 6 1 0 1 15 1 0 1 16 1 0 1 17 1 0 4 18 1 0 5 19 1 0 8 20 1 0 10 21 1 0 11 22 1 0 12 23 1 0 13 24 1 0 M END