HMDB0015052 RDKit 3D Metronidazole 21 21 0 0 0 0 0 0 0 0999 V2000 -1.4378 -1.8268 0.7955 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3297 -0.4085 0.3703 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2214 0.5233 0.6474 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8183 1.6650 0.1227 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5998 1.4094 -0.5161 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1449 2.3885 -1.1965 N 0 0 0 0 0 4 0 0 0 0 0 0 1.2129 2.0892 -1.7368 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2942 3.6703 -1.2703 O 0 0 0 0 0 1 0 0 0 0 0 0 -0.3260 0.1080 -0.3418 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8149 -0.5838 -0.8246 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9760 -0.5748 0.1463 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6527 -1.1647 1.3443 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0803 -1.8917 1.8405 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9242 -2.5274 0.1084 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5286 -2.1018 0.7294 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3532 2.5983 0.1933 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1847 -0.2437 -1.8171 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5716 -1.6774 -0.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4317 0.4320 0.2585 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7765 -1.2046 -0.3265 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1477 -0.6789 2.0632 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 6 8 1 0 5 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 9 2 1 0 1 13 1 0 1 14 1 0 1 15 1 0 4 16 1 0 10 17 1 0 10 18 1 0 11 19 1 0 11 20 1 0 12 21 1 0 M CHG 2 6 1 8 -1 M END