HMDB0258202 RDKit 3D Secnidazole 24 24 0 0 0 0 0 0 0 0999 V2000 0.9586 2.4257 -0.5701 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4854 1.0157 -0.4359 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6702 0.6199 -0.8909 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8296 -0.6725 -0.6125 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6835 -1.0824 0.0449 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4735 -2.3978 0.5040 N 0 0 0 0 0 4 0 0 0 0 0 0 0.4222 -2.6881 1.0811 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4191 -3.3550 0.3167 O 0 0 0 0 0 1 0 0 0 0 0 0 0.8535 -0.0082 0.1452 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4336 0.0509 0.7448 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5850 -0.2584 -0.1531 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8567 -0.1349 0.6981 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7443 0.5869 -1.2263 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2503 2.4561 -1.4133 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8187 3.1117 -0.7046 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4505 2.6841 0.3807 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6960 -1.3128 -0.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5962 1.1089 1.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5057 -0.6308 1.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5830 -1.2954 -0.5384 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7419 0.6388 1.4793 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0773 -1.0876 1.2225 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7319 0.0836 0.0583 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1556 0.1416 -2.0067 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 11 13 1 0 9 2 1 0 1 14 1 0 1 15 1 0 1 16 1 0 4 17 1 0 10 18 1 0 10 19 1 0 11 20 1 0 12 21 1 0 12 22 1 0 12 23 1 0 13 24 1 0 M CHG 2 6 1 8 -1 M END