HMDB0246829 RDKit 3D 5-Nitrothiazole 10 10 0 0 0 0 0 0 0 0999 V2000 -2.6301 0.6872 0.2559 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9254 -0.2646 -0.1120 N 0 0 0 0 0 4 0 0 0 0 0 0 -2.5021 -1.4150 -0.5632 O 0 0 0 0 0 1 0 0 0 0 0 0 -0.4900 -0.1689 -0.0681 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2729 0.8912 0.3487 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5617 0.7583 0.3028 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0883 -0.3749 -0.1366 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7063 -1.3078 -0.5067 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.2438 1.8092 0.7043 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1623 -0.6146 -0.2251 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 4 1 0 5 9 1 0 7 10 1 0 M CHG 2 2 1 3 -1 M END