HMDB0041827 RDKit 3D Ammonium 5 4 0 0 0 0 0 0 0 0999 V2000 0.0026 0.0171 -0.0115 N 0 0 0 0 0 4 0 0 0 0 0 0 -0.5990 0.1502 0.8239 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3721 -0.8042 -0.5433 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0162 0.8836 -0.5823 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9523 -0.2467 0.3131 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 1 5 1 0 M CHG 1 1 1 M END