HMDB0000097 RDKit 3D Choline 21 20 0 0 0 0 0 0 0 0999 V2000 -1.4031 0.0214 1.2788 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4628 0.0424 0.1463 N 0 0 0 0 0 4 0 0 0 0 0 0 -0.8765 -1.0353 -0.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6821 1.2950 -0.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8453 -0.1173 0.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8752 -0.5810 -0.3081 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0259 0.3013 -1.3728 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0649 -0.7542 1.9859 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4254 -0.1387 0.8969 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3445 1.0024 1.8098 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5989 -2.0290 -0.3612 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9997 -0.9770 -0.8069 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5012 -0.8016 -1.7426 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7890 2.1467 0.1928 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6737 1.2269 -1.0404 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0518 1.5495 -1.2795 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1692 0.8249 1.1318 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7982 -0.8774 1.4915 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8586 -0.5886 0.2292 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7123 -1.6149 -0.6585 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4853 1.1048 -1.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 2 5 1 0 5 6 1 0 6 7 1 0 1 8 1 0 1 9 1 0 1 10 1 0 3 11 1 0 3 12 1 0 3 13 1 0 4 14 1 0 4 15 1 0 4 16 1 0 5 17 1 0 5 18 1 0 6 19 1 0 6 20 1 0 7 21 1 0 M CHG 1 2 1 M END