HMDB0000001 RDKit 3D 1-Methylhistidine 23 23 0 0 0 0 0 0 0 0999 V2000 -3.7957 0.4453 0.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5136 0.2030 -0.0213 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1828 0.5732 -1.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9077 0.1723 -1.5172 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4232 -0.4518 -0.4325 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9364 -1.0640 -0.2343 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8692 0.0076 0.3371 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9182 1.0712 -0.6097 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1754 -0.6358 0.5677 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3179 -1.5899 1.3690 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2842 -0.1807 -0.1158 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4453 -0.4254 0.5023 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8709 1.5441 0.7697 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5720 0.0606 -0.0608 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8359 -0.0969 1.5837 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8119 1.1007 -1.9719 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3663 -1.3735 -1.1949 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8300 -1.9200 0.4358 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4524 0.3835 1.2931 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9971 0.7936 -1.5906 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4195 1.9128 -0.3213 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1745 0.3217 -0.9698 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3820 -0.8517 1.5055 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 2 0 9 11 1 0 5 12 2 0 12 2 1 0 1 13 1 0 1 14 1 0 1 15 1 0 3 16 1 0 6 17 1 0 6 18 1 0 7 19 1 1 8 20 1 0 8 21 1 0 11 22 1 0 12 23 1 0 M END