HMDB0252881 RDKit 3D Gly-his 27 27 0 0 0 0 0 0 0 0999 V2000 3.8468 1.9492 0.7490 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4215 1.7875 0.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9942 0.5158 0.2952 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8380 -0.2144 -0.2801 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6489 0.0740 0.3044 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2914 -1.1639 -0.3267 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6043 -0.8915 -1.5158 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8558 -0.2001 -1.1353 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0304 -0.8247 -0.7799 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9392 0.1246 -0.5030 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3768 1.3321 -0.6719 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1141 1.1142 -1.0552 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2582 -2.1637 0.5859 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3837 -1.9107 1.7978 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6439 -3.3970 0.1184 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0849 2.9730 0.6372 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1197 1.4006 -0.0953 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8923 2.6675 0.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1645 1.7192 2.0174 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0423 0.6966 0.7895 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2265 -1.6051 -0.7562 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0096 -0.2903 -2.2338 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8214 -1.8516 -2.0494 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2120 -1.9045 -0.7263 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8764 2.3025 -0.5191 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4398 1.8848 -1.2587 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0599 -4.1242 0.0767 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 3 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 6 13 1 0 13 14 2 0 13 15 1 0 12 8 1 0 1 16 1 0 1 17 1 0 2 18 1 0 2 19 1 0 5 20 1 0 6 21 1 0 7 22 1 0 7 23 1 0 9 24 1 0 11 25 1 0 12 26 1 0 15 27 1 0 M END