HMDB0062558 RDKit 3D Pyroglutamine 17 17 0 0 0 0 0 0 0 0999 V2000 -2.1421 0.8065 0.4072 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7823 0.3497 0.5523 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5600 -0.8780 -0.2652 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8648 -1.2810 -0.4184 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8415 -0.2674 -0.0186 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0075 -0.5956 0.3521 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4966 1.1249 -0.0385 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1028 1.4223 0.0104 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3111 2.5283 -0.3873 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6964 0.4126 1.2099 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5416 0.5603 -0.5199 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5128 0.1136 1.6026 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0271 -0.7187 -1.2716 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1288 -1.7157 0.2175 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1042 -2.2158 0.1541 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0690 -1.5262 -1.5008 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2158 1.8802 -0.0858 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 2 0 8 2 1 0 1 10 1 0 1 11 1 0 2 12 1 1 3 13 1 0 3 14 1 0 4 15 1 0 4 16 1 0 7 17 1 0 M END