HMDB0000078 RDKit 3D Cysteinylglycine 21 20 0 0 0 0 0 0 0 0999 V2000 -2.0359 -0.4967 -0.8655 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5652 0.1748 0.3244 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1381 -0.5702 1.5101 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6405 0.1483 3.0856 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0929 0.1776 0.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5360 0.7059 1.2943 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6224 -0.4283 -0.7008 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0691 -0.4714 -0.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5693 0.9152 -0.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7638 1.8660 -0.7261 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9272 1.1571 -0.8070 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1116 -1.5246 -0.7428 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0268 -0.1604 -1.0291 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9399 1.2352 0.3459 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8741 -1.6336 1.4396 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2516 -0.4730 1.4386 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3625 1.5097 2.9277 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1084 -0.8820 -1.5076 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4230 -0.9608 -1.6881 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4856 -0.9875 0.1423 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5346 0.6986 -1.4998 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 2 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 1 12 1 0 1 13 1 0 2 14 1 6 3 15 1 0 3 16 1 0 4 17 1 0 7 18 1 0 8 19 1 0 8 20 1 0 11 21 1 0 M END