1 26 Threonine Dipeptide 2 1 C 0.000000 0.000000 0.000000 1 2 12 13 14 3 2 C 0.000000 0.000000 1.509000 3 1 3 8 4 3 N 1.240814 0.000000 2.028044 9 2 4 9 5 4 C 1.451574 0.000000 3.472751 1 3 5 15 16 6 5 C 0.901472 1.250111 4.114382 3 4 6 10 7 6 N 1.168024 2.359491 3.402166 9 5 7 11 8 7 C 0.718774 3.671738 3.857998 1 6 24 25 26 9 8 O -1.012040 -0.176120 2.163431 7 2 10 9 H 2.037297 0.000000 1.387655 28 3 11 10 O 0.441877 1.258910 5.242309 7 5 12 11 H 1.694035 2.265069 2.531028 28 6 13 12 H -1.059125 0.000000 -0.342088 5 1 14 13 H 0.498992 -0.934212 -0.342088 5 1 15 14 H 0.498992 0.934212 -0.342088 5 1 16 15 H 0.930196 -0.873822 3.923716 5 4 17 16 C 2.941374 -0.110242 3.769182 1 4 17 18 19 18 17 O 3.095914 -0.106471 5.167664 6 16 20 19 18 C 3.661164 1.114647 3.220476 1 16 21 22 23 20 19 H 3.318150 -1.093429 3.408417 5 16 21 20 H 4.019235 -0.174907 5.341326 21 17 22 21 H 4.751336 1.042452 3.432804 5 18 23 22 H 3.259612 2.037139 3.696431 5 18 24 23 H 3.510140 1.183707 2.119935 5 18 25 24 H 1.037483 4.439147 3.137229 5 7 26 25 H 1.165204 3.891487 4.853579 5 7 27 26 H -0.391412 3.677000 3.936913 5 7 28