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