1    26  Threonine Dipeptide
2     1  C       1
3     2  C       3     1   1.50900
4     3  N       9     2   1.34500     1  112.7000
5     4  C       1     3   1.46000     2  121.0000     1  180.0000     0
6     5  C       3     4   1.50900     3  111.6000     2  -63.0000     0
7     6  N       9     5   1.34500     4  112.7000     3  -42.0000     0
8     7  C       1     6   1.46000     5  121.0000     4  180.0000     0
9     8  O       7     2   1.21800     1  122.5000     3  124.0000     1
10     9  H      28     3   1.02200     2  118.5000     4  120.5000     1
11    10  O       7     5   1.21800     4  122.5000     6  123.9999     1
12    11  H      28     6   1.02200     5  118.5000     7  120.5000     1
13    12  H       5     1   1.11300     2  107.9000     3  180.0000     0
14    13  H       5     1   1.11300     2  107.9000    12  109.4000     1
15    14  H       5     1   1.11300     2  107.9000    12  109.4000    -1
16    15  H       5     4   1.11300     3  109.4700     5  107.9000    -1
17    16  C       1     4   1.52300     3  109.5000     5  109.5000     1
18    17  O       6    16   1.40700     4  107.5000     3  180.0000     0
19    18  C       1    16   1.52300     4  109.5100    17  107.7000     1
20    19  H       5    16   1.11300     4  109.3900    17  106.7000    -1
21    20  H      21    17   0.94200    16  106.9000     4  180.0000     0
22    21  H       5    18   1.11300    16  110.0000     4  180.0000     0
23    22  H       5    18   1.11300    16  110.0000    21  108.9999     1
24    23  H       5    18   1.11300    16  110.0000    21  109.0000    -1
25    24  H       5     7   1.10000     6  109.4700     5 -180.0000     0
26    25  H       5     7   1.11300     6  109.4699    24  109.4000     1
27    26  H       5     7   1.11300     6  109.4700    24  109.4001    -1
28