1    22  Alanine Dipeptide // CHARMM22 C5 Minimum
2     1  CT3    27
3     2  C      20     1   1.48027
4     3  O      74     2   1.22331     1  121.1361
5     4  HA      1     1   1.11169     2  109.2917     3    0.3662     0
6     5  HA      1     1   1.11032     2  110.1546     4  108.8827     1
7     6  HA      1     1   1.11038     2  110.1698     4  108.8854    -1
8     7  NH1    63     2   1.33505     1  116.3706     3  122.4926     1
9     8  CT1    23     7   1.44112     2  122.8457     1 -179.9811     0
10     9  C      20     8   1.51632     7  107.8942     2 -159.0154     0
11    10  O      74     9   1.22957     8  120.7460     7  -13.7942     0
12    11  H       3     7   0.99646     2  121.7232     8  115.4115     1
13    12  HB      4     8   1.08262     7  108.9659     9  107.6880    -1
14    13  CT3    27     8   1.54503     7  111.3502     9  110.1120     1
15    14  HA      1    13   1.11091     8  110.5224     7   58.5707     0
16    15  HA      1    13   1.10940     8  111.5400    14  109.0046    -1
17    16  HA      1    13   1.11182     8  109.4043    14  108.0612     1
18    17  NH1    63     9   1.34759     8  117.6365    10  121.6088    -1
19    18  CT3    61    17   1.44436     9  121.5442     8 -179.4540     0
20    19  H       3    17   0.99460     9  120.4045    18  118.0513     1
21    20  HA      1    18   1.11232    17  110.7036     9 -179.8984     0
22    21  HA      1    18   1.11411    17  110.6487    20  108.3352     1
23    22  HA      1    18   1.11408    17  110.6596    20  108.3483    -1
24