REMARK   1 CREATED WITH OPENMM 7.7, 2022-04-23
HETATM    1  H1  ACE A   1       2.000   1.000   0.000  1.00  0.00           H  
HETATM    2  CH3 ACE A   1       2.000   2.090   0.000  1.00  0.00           C  
HETATM    3  H2  ACE A   1       1.486   2.454   0.890  1.00  0.00           H  
HETATM    4  H3  ACE A   1       1.486   2.454  -0.890  1.00  0.00           H  
HETATM    5  C   ACE A   1       3.427   2.641   0.000  1.00  0.00           C  
HETATM    6  O   ACE A   1       4.391   1.877   0.000  1.00  0.00           O  
ATOM      7  N   ALA A   2       3.555   3.970   0.000  1.00  0.00           N  
ATOM      8  H   ALA A   2       2.733   4.556   0.000  1.00  0.00           H  
ATOM      9  CA  ALA A   2       4.853   4.614   0.000  1.00  0.00           C  
ATOM     10  HA  ALA A   2       5.408   4.316   0.890  1.00  0.00           H  
ATOM     11  CB  ALA A   2       5.661   4.221  -1.232  1.00  0.00           C  
ATOM     12  HB1 ALA A   2       5.123   4.521  -2.131  1.00  0.00           H  
ATOM     13  HB2 ALA A   2       6.630   4.719  -1.206  1.00  0.00           H  
ATOM     14  HB3 ALA A   2       5.809   3.141  -1.241  1.00  0.00           H  
ATOM     15  C   ALA A   2       4.713   6.129   0.000  1.00  0.00           C  
ATOM     16  O   ALA A   2       3.601   6.653   0.000  1.00  0.00           O  
HETATM   17  N   NME A   3       5.846   6.835   0.000  1.00  0.00           N  
HETATM   18  H   NME A   3       6.737   6.359   0.000  1.00  0.00           H  
HETATM   19  C   NME A   3       5.846   8.284   0.000  1.00  0.00           C  
HETATM   20  H1  NME A   3       4.819   8.648   0.000  1.00  0.00           H  
HETATM   21  H2  NME A   3       6.360   8.648   0.890  1.00  0.00           H  
HETATM   22  H3  NME A   3       6.360   8.648  -0.890  1.00  0.00           H  
TER      23      NME A   3
CONECT    1    2    2
CONECT    2    5    1    3
CONECT    2    1    5    3    4
CONECT    3    2    2
CONECT    4    2    2
CONECT    5    2    6    7
CONECT    5    6    7
CONECT    6    5    5
CONECT    7    5    5
CONECT   15   17   17
CONECT   17   15   19   18
CONECT   17   19   18
CONECT   18   17   17
CONECT   19   20   21   22
CONECT   19   17   20   21   22
CONECT   20   19   19
CONECT   21   19   19
CONECT   22   19   19
END