COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNK A   1      -8.624  -4.396   1.251  1.00  0.00           O  
HETATM    2  C   UNK A   1      -7.645  -4.088   1.888  1.00  0.00           C  
HETATM    3  O   UNK A   1      -7.730  -3.934   3.219  1.00  0.00           O  
HETATM    4  C   UNK A   1      -6.326  -3.881   1.189  1.00  0.00           C  
HETATM    5  N   UNK A   1      -6.354  -4.553  -0.117  1.00  0.00           N  
HETATM    6  C   UNK A   1      -6.085  -2.384   0.987  1.00  0.00           C  
HETATM    7  C   UNK A   1      -4.692  -2.167   0.391  1.00  0.00           C  
HETATM    8  C   UNK A   1      -4.455  -0.692   0.192  1.00  0.00           C  
HETATM    9  O   UNK A   1      -5.315   0.107   0.497  1.00  0.00           O  
HETATM   10  N   UNK A   1      -3.287  -0.261  -0.325  1.00  0.00           N  
HETATM   11  C   UNK A   1      -3.056   1.173  -0.518  1.00  0.00           C  
HETATM   12  C   UNK A   1      -3.634   1.600  -1.842  1.00  0.00           C  
HETATM   13  O   UNK A   1      -4.185   0.788  -2.555  1.00  0.00           O  
ATOM     14  N   GLY A   2      -3.539   2.886  -2.235  1.00  0.00           N  
ATOM     15  CA  GLY A   2      -4.101   3.302  -3.523  1.00  0.00           C  
ATOM     16  C   GLY A   2      -3.864   4.777  -3.721  1.00  0.00           C  
ATOM     17  OXT GLY A   2      -4.296   5.382  -4.839  1.00  0.00           O  
ATOM     18  O   GLY A   2      -3.285   5.415  -2.875  1.00  0.00           O  
HETATM   19  C   UNK A   1      -1.552   1.454  -0.503  1.00  0.00           C  
HETATM   20  S   UNK A   1      -0.857   0.938   1.091  1.00  0.00           S  
HETATM   21  C   UNK A   1       0.903   1.344   0.918  1.00  0.00           C  
HETATM   22  C   UNK A   1       1.642   0.963   2.202  1.00  0.00           C  
HETATM   23  N   UNK A   1       3.063   1.291   2.063  1.00  0.00           N  
HETATM   24  C   UNK A   1       3.553   2.612   2.464  1.00  0.00           C  
HETATM   25  C   UNK A   1       3.968   2.578   3.936  1.00  0.00           C  
HETATM   26 CL   UNK A   1       4.571   4.204   4.429  1.00  0.00          Cl  
HETATM   27  C   UNK A   1       3.951   0.344   1.548  1.00  0.00           C  
HETATM   28  C   UNK A   1       3.488  -0.907   1.162  1.00  0.00           C  
HETATM   29  C   UNK A   1       4.368  -1.842   0.653  1.00  0.00           C  
HETATM   30  C   UNK A   1       5.710  -1.533   0.528  1.00  0.00           C  
HETATM   31  C   UNK A   1       6.175  -0.288   0.911  1.00  0.00           C  
HETATM   32  C   UNK A   1       5.299   0.653   1.416  1.00  0.00           C  
HETATM   33  C   UNK A   1       6.668  -2.555  -0.027  1.00  0.00           C  
HETATM   34  C   UNK A   1       6.753  -2.402  -1.547  1.00  0.00           C  
HETATM   35  C   UNK A   1       7.726  -3.440  -2.111  1.00  0.00           C  
HETATM   36  C   UNK A   1       7.810  -3.289  -3.608  1.00  0.00           C  
HETATM   37  O   UNK A   1       7.158  -2.439  -4.167  1.00  0.00           O  
HETATM   38  O   UNK A   1       8.608  -4.099  -4.320  1.00  0.00           O  
HETATM   39  H   UNK A   1      -8.596  -4.081   3.623  1.00  0.00           H  
HETATM   40  H   UNK A   1      -5.523  -4.300   1.796  1.00  0.00           H  
HETATM   41  H   UNK A   1      -7.090  -4.182  -0.699  1.00  0.00           H  
HETATM   42  H   UNK A   1      -5.459  -4.484  -0.579  1.00  0.00           H  
HETATM   43  H   UNK A   1      -6.837  -1.983   0.308  1.00  0.00           H  
HETATM   44  H   UNK A   1      -6.152  -1.872   1.947  1.00  0.00           H  
HETATM   45  H   UNK A   1      -3.940  -2.568   1.070  1.00  0.00           H  
HETATM   46  H   UNK A   1      -4.625  -2.678  -0.570  1.00  0.00           H  
HETATM   47  H   UNK A   1      -2.600  -0.900  -0.569  1.00  0.00           H  
HETATM   48  H   UNK A   1      -3.538   1.730   0.285  1.00  0.00           H  
ATOM     49  H   GLY A   2      -3.099   3.536  -1.666  1.00  0.00           H  
ATOM     50  HA1 GLY A   2      -3.620   2.745  -4.326  1.00  0.00           H  
ATOM     51  HA2 GLY A   2      -5.173   3.102  -3.533  1.00  0.00           H  
ATOM     52  HXT GLY A   2      -4.120   6.329  -4.922  1.00  0.00           H  
HETATM   53  H   UNK A   1      -1.071   0.896  -1.307  1.00  0.00           H  
HETATM   54  H   UNK A   1      -1.381   2.520  -0.647  1.00  0.00           H  
HETATM   55  H   UNK A   1       1.323   0.790   0.079  1.00  0.00           H  
HETATM   56  H   UNK A   1       1.013   2.414   0.739  1.00  0.00           H  
HETATM   57  H   UNK A   1       1.222   1.518   3.042  1.00  0.00           H  
HETATM   58  H   UNK A   1       1.532  -0.106   2.382  1.00  0.00           H  
HETATM   59  H   UNK A   1       4.412   2.883   1.850  1.00  0.00           H  
HETATM   60  H   UNK A   1       2.762   3.350   2.327  1.00  0.00           H  
HETATM   61  H   UNK A   1       3.109   2.307   4.550  1.00  0.00           H  
HETATM   62  H   UNK A   1       4.759   1.840   4.073  1.00  0.00           H  
HETATM   63  H   UNK A   1       2.440  -1.150   1.261  1.00  0.00           H  
HETATM   64  H   UNK A   1       4.009  -2.815   0.353  1.00  0.00           H  
HETATM   65  H   UNK A   1       7.224  -0.050   0.812  1.00  0.00           H  
HETATM   66  H   UNK A   1       5.662   1.627   1.710  1.00  0.00           H  
HETATM   67  H   UNK A   1       7.656  -2.402   0.409  1.00  0.00           H  
HETATM   68  H   UNK A   1       6.314  -3.556   0.218  1.00  0.00           H  
HETATM   69  H   UNK A   1       5.766  -2.555  -1.983  1.00  0.00           H  
HETATM   70  H   UNK A   1       7.108  -1.401  -1.792  1.00  0.00           H  
HETATM   71  H   UNK A   1       8.713  -3.287  -1.674  1.00  0.00           H  
HETATM   72  H   UNK A   1       7.372  -4.441  -1.865  1.00  0.00           H  
HETATM   73  H   UNK A   1       8.628  -3.964  -5.278  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    4    3                                       
CONECT    3    2   39                                                 
CONECT    4    2    6    5   40                                       
CONECT    5    4   41   42                                            
CONECT    6    4    7   43   44                                       
CONECT    7    6    8   45   46                                       
CONECT    8    7   10    9    9                                       
CONECT    9    8    8                                                 
CONECT   10    8   11   47                                            
CONECT   11   10   12   19   48                                       
CONECT   12   11   14   13   13                                       
CONECT   13   12   12                                                 
CONECT   14   12   15   49                                            
CONECT   15   14   16   50   51                                       
CONECT   16   15   18   18   17                                       
CONECT   17   16   52                                                 
CONECT   18   16   16                                                 
CONECT   19   11   20   53   54                                       
CONECT   20   19   21                                                 
CONECT   21   20   22   55   56                                       
CONECT   22   21   23   57   58                                       
CONECT   23   22   24   27                                            
CONECT   24   23   25   59   60                                       
CONECT   25   24   26   61   62                                       
CONECT   26   25                                                      
CONECT   27   23   28   28   32                                       
CONECT   28   27   27   29   63                                       
CONECT   29   28   30   30   64                                       
CONECT   30   29   29   33   31                                       
CONECT   31   30   32   32   65                                       
CONECT   32   27   31   31   66                                       
CONECT   33   30   34   67   68                                       
CONECT   34   33   35   69   70                                       
CONECT   35   34   36   71   72                                       
CONECT   36   35   37   37   38                                       
CONECT   37   36   36                                                 
CONECT   38   36   73                                                 
CONECT   39    3                                                      
CONECT   40    4                                                      
CONECT   41    5                                                      
CONECT   42    5                                                      
CONECT   43    6                                                      
CONECT   44    6                                                      
CONECT   45    7                                                      
CONECT   46    7                                                      
CONECT   47   10                                                      
CONECT   48   11                                                      
CONECT   49   14                                                      
CONECT   50   15                                                      
CONECT   51   15                                                      
CONECT   52   17                                                      
CONECT   53   19                                                      
CONECT   54   19                                                      
CONECT   55   21                                                      
CONECT   56   21                                                      
CONECT   57   22                                                      
CONECT   58   22                                                      
CONECT   59   24                                                      
CONECT   60   24                                                      
CONECT   61   25                                                      
CONECT   62   25                                                      
CONECT   63   28                                                      
CONECT   64   29                                                      
CONECT   65   31                                                      
CONECT   66   32                                                      
CONECT   67   33                                                      
CONECT   68   33                                                      
CONECT   69   34                                                      
CONECT   70   34                                                      
CONECT   71   35                                                      
CONECT   72   35                                                      
CONECT   73   38                                                      
MASTER        0    0    0    0    0    0    0    0   73    0   73    0
END
