COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNK A   1       6.513  -3.287   2.614  1.00  0.00           C  
HETATM    2  N   UNK A   1       6.594  -1.714   0.764  1.00  0.00           N  
HETATM    3  S   UNK A   1      -1.903   2.580  -0.606  1.00  0.00           S  
HETATM    4  C   UNK A   1       0.314  -2.217  -2.158  1.00  0.00           C  
HETATM    5  N   UNK A   1       1.449  -1.172  -0.285  1.00  0.00           N  
HETATM    6  O   UNK A   1       1.402  -2.208  -2.695  1.00  0.00           O  
ATOM      7  C   GLY A   2      -1.929  -3.770  -4.654  1.00  0.00           C  
ATOM      8  N   GLY A   2      -0.752  -2.727  -2.806  1.00  0.00           N  
HETATM    9  C   UNK A   1      -4.571   0.198   1.334  1.00  0.00           C  
HETATM   10  C   UNK A   1      -3.645   0.691   0.293  1.00  0.00           C  
HETATM   11  O   UNK A   1       6.195  -3.594   3.882  1.00  0.00           O  
HETATM   12  O   UNK A   1       7.377  -3.908   2.042  1.00  0.00           O  
ATOM     13  O   GLY A   2      -2.908  -3.685  -3.950  1.00  0.00           O  
ATOM     14  OXT GLY A   2      -2.029  -4.313  -5.878  1.00  0.00           O  
HETATM   15  C   UNK A   1       5.789  -2.173   1.904  1.00  0.00           C  
HETATM   16  N   UNK A   1      -5.572  -0.377   0.753  1.00  0.00           N  
HETATM   17  C   UNK A   1       0.155  -1.660  -0.767  1.00  0.00           C  
HETATM   18  O   UNK A   1      -5.363  -0.280  -0.650  1.00  0.00           O  
ATOM     19  CA  GLY A   2      -0.598  -3.268  -4.159  1.00  0.00           C  
HETATM   20  N   UNK A   1      -4.134   0.402  -0.857  1.00  0.00           N  
HETATM   21  O   UNK A   1      -4.685  -0.093   5.005  1.00  0.00           O  
HETATM   22  N   UNK A   1      -4.968  -0.301   3.839  1.00  0.00           N1+
HETATM   23  O   UNK A   1      -5.838  -1.105   3.557  1.00  0.00           O1-
HETATM   24  O   UNK A   1       5.200   7.945  -1.522  1.00  0.00           O  
HETATM   25  C   UNK A   1       4.437  -2.683   1.401  1.00  0.00           C  
HETATM   26  C   UNK A   1      -0.849  -0.505  -0.792  1.00  0.00           C  
HETATM   27  C   UNK A   1       2.318  -2.024   0.295  1.00  0.00           C  
HETATM   28  C   UNK A   1       3.949   7.436  -1.988  1.00  0.00           C  
HETATM   29  O   UNK A   1       2.027  -3.195   0.418  1.00  0.00           O  
HETATM   30  C   UNK A   1       3.421   6.397  -0.997  1.00  0.00           C  
HETATM   31  C   UNK A   1       2.081   5.851  -1.497  1.00  0.00           C  
HETATM   32  C   UNK A   1       1.553   4.812  -0.506  1.00  0.00           C  
HETATM   33  C   UNK A   1       0.213   4.266  -1.005  1.00  0.00           C  
HETATM   34  C   UNK A   1      -0.315   3.227  -0.014  1.00  0.00           C  
HETATM   35  C   UNK A   1      -2.364   1.389   0.683  1.00  0.00           C  
HETATM   36  C   UNK A   1      -2.591   2.124   2.003  1.00  0.00           C  
HETATM   37  C   UNK A   1      -3.301   1.308   3.035  1.00  0.00           C  
HETATM   38  C   UNK A   1      -4.255   0.424   2.763  1.00  0.00           C  
HETATM   39  C   UNK A   1       3.649  -1.522   0.790  1.00  0.00           C  
HETATM   40  S   UNK A   1      -1.040   0.165   0.882  1.00  0.00           S  
HETATM   41  H   UNK A   1       6.754  -2.465   0.109  1.00  0.00           H  
HETATM   42  H   UNK A   1       6.161  -0.925   0.310  1.00  0.00           H  
HETATM   43  H   UNK A   1       1.682  -0.236  -0.384  1.00  0.00           H  
ATOM     44  H   GLY A   2      -1.622  -2.734  -2.377  1.00  0.00           H  
HETATM   45  H   UNK A   1       5.631  -1.344   2.594  1.00  0.00           H  
HETATM   46  H   UNK A   1      -0.209  -2.443  -0.101  1.00  0.00           H  
ATOM     47  HA1 GLY A   2       0.117  -4.091  -4.141  1.00  0.00           H  
ATOM     48  HA2 GLY A   2      -0.234  -2.486  -4.824  1.00  0.00           H  
HETATM   49  H   UNK A   1       5.595   8.611  -2.103  1.00  0.00           H  
HETATM   50  H   UNK A   1       4.597  -3.451   0.645  1.00  0.00           H  
HETATM   51  H   UNK A   1       3.875  -3.105   2.234  1.00  0.00           H  
HETATM   52  H   UNK A   1      -0.485   0.278  -1.458  1.00  0.00           H  
HETATM   53  H   UNK A   1      -1.812  -0.869  -1.150  1.00  0.00           H  
HETATM   54  H   UNK A   1       3.233   8.253  -2.075  1.00  0.00           H  
HETATM   55  H   UNK A   1       4.088   6.969  -2.964  1.00  0.00           H  
HETATM   56  H   UNK A   1       4.137   5.579  -0.911  1.00  0.00           H  
HETATM   57  H   UNK A   1       3.282   6.863  -0.022  1.00  0.00           H  
HETATM   58  H   UNK A   1       1.365   6.668  -1.583  1.00  0.00           H  
HETATM   59  H   UNK A   1       2.220   5.385  -2.472  1.00  0.00           H  
HETATM   60  H   UNK A   1       2.269   3.995  -0.419  1.00  0.00           H  
HETATM   61  H   UNK A   1       1.414   5.278   0.470  1.00  0.00           H  
HETATM   62  H   UNK A   1      -0.503   5.083  -1.091  1.00  0.00           H  
HETATM   63  H   UNK A   1       0.352   3.800  -1.980  1.00  0.00           H  
HETATM   64  H   UNK A   1      -0.454   3.693   0.962  1.00  0.00           H  
HETATM   65  H   UNK A   1       0.401   2.410   0.072  1.00  0.00           H  
HETATM   66  H   UNK A   1      -1.623   2.426   2.404  1.00  0.00           H  
HETATM   67  H   UNK A   1      -3.178   3.021   1.805  1.00  0.00           H  
HETATM   68  H   UNK A   1      -3.020   1.446   4.069  1.00  0.00           H  
HETATM   69  H   UNK A   1       3.489  -0.754   1.546  1.00  0.00           H  
HETATM   70  H   UNK A   1       4.211  -1.100  -0.043  1.00  0.00           H  
HETATM   71  H   UNK A   1       6.684  -4.319   4.295  1.00  0.00           H  
ATOM     72  HXT GLY A   2      -2.904  -4.621  -6.152  1.00  0.00           H  
CONECT    1   11   12   12   15                                       
CONECT    2   15   41   42                                            
CONECT    3   34   35                                                 
CONECT    4    6    6    8   17                                       
CONECT    5   17   27   43                                            
CONECT    6    4    4                                                 
CONECT    7   13   13   14   19                                       
CONECT    8    4   19   44                                            
CONECT    9   10   16   16   38                                       
CONECT   10    9   20   20   35                                       
CONECT   11    1   71                                                 
CONECT   12    1    1                                                 
CONECT   13    7    7                                                 
CONECT   14    7   72                                                 
CONECT   15    1    2   25   45                                       
CONECT   16    9    9   18                                            
CONECT   17    4    5   26   46                                       
CONECT   18   16   20                                                 
CONECT   19    7    8   47   48                                       
CONECT   20   10   10   18                                            
CONECT   21   22   22                                                 
CONECT   22   21   21   23   38                                       
CONECT   23   22                                                      
CONECT   24   28   49                                                 
CONECT   25   15   39   50   51                                       
CONECT   26   17   40   52   53                                       
CONECT   27    5   29   29   39                                       
CONECT   28   24   30   54   55                                       
CONECT   29   27   27                                                 
CONECT   30   28   31   56   57                                       
CONECT   31   30   32   58   59                                       
CONECT   32   31   33   60   61                                       
CONECT   33   32   34   62   63                                       
CONECT   34    3   33   64   65                                       
CONECT   35    3   10   36   40                                       
CONECT   36   35   37   66   67                                       
CONECT   37   36   38   38   68                                       
CONECT   38    9   22   37   37                                       
CONECT   39   25   27   69   70                                       
CONECT   40   26   35                                                 
CONECT   41    2                                                      
CONECT   42    2                                                      
CONECT   43    5                                                      
CONECT   44    8                                                      
CONECT   45   15                                                      
CONECT   46   17                                                      
CONECT   47   19                                                      
CONECT   48   19                                                      
CONECT   49   24                                                      
CONECT   50   25                                                      
CONECT   51   25                                                      
CONECT   52   26                                                      
CONECT   53   26                                                      
CONECT   54   28                                                      
CONECT   55   28                                                      
CONECT   56   30                                                      
CONECT   57   30                                                      
CONECT   58   31                                                      
CONECT   59   31                                                      
CONECT   60   32                                                      
CONECT   61   32                                                      
CONECT   62   33                                                      
CONECT   63   33                                                      
CONECT   64   34                                                      
CONECT   65   34                                                      
CONECT   66   36                                                      
CONECT   67   36                                                      
CONECT   68   37                                                      
CONECT   69   39                                                      
CONECT   70   39                                                      
CONECT   71   11                                                      
CONECT   72   14                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
