COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNK A   1       3.275   1.701   0.120  1.00  0.00           O  
HETATM    2  O   UNK A   1       1.854   3.300   0.674  1.00  0.00           O  
HETATM    3  C   UNK A   1       2.076   2.118   0.555  1.00  0.00           C  
HETATM    4  C   UNK A   1       1.006   1.113   0.894  1.00  0.00           C  
HETATM    5  C   UNK A   1       1.121   0.724   2.370  1.00  0.00           C  
HETATM    6  C   UNK A   1      -0.055  -0.174   2.754  1.00  0.00           C  
HETATM    7  C   UNK A   1      -0.022  -0.439   4.237  1.00  0.00           C  
HETATM    8  C   UNK A   1      -0.684   0.406   5.106  1.00  0.00           C  
HETATM    9  C   UNK A   1      -0.654   0.163   6.466  1.00  0.00           C  
HETATM   10  C   UNK A   1       0.039  -0.927   6.957  1.00  0.00           C  
HETATM   11  C   UNK A   1       0.701  -1.774   6.088  1.00  0.00           C  
HETATM   12  C   UNK A   1       0.666  -1.533   4.728  1.00  0.00           C  
HETATM   13  H   UNK A   1       3.962   2.347  -0.097  1.00  0.00           H  
HETATM   14  H   UNK A   1       0.025   1.549   0.709  1.00  0.00           H  
HETATM   15  H   UNK A   1       2.056   0.188   2.533  1.00  0.00           H  
HETATM   16  H   UNK A   1       1.106   1.624   2.985  1.00  0.00           H  
HETATM   17  H   UNK A   1      -0.991   0.321   2.494  1.00  0.00           H  
HETATM   18  H   UNK A   1       0.016  -1.118   2.214  1.00  0.00           H  
HETATM   19  H   UNK A   1      -1.226   1.258   4.722  1.00  0.00           H  
HETATM   20  H   UNK A   1      -1.171   0.824   7.145  1.00  0.00           H  
HETATM   21  H   UNK A   1       0.063  -1.117   8.020  1.00  0.00           H  
HETATM   22  H   UNK A   1       1.242  -2.626   6.472  1.00  0.00           H  
HETATM   23  H   UNK A   1       1.183  -2.195   4.049  1.00  0.00           H  
HETATM   24  N   UNK A   1       1.176  -0.083   0.059  1.00  0.00           N  
HETATM   25  N   UNK A   1       5.139  -1.793  -4.848  1.00  0.00           N  
HETATM   26  C   UNK A   1      -1.003  -0.143  -1.013  1.00  0.00           C  
HETATM   27  C   UNK A   1       0.458   0.173  -1.196  1.00  0.00           C  
HETATM   28  O   UNK A   1      -1.345  -0.983  -0.207  1.00  0.00           O  
HETATM   29  C   UNK A   1       1.036  -0.708  -2.304  1.00  0.00           C  
HETATM   30  C   UNK A   1       2.520  -0.386  -2.490  1.00  0.00           C  
HETATM   31  C   UNK A   1       3.099  -1.268  -3.598  1.00  0.00           C  
HETATM   32  C   UNK A   1       4.583  -0.946  -3.784  1.00  0.00           C  
HETATM   33  H   UNK A   1       0.687  -0.833   0.524  1.00  0.00           H  
HETATM   34  H   UNK A   1       6.113  -1.547  -4.935  1.00  0.00           H  
HETATM   35  H   UNK A   1       5.108  -2.742  -4.508  1.00  0.00           H  
HETATM   36  H   UNK A   1       0.570   1.222  -1.471  1.00  0.00           H  
HETATM   37  H   UNK A   1       0.504  -0.517  -3.236  1.00  0.00           H  
HETATM   38  H   UNK A   1       0.924  -1.757  -2.029  1.00  0.00           H  
HETATM   39  H   UNK A   1       3.053  -0.576  -1.558  1.00  0.00           H  
HETATM   40  H   UNK A   1       2.633   0.662  -2.765  1.00  0.00           H  
HETATM   41  H   UNK A   1       2.566  -1.077  -4.530  1.00  0.00           H  
HETATM   42  H   UNK A   1       2.987  -2.317  -3.323  1.00  0.00           H  
HETATM   43  H   UNK A   1       5.116  -1.136  -2.852  1.00  0.00           H  
HETATM   44  H   UNK A   1       4.695   0.102  -4.059  1.00  0.00           H  
ATOM     45  O   PRO A   2      -5.020  -1.510  -2.018  1.00  0.00           O  
ATOM     46  OXT PRO A   2      -2.866  -1.899  -2.317  1.00  0.00           O  
ATOM     47  N   PRO A   2      -1.931   0.504  -1.745  1.00  0.00           N  
ATOM     48  CA  PRO A   2      -3.384   0.303  -1.659  1.00  0.00           C  
ATOM     49  CB  PRO A   2      -4.042   1.279  -2.658  1.00  0.00           C  
ATOM     50  CG  PRO A   2      -2.954   2.369  -2.849  1.00  0.00           C  
ATOM     51  CD  PRO A   2      -1.655   1.529  -2.768  1.00  0.00           C  
ATOM     52  C   PRO A   2      -3.737  -1.116  -2.022  1.00  0.00           C  
ATOM     53  H   PRO A   2      -5.247  -2.421  -2.250  1.00  0.00           H  
ATOM     54  HA  PRO A   2      -3.725   0.522  -0.647  1.00  0.00           H  
ATOM     55  HB1 PRO A   2      -4.950   1.710  -2.238  1.00  0.00           H  
ATOM     56  HB2 PRO A   2      -4.253   0.775  -3.601  1.00  0.00           H  
ATOM     57  HG1 PRO A   2      -2.994   3.105  -2.046  1.00  0.00           H  
ATOM     58  HG2 PRO A   2      -3.049   2.849  -3.822  1.00  0.00           H  
ATOM     59  HD1 PRO A   2      -0.817   2.155  -2.462  1.00  0.00           H  
ATOM     60  HD2 PRO A   2      -1.447   1.059  -3.729  1.00  0.00           H  
CONECT    1    3   13                                                 
CONECT    2    3    3                                                 
CONECT    3    1    2    2    4                                       
CONECT    4   24    3    5   14                                       
CONECT    5    4    6   15   16                                       
CONECT    6    5    7   17   18                                       
CONECT    7    6    8    8   12                                       
CONECT    8    7    7    9   19                                       
CONECT    9    8   10   10   20                                       
CONECT   10    9    9   11   21                                       
CONECT   11   10   12   12   22                                       
CONECT   12    7   11   11   23                                       
CONECT   13    1                                                      
CONECT   14    4                                                      
CONECT   15    5                                                      
CONECT   16    5                                                      
CONECT   17    6                                                      
CONECT   18    6                                                      
CONECT   19    8                                                      
CONECT   20    9                                                      
CONECT   21   10                                                      
CONECT   22   11                                                      
CONECT   23   12                                                      
CONECT   24   27    4   33                                            
CONECT   25   32   34   35                                            
CONECT   26   28   28   47   27                                       
CONECT   27   24   26   29   36                                       
CONECT   28   26   26                                                 
CONECT   29   27   30   37   38                                       
CONECT   30   29   31   39   40                                       
CONECT   31   30   32   41   42                                       
CONECT   32   25   31   43   44                                       
CONECT   33   24                                                      
CONECT   34   25                                                      
CONECT   35   25                                                      
CONECT   36   27                                                      
CONECT   37   29                                                      
CONECT   38   29                                                      
CONECT   39   30                                                      
CONECT   40   30                                                      
CONECT   41   31                                                      
CONECT   42   31                                                      
CONECT   43   32                                                      
CONECT   44   32                                                      
CONECT   45   52   53                                                 
CONECT   46   52   52                                                 
CONECT   47   26   48   51                                            
CONECT   48   47   49   52   54                                       
CONECT   49   48   50   55   56                                       
CONECT   50   49   51   57   58                                       
CONECT   51   47   50   59   60                                       
CONECT   52   45   46   46   48                                       
CONECT   53   45                                                      
CONECT   54   48                                                      
CONECT   55   49                                                      
CONECT   56   49                                                      
CONECT   57   50                                                      
CONECT   58   50                                                      
CONECT   59   51                                                      
CONECT   60   51                                                      
MASTER        0    0    0    0    0    0    0    0   60    0   60    0
END
