COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.321  -0.078   0.651  1.00  0.00           C  
HETATM    2  C   UNL     1       4.199  -0.910  -0.135  1.00  0.00           C  
HETATM    3  C   UNL     1       2.829   0.011   1.326  1.00  0.00           C  
HETATM    4  C   UNL     1       4.924  -0.139   0.790  1.00  0.00           C  
HETATM    5  C   UNL     1       1.740  -1.426  -0.440  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.548  -1.618  -0.423  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.822  -1.169   0.293  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.363   0.098  -0.374  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.702   0.477   0.261  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.873   2.382  -0.918  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.925   3.528  -0.673  1.00  0.00           C  
HETATM   12  C   UNL     1       0.155   3.723  -1.514  1.00  0.00           C  
HETATM   13  C   UNL     1       1.024   4.774  -1.289  1.00  0.00           C  
HETATM   14  C   UNL     1       0.814   5.630  -0.225  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.053  -2.964   0.153  1.00  0.00           C  
HETATM   16  N   UNL     1       7.088   0.665   1.532  1.00  0.00           N  
HETATM   17  N   UNL     1       6.890  -0.753  -0.343  1.00  0.00           N  
HETATM   18  C   UNL     1       6.166  -1.468  -1.185  1.00  0.00           C  
HETATM   19  N   UNL     1       4.856  -1.555  -1.094  1.00  0.00           N  
HETATM   20  N   UNL     1       2.881  -0.796   0.228  1.00  0.00           N  
HETATM   21  N   UNL     1       4.028   0.395   1.654  1.00  0.00           N  
HETATM   22  O   UNL     1       0.528  -0.690  -0.166  1.00  0.00           O  
HETATM   23  C   UNL     1      -4.740  -0.601  -0.058  1.00  0.00           C  
HETATM   24  CA  UNL     1      -6.110  -0.159   0.462  1.00  0.00           C  
HETATM   25  N   UNL     1      -6.074  -0.075   1.928  1.00  0.00           N1+
HETATM   26  C   UNL     1      -7.154  -1.161   0.042  1.00  0.00           C  
HETATM   27  OXT UNL     1      -7.653  -1.128  -1.204  1.00  0.00           O  
HETATM   28  O   UNL     1      -7.542  -1.994   0.826  1.00  0.00           O  
HETATM   29  N   UNL     1      -1.405   1.196  -0.189  1.00  0.00           N1+
HETATM   30  C   UNL     1      -0.266   5.435   0.616  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.139   4.388   0.388  1.00  0.00           C  
HETATM   32  O   UNL     1      -0.470  -4.048  -0.679  1.00  0.00           O  
HETATM   33  C   UNL     1       1.487  -2.834   0.141  1.00  0.00           C  
HETATM   34  O   UNL     1       2.067  -3.834  -0.698  1.00  0.00           O  
HETATM   35  H   UNL     1       1.925   0.290   1.847  1.00  0.00           H  
HETATM   36  H   UNL     1       1.914  -1.484  -1.515  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.726  -1.707  -1.495  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.571  -1.959   0.233  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.597  -0.960   1.339  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.504  -0.085  -1.439  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.582   0.558   1.341  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.037   1.433  -0.141  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.869   2.654  -0.568  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.909   2.162  -1.985  1.00  0.00           H  
HETATM   45  H   UNL     1       0.320   3.054  -2.345  1.00  0.00           H  
HETATM   46  H   UNL     1       1.868   4.927  -1.946  1.00  0.00           H  
HETATM   47  H   UNL     1       1.493   6.451  -0.049  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.419  -3.102   1.170  1.00  0.00           H  
HETATM   49  H   UNL     1       6.662   1.150   2.256  1.00  0.00           H  
HETATM   50  H   UNL     1       8.052   0.700   1.426  1.00  0.00           H  
HETATM   51  H   UNL     1       6.669  -2.000  -1.979  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.792  -0.749  -1.136  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.453  -1.536   0.424  1.00  0.00           H  
HETATM   54  HA  UNL     1      -6.357   0.819   0.048  1.00  0.00           H  
HETATM   55  H1  UNL     1      -5.845  -0.979   2.311  1.00  0.00           H  
HETATM   56  H2  UNL     1      -5.375   0.596   2.209  1.00  0.00           H  
HETATM   57  H3  UNL     1      -6.977   0.217   2.271  1.00  0.00           H  
HETATM   58  HXT UNL     1      -8.321  -1.791  -1.427  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.328   1.413   0.794  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.502   0.918  -0.543  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.431   6.104   1.448  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.985   4.238   1.042  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.187  -4.918  -0.364  1.00  0.00           H  
HETATM   64  H   UNL     1       1.883  -2.906   1.154  1.00  0.00           H  
HETATM   65  H   UNL     1       1.938  -4.738  -0.380  1.00  0.00           H  
CONECT    1   17   16    4    4                                       
CONECT    2   19   19    4   20                                       
CONECT    3   21   21   20   35                                       
CONECT    4    1    1    2   21                                       
CONECT    5   20   22   33   36                                       
CONECT    6   22   15    7   37                                       
CONECT    7    8    6   38   39                                       
CONECT    8    9   29    7   40                                       
CONECT    9   23    8   41   42                                       
CONECT   10   29   11   43   44                                       
CONECT   11   10   31   31   12                                       
CONECT   12   11   13   13   45                                       
CONECT   13   12   12   14   46                                       
CONECT   14   30   30   13   47                                       
CONECT   15   33    6   32   48                                       
CONECT   16    1   49   50                                            
CONECT   17   18   18    1                                            
CONECT   18   17   17   19   51                                       
CONECT   19   18    2    2                                            
CONECT   20    2    3    5                                            
CONECT   21    4    3    3                                            
CONECT   22    5    6                                                 
CONECT   23   24    9   52   53                                       
CONECT   24   25   26   23   54                                       
CONECT   25   24   55   56   57                                       
CONECT   26   28   28   24   27                                       
CONECT   27   26   58                                                 
CONECT   28   26   26                                                 
CONECT   29    8   10   59   60                                       
CONECT   30   31   14   14   61                                       
CONECT   31   11   11   30   62                                       
CONECT   32   15   63                                                 
CONECT   33    5   34   15   64                                       
CONECT   34   33   65                                                 
CONECT   35    3                                                      
CONECT   36    5                                                      
CONECT   37    6                                                      
CONECT   38    7                                                      
CONECT   39    7                                                      
CONECT   40    8                                                      
CONECT   41    9                                                      
CONECT   42    9                                                      
CONECT   43   10                                                      
CONECT   44   10                                                      
CONECT   45   12                                                      
CONECT   46   13                                                      
CONECT   47   14                                                      
CONECT   48   15                                                      
CONECT   49   16                                                      
CONECT   50   16                                                      
CONECT   51   18                                                      
CONECT   52   23                                                      
CONECT   53   23                                                      
CONECT   54   24                                                      
CONECT   55   25                                                      
CONECT   56   25                                                      
CONECT   57   25                                                      
CONECT   58   27                                                      
CONECT   59   29                                                      
CONECT   60   29                                                      
CONECT   61   30                                                      
CONECT   62   31                                                      
CONECT   63   32                                                      
CONECT   64   33                                                      
CONECT   65   34                                                      
MASTER        0    0    0    0    0    0    0    0   65    0   65    0
END
