COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.131  -0.059   0.381  1.00  0.00           C  
HETATM    2  C   UNL     1       4.589  -1.281   0.902  1.00  0.00           C  
HETATM    3  C   UNL     1       5.926  -1.361   1.326  1.00  0.00           C  
HETATM    4  C   UNL     1       2.503  -1.547   0.373  1.00  0.00           C  
HETATM    5  N   UNL     1       6.692  -0.280   1.214  1.00  0.00           N  
HETATM    6  N   UNL     1       4.971   0.968   0.308  1.00  0.00           N  
HETATM    7  OXT UNL     1      -4.366  -4.330  -1.444  1.00  0.00           O  
HETATM    8  C   UNL     1      -4.598  -3.780  -0.241  1.00  0.00           C  
HETATM    9  O   UNL     1      -4.604  -4.473   0.748  1.00  0.00           O  
HETATM   10  CA  UNL     1      -4.851  -2.299  -0.126  1.00  0.00           C  
HETATM   11  N   UNL     1      -5.532  -2.016   1.145  1.00  0.00           N  
HETATM   12  C   UNL     1      -3.519  -1.549  -0.169  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.782  -0.042  -0.177  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.451   0.709  -0.090  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.720   2.209   0.045  1.00  0.00           C  
HETATM   16  N   UNL     1      -3.403   2.471   1.314  1.00  0.00           N  
HETATM   17  C   UNL     1      -3.659   3.765   1.702  1.00  0.00           C  
HETATM   18  N   UNL     1      -3.294   4.758   0.940  1.00  0.00           N  
HETATM   19  N   UNL     1      -4.300   4.011   2.893  1.00  0.00           N  
HETATM   20  C   UNL     1      -1.634   0.448  -1.357  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.255   1.095  -1.217  1.00  0.00           C  
HETATM   22  O   UNL     1       0.532   0.392  -0.230  1.00  0.00           O  
HETATM   23  C   UNL     1       0.542   0.952  -2.532  1.00  0.00           C  
HETATM   24  O   UNL     1       0.457   2.153  -3.302  1.00  0.00           O  
HETATM   25  C   UNL     1       1.995   0.710  -2.066  1.00  0.00           C  
HETATM   26  O   UNL     1       2.852   1.753  -2.534  1.00  0.00           O  
HETATM   27  C   UNL     1       1.904   0.734  -0.525  1.00  0.00           C  
HETATM   28  N   UNL     1       2.813  -0.258   0.056  1.00  0.00           N  
HETATM   29  N   UNL     1       3.548  -2.147   0.864  1.00  0.00           N  
HETATM   30  C   UNL     1       6.216   0.846   0.717  1.00  0.00           C  
HETATM   31  N   UNL     1       6.434  -2.537   1.849  1.00  0.00           N  
HETATM   32  H   UNL     1       1.535  -2.005   0.231  1.00  0.00           H  
HETATM   33  HXT UNL     1      -4.209  -5.283  -1.468  1.00  0.00           H  
HETATM   34  HA  UNL     1      -5.479  -1.972  -0.955  1.00  0.00           H  
HETATM   35  H1  UNL     1      -6.443  -2.448   1.171  1.00  0.00           H  
HETATM   36  H2  UNL     1      -4.969  -2.311   1.930  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.927  -1.810   0.709  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.974  -1.828  -1.071  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.294   0.233  -1.099  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.405   0.223   0.677  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.894   0.360   0.780  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.774   2.751   0.022  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.348   2.541  -0.782  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.674   1.732   1.880  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.475   5.671   1.214  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.572   3.272   3.459  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.481   4.924   3.167  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.519  -0.627  -1.500  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.151   0.876  -2.216  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.356   2.146  -0.946  1.00  0.00           H  
HETATM   51  H   UNL     1       0.179   0.102  -3.109  1.00  0.00           H  
HETATM   52  H   UNL     1       0.940   2.119  -4.139  1.00  0.00           H  
HETATM   53  H   UNL     1       2.350  -0.261  -2.413  1.00  0.00           H  
HETATM   54  H   UNL     1       2.898   1.822  -3.498  1.00  0.00           H  
HETATM   55  H   UNL     1       2.136   1.730  -0.147  1.00  0.00           H  
HETATM   56  H   UNL     1       6.873   1.701   0.645  1.00  0.00           H  
HETATM   57  H   UNL     1       5.865  -3.319   1.926  1.00  0.00           H  
HETATM   58  H   UNL     1       7.359  -2.580   2.138  1.00  0.00           H  
CONECT    1   28    6    6    2                                       
CONECT    2    1   29    3    3                                       
CONECT    3    2    2    5   31                                       
CONECT    4   28   29   29   32                                       
CONECT    5   30   30    3                                            
CONECT    6    1    1   30                                            
CONECT    7    8   33                                                 
CONECT    8    9    9    7   10                                       
CONECT    9    8    8                                                 
CONECT   10    8   11   12   34                                       
CONECT   11   10   35   36                                            
CONECT   12   10   13   37   38                                       
CONECT   13   12   14   39   40                                       
CONECT   14   13   15   20   41                                       
CONECT   15   16   14   42   43                                       
CONECT   16   15   17   44                                            
CONECT   17   18   18   16   19                                       
CONECT   18   17   17   45                                            
CONECT   19   17   46   47                                            
CONECT   20   14   21   48   49                                       
CONECT   21   20   23   22   50                                       
CONECT   22   21   27                                                 
CONECT   23   21   24   25   51                                       
CONECT   24   23   52                                                 
CONECT   25   23   27   26   53                                       
CONECT   26   25   54                                                 
CONECT   27   22   25   28   55                                       
CONECT   28   27    4    1                                            
CONECT   29    4    4    2                                            
CONECT   30    6    5    5   56                                       
CONECT   31    3   57   58                                            
CONECT   32    4                                                      
CONECT   33    7                                                      
CONECT   34   10                                                      
CONECT   35   11                                                      
CONECT   36   11                                                      
CONECT   37   12                                                      
CONECT   38   12                                                      
CONECT   39   13                                                      
CONECT   40   13                                                      
CONECT   41   14                                                      
CONECT   42   15                                                      
CONECT   43   15                                                      
CONECT   44   16                                                      
CONECT   45   18                                                      
CONECT   46   19                                                      
CONECT   47   19                                                      
CONECT   48   20                                                      
CONECT   49   20                                                      
CONECT   50   21                                                      
CONECT   51   23                                                      
CONECT   52   24                                                      
CONECT   53   25                                                      
CONECT   54   26                                                      
CONECT   55   27                                                      
CONECT   56   30                                                      
CONECT   57   31                                                      
CONECT   58   31                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
