COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.690  -2.551  -0.514  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.073  -1.238  -0.263  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.749  -1.216   0.367  1.00  0.00           C  
HETATM    4  N   UNL     1      -2.178  -2.373   0.676  1.00  0.00           N  
HETATM    5  N   UNL     1      -3.988  -3.646  -0.138  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.778  -3.533   0.428  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.998   3.561  -0.386  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.744   3.559   0.212  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.126   2.373   0.545  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.761   1.161   0.283  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.033   1.166  -0.323  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.641   2.388  -0.653  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.696  -0.054  -0.598  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.653   4.871  -0.741  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.051   4.866   0.498  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.818  -0.001   1.247  1.00  0.00           C  
HETATM   17  C   UNL     1       0.263  -0.035   0.165  1.00  0.00           C  
HETATM   18  C   UNL     1       1.644  -0.011   0.822  1.00  0.00           C  
HETATM   19  C   UNL     1       2.725  -0.045  -0.260  1.00  0.00           C  
HETATM   20  C   UNL     1       4.107  -0.021   0.397  1.00  0.00           C  
HETATM   21  N   UNL     1      -2.140  -0.024   0.618  1.00  0.00           N  
HETATM   22  O   UNL     1      -2.195  -4.556   0.739  1.00  0.00           O  
HETATM   23  O   UNL     1      -5.786  -2.648  -1.033  1.00  0.00           O  
HETATM   24  O   UNL     1       5.114   0.064  -0.613  1.00  0.00           O  
HETATM   25  O   UNL     1       0.125  -1.229  -0.608  1.00  0.00           O  
HETATM   26  O   UNL     1       2.587  -1.239  -1.033  1.00  0.00           O  
HETATM   27  O   UNL     1       1.783   1.183   1.595  1.00  0.00           O  
HETATM   28  O   UNL     1       7.135  -1.280   0.396  1.00  0.00           O  
HETATM   29  O   UNL     1       7.518   0.337  -1.641  1.00  0.00           O  
HETATM   30  O   UNL     1       6.961   1.225   0.656  1.00  0.00           O  
HETATM   31  P   UNL     1       6.688   0.111  -0.280  1.00  0.00           P  
HETATM   32  H   UNL     1      -4.366  -4.527  -0.285  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.151   2.384   1.009  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.616   2.400  -1.117  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.671  -0.058  -1.063  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.369   5.156  -1.754  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.736   4.762  -0.684  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.328   5.641  -0.042  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.326   5.213   1.495  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.972   4.724   0.448  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.355   5.608  -0.241  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.709  -0.869   1.897  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.712   0.910   1.837  1.00  0.00           H  
HETATM   44  H   UNL     1       0.154   0.833  -0.485  1.00  0.00           H  
HETATM   45  H   UNL     1       1.753  -0.879   1.472  1.00  0.00           H  
HETATM   46  H   UNL     1       2.617   0.823  -0.910  1.00  0.00           H  
HETATM   47  H   UNL     1       4.180   0.844   1.057  1.00  0.00           H  
HETATM   48  H   UNL     1       4.249  -0.933   0.977  1.00  0.00           H  
HETATM   49  H   UNL     1       0.210  -2.043  -0.094  1.00  0.00           H  
HETATM   50  H   UNL     1       2.672  -2.053  -0.518  1.00  0.00           H  
HETATM   51  H   UNL     1       1.697   1.997   1.081  1.00  0.00           H  
HETATM   52  H   UNL     1       6.984  -2.055  -0.162  1.00  0.00           H  
HETATM   53  H   UNL     1       8.476   0.376  -1.516  1.00  0.00           H  
CONECT    1    5   23   23    2                                       
CONECT    2    3    1   13   13                                       
CONECT    3    4    4   21    2                                       
CONECT    4    6    3    3                                            
CONECT    5    6    1   32                                            
CONECT    6   22   22    4    5                                       
CONECT    7    8    8   12   14                                       
CONECT    8    9   15    7    7                                       
CONECT    9   10   10    8   33                                       
CONECT   10   21    9    9   11                                       
CONECT   11   10   13   12   12                                       
CONECT   12   11   11    7   34                                       
CONECT   13    2    2   11   35                                       
CONECT   14    7   36   37   38                                       
CONECT   15    8   39   40   41                                       
CONECT   16   17   21   42   43                                       
CONECT   17   25   18   16   44                                       
CONECT   18   27   17   19   45                                       
CONECT   19   18   20   26   46                                       
CONECT   20   19   24   47   48                                       
CONECT   21   16    3   10                                            
CONECT   22    6    6                                                 
CONECT   23    1    1                                                 
CONECT   24   20   31                                                 
CONECT   25   17   49                                                 
CONECT   26   19   50                                                 
CONECT   27   18   51                                                 
CONECT   28   31   52                                                 
CONECT   29   31   53                                                 
CONECT   30   31   31                                                 
CONECT   31   24   30   30   29                                       
CONECT   31   28                                                      
CONECT   32    5                                                      
CONECT   33    9                                                      
CONECT   34   12                                                      
CONECT   35   13                                                      
CONECT   36   14                                                      
CONECT   37   14                                                      
CONECT   38   14                                                      
CONECT   39   15                                                      
CONECT   40   15                                                      
CONECT   41   15                                                      
CONECT   42   16                                                      
CONECT   43   16                                                      
CONECT   44   17                                                      
CONECT   45   18                                                      
CONECT   46   19                                                      
CONECT   47   20                                                      
CONECT   48   20                                                      
CONECT   49   25                                                      
CONECT   50   26                                                      
CONECT   51   27                                                      
CONECT   52   28                                                      
CONECT   53   29                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
