COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      46.318   1.442  25.628  1.00  0.00           O  
HETATM    2  O   UNL     1      45.540   3.240  23.636  1.00  0.00           O  
HETATM    3  O   UNL     1      47.316   4.176  21.597  1.00  0.00           O  
HETATM    4  O   UNL     1      44.333   3.470  25.996  1.00  0.00           O  
HETATM    5  O   UNL     1      45.047   5.665  22.689  1.00  0.00           O  
HETATM    6  O   UNL     1      44.778   4.615  20.247  1.00  0.00           O  
HETATM    7  O   UNL     1      43.573   0.959  25.854  1.00  0.00           O  
HETATM    8  O   UNL     1      41.819   2.765  26.618  1.00  0.00           O  
HETATM    9  O   UNL     1      42.848   5.326  27.452  1.00  0.00           O  
HETATM   10  O   UNL     1      43.517   5.404  24.681  1.00  0.00           O  
HETATM   11  O   UNL     1      43.779   8.053  23.450  1.00  0.00           O  
HETATM   12  O   UNL     1      43.088   6.485  21.181  1.00  0.00           O  
HETATM   13  O   UNL     1      42.978   5.818  18.437  1.00  0.00           O  
HETATM   14  O   UNL     1      42.677   3.215  19.395  1.00  0.00           O  
HETATM   15  O   UNL     1      41.364   1.128  17.989  1.00  0.00           O  
HETATM   16  O   UNL     1      40.980   0.184  20.575  1.00  0.00           O  
HETATM   17  O   UNL     1      40.436  -1.826  22.471  1.00  0.00           O  
HETATM   18  O   UNL     1      41.703   0.011  24.187  1.00  0.00           O  
HETATM   19  O   UNL     1      41.086   0.059  26.923  1.00  0.00           O  
HETATM   20  O   UNL     1      42.672   2.731  24.186  1.00  0.00           O  
HETATM   21  O   UNL     1      43.147   4.104  22.167  1.00  0.00           O  
HETATM   22  O   UNL     1      42.375   1.717  21.929  1.00  0.00           O  
HETATM   23  O   UNL     1      40.788   3.504  22.764  1.00  0.00           O  
HETATM   24  O   UNL     1      41.055   4.902  25.432  1.00  0.00           O  
HETATM   25  O   UNL     1      41.491   6.334  23.259  1.00  0.00           O  
HETATM   26  O   UNL     1      41.066   5.017  20.273  1.00  0.00           O  
HETATM   27  O   UNL     1      40.291   2.580  20.113  1.00  0.00           O  
HETATM   28  O   UNL     1      39.713   0.801  22.711  1.00  0.00           O  
HETATM   29  O   UNL     1      40.061   1.780  25.098  1.00  0.00           O  
HETATM   30  O   UNL     1      38.882   4.030  24.327  1.00  0.00           O  
HETATM   31  O   UNL     1      39.019   6.751  24.631  1.00  0.00           O  
HETATM   32  O   UNL     1      39.259   5.509  22.191  1.00  0.00           O  
HETATM   33  O   UNL     1      38.324   4.634  19.697  1.00  0.00           O  
HETATM   34  O   UNL     1      38.454   3.044  21.954  1.00  0.00           O  
HETATM   35  O   UNL     1      37.435   1.542  24.135  1.00  0.00           O  
HETATM   36  O   UNL     1      44.828   0.731  23.548  1.00  0.00           O  
HETATM   37  O   UNL     1      45.325   2.321  21.225  1.00  0.00           O  
HETATM   38  O   UNL     1      43.437   0.748  19.697  1.00  0.00           O  
HETATM   39  O   UNL     1      42.875  -0.924  22.039  1.00  0.00           O  
HETATM   40  P   UNL     1      42.259   3.000  22.747  1.00  0.00           P  
HETATM   41  W   UNL     1      44.902   1.870  24.840  1.00  0.00           W  
HETATM   42  W   UNL     1      45.594   3.888  21.844  1.00  0.00           W  
HETATM   43  W   UNL     1      42.757   4.346  26.051  1.00  0.00           W  
HETATM   44  W   UNL     1      43.436   6.388  23.051  1.00  0.00           W  
HETATM   45  W   UNL     1      42.940   5.008  19.907  1.00  0.00           W  
HETATM   46  W   UNL     1      41.865   1.466  19.547  1.00  0.00           W  
HETATM   47  W   UNL     1      41.330  -0.369  22.357  1.00  0.00           W  
HETATM   48  W   UNL     1      41.688   1.114  25.724  1.00  0.00           W  
HETATM   49  W   UNL     1      39.932   5.501  23.923  1.00  0.00           W  
HETATM   50  W   UNL     1      39.505   4.161  20.830  1.00  0.00           W  
HETATM   51  W   UNL     1      38.880   2.200  23.607  1.00  0.00           W  
HETATM   52 CO   UNL     1      44.378   0.506  21.520  1.00  0.00          Co  
CONECT    1   41   41                                                 
CONECT    2   41   42                                                 
CONECT    3   42   42                                                 
CONECT    4   41   43                                                 
CONECT    5   42   44                                                 
CONECT    6   42   45                                                 
CONECT    7   41   48                                                 
CONECT    8   43   48                                                 
CONECT    9   43   43                                                 
CONECT   10   43   44                                                 
CONECT   11   44   44                                                 
CONECT   12   44   45                                                 
CONECT   13   45   45                                                 
CONECT   14   45   46                                                 
CONECT   15   46   46                                                 
CONECT   16   46   47                                                 
CONECT   17   47   47                                                 
CONECT   18   47   48                                                 
CONECT   19   48   48                                                 
CONECT   20   40   40   41   43                                       
CONECT   20   48                                                      
CONECT   21   40   42   44   45                                       
CONECT   22   40   46   47   52                                       
CONECT   23   40   49   50   51                                       
CONECT   24   43   49                                                 
CONECT   25   44   49                                                 
CONECT   26   45   50                                                 
CONECT   27   46   50                                                 
CONECT   28   47   51                                                 
CONECT   29   48   51                                                 
CONECT   30   49   51                                                 
CONECT   31   49   49                                                 
CONECT   32   49   50                                                 
CONECT   33   50   50                                                 
CONECT   34   50   51                                                 
CONECT   35   51   51                                                 
CONECT   36   41   52                                                 
CONECT   37   42   52                                                 
CONECT   38   46   52                                                 
CONECT   39   47   52                                                 
CONECT   40   20   20   21   22                                       
CONECT   40   23                                                      
CONECT   41    1    1    2    4                                       
CONECT   41    7   20   36                                            
CONECT   42    2    3    3    5                                       
CONECT   42    6   21   37                                            
CONECT   43    4    8    9    9                                       
CONECT   43   10   20   24                                            
CONECT   44    5   10   11   11                                       
CONECT   44   12   21   25                                            
CONECT   45    6   12   13   13                                       
CONECT   45   14   21   26                                            
CONECT   46   14   15   15   16                                       
CONECT   46   22   27   38                                            
CONECT   47   16   17   17   18                                       
CONECT   47   22   28   39                                            
CONECT   48    7    8   18   19                                       
CONECT   48   19   20   29                                            
CONECT   49   23   24   25   30                                       
CONECT   49   31   31   32                                            
CONECT   50   23   26   27   32                                       
CONECT   50   33   33   34                                            
CONECT   51   23   28   29   30                                       
CONECT   51   34   35   35                                            
CONECT   52   22   36   37   38                                       
CONECT   52   39                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
