COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       3.051  38.700  -2.343  1.00  0.00           O  
HETATM    2  B   UNL     1       6.008  44.413  -4.849  1.00  0.00           B  
HETATM    3  B   UNL     1       4.930  45.209  -3.657  1.00  0.00           B  
HETATM    4  B   UNL     1       5.876  43.767  -3.189  1.00  0.00           B  
HETATM    5  B   UNL     1       5.950  46.176  -4.743  1.00  0.00           B  
HETATM    6  B   UNL     1       7.512  45.325  -4.930  1.00  0.00           B  
HETATM    7  B   UNL     1       7.461  43.825  -3.964  1.00  0.00           B  
HETATM    8  B   UNL     1       7.267  44.319  -2.222  1.00  0.00           B  
HETATM    9  B   UNL     1       8.274  45.300  -3.295  1.00  0.00           B  
HETATM   10  C   UNL     1       7.072  46.024  -2.249  1.00  0.00           C1+
HETATM   11  B   UNL     1       7.366  46.684  -3.844  1.00  0.00           B  
HETATM   12  C   UNL     1       5.782  46.585  -3.099  1.00  0.00           C2+
HETATM   13  C   UNL     1       5.034  47.899  -2.828  1.00  0.00           C  
HETATM   14  C   UNL     1       5.651  49.196  -3.361  1.00  0.00           C  
HETATM   15  C   UNL     1       4.869  50.434  -2.938  1.00  0.00           C  
HETATM   16  S   UNL     1       3.177  50.536  -3.627  1.00  0.00           S  
HETATM   17  O   UNL     1       2.709  51.981  -3.321  1.00  0.00           O  
HETATM   18  O   UNL     1       3.296  50.176  -5.077  1.00  0.00           O  
HETATM   19  N   UNL     1       2.260  49.686  -2.731  1.00  0.00           N  
HETATM   20  S   UNL     1       1.817  39.495  -2.531  1.00  0.00           S  
HETATM   21  O   UNL     1       1.133  39.265  -3.830  1.00  0.00           O  
HETATM   22  N   UNL     1       0.796  39.341  -1.311  1.00  0.00           N  
HETATM   23  C   UNL     1       2.255  41.216  -2.747  1.00  0.00           C  
HETATM   24  C   UNL     1       2.791  41.857  -1.559  1.00  0.00           C  
HETATM   25  C   UNL     1       2.819  43.368  -1.909  1.00  0.00           C  
HETATM   26  C   UNL     1       3.605  44.171  -0.853  1.00  0.00           C2+
HETATM   27  C   UNL     1       5.032  43.739  -0.162  1.00  0.00           C1+
HETATM   28  B   UNL     1       5.082  43.956   1.489  1.00  0.00           B  
HETATM   29  B   UNL     1       4.974  45.693   1.707  1.00  0.00           B  
HETATM   30  B   UNL     1       6.054  45.028   0.409  1.00  0.00           B  
HETATM   31  B   UNL     1       5.042  46.406   0.061  1.00  0.00           B  
HETATM   32  B   UNL     1       3.519  46.238   0.938  1.00  0.00           B  
HETATM   33  B   UNL     1       3.573  45.844  -0.828  1.00  0.00           B  
HETATM   34 CO   UNL     1       5.404  45.102  -1.600  1.00  0.00          Co  
HETATM   35  B   UNL     1       3.493  44.744   1.913  1.00  0.00           B  
HETATM   36  B   UNL     1       3.587  43.446   0.751  1.00  0.00           B  
HETATM   37  B   UNL     1       2.598  44.825   0.319  1.00  0.00           B  
HETATM   38  H   UNL     1       4.033  47.805  -3.274  1.00  0.00           H  
HETATM   39  H   UNL     1       4.941  48.004  -1.737  1.00  0.00           H  
HETATM   40  H   UNL     1       6.679  49.281  -2.978  1.00  0.00           H  
HETATM   41  H   UNL     1       5.672  49.151  -4.460  1.00  0.00           H  
HETATM   42  H   UNL     1       4.793  50.434  -1.841  1.00  0.00           H  
HETATM   43  H   UNL     1       5.428  51.322  -3.267  1.00  0.00           H  
HETATM   44  H   UNL     1       1.324  49.721  -3.082  1.00  0.00           H  
HETATM   45  H   UNL     1       2.580  48.739  -2.730  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.018  39.895  -1.485  1.00  0.00           H  
HETATM   47  H   UNL     1       0.532  38.381  -1.217  1.00  0.00           H  
HETATM   48  H   UNL     1       3.012  41.280  -3.543  1.00  0.00           H  
HETATM   49  H   UNL     1       1.352  41.764  -3.055  1.00  0.00           H  
HETATM   50  H   UNL     1       2.141  41.671  -0.691  1.00  0.00           H  
HETATM   51  H   UNL     1       3.805  41.489  -1.343  1.00  0.00           H  
HETATM   52  H   UNL     1       3.299  43.500  -2.890  1.00  0.00           H  
HETATM   53  H   UNL     1       1.787  43.745  -1.952  1.00  0.00           H  
CONECT    1   20   20                                                 
CONECT    2    3    4    5    6                                       
CONECT    2    7                                                      
CONECT    3    2    4    5   12                                       
CONECT    3   34                                                      
CONECT    4    2    3    7    8                                       
CONECT    4   34                                                      
CONECT    5    2    3    6   11                                       
CONECT    5   12                                                      
CONECT    6    2    5    7   11                                       
CONECT    6    9                                                      
CONECT    7    4    6    8    9                                       
CONECT    7    2                                                      
CONECT    8    4    9   10   34                                       
CONECT    8    7                                                      
CONECT    9    8   11   10    7                                       
CONECT    9    6                                                      
CONECT   10    8   12   34   11                                       
CONECT   10    9                                                      
CONECT   11    5    6    9   10                                       
CONECT   11   12                                                      
CONECT   12    3    5   10   13                                       
CONECT   12   34   11                                                 
CONECT   13   12   14   38   39                                       
CONECT   14   13   15   40   41                                       
CONECT   15   14   16   42   43                                       
CONECT   16   15   17   17   18                                       
CONECT   16   18   19                                                 
CONECT   17   16   16                                                 
CONECT   18   16   16                                                 
CONECT   19   16   44   45                                            
CONECT   20    1    1   21   21                                       
CONECT   20   22   23                                                 
CONECT   21   20   20                                                 
CONECT   22   20   46   47                                            
CONECT   23   20   24   48   49                                       
CONECT   24   23   25   50   51                                       
CONECT   25   24   26   52   53                                       
CONECT   26   25   27   33   34                                       
CONECT   26   37   36                                                 
CONECT   27   26   28   30   34                                       
CONECT   27   36                                                      
CONECT   28   27   29   36   30                                       
CONECT   28   35                                                      
CONECT   29   28   32   35   31                                       
CONECT   29   30                                                      
CONECT   30   27   31   34   29                                       
CONECT   30   28                                                      
CONECT   31   30   32   34   29                                       
CONECT   31   33                                                      
CONECT   32   29   31   35   33                                       
CONECT   32   37                                                      
CONECT   33   26   34   32   37                                       
CONECT   33   31                                                      
CONECT   34    3    4    8   10                                       
CONECT   34   12   26   27   30                                       
CONECT   34   31   33                                                 
CONECT   35   29   32   36   37                                       
CONECT   35   28                                                      
CONECT   36   27   28   35   37                                       
CONECT   36   26                                                      
CONECT   37   26   36   33   32                                       
CONECT   37   35                                                      
CONECT   38   13                                                      
CONECT   39   13                                                      
CONECT   40   14                                                      
CONECT   41   14                                                      
CONECT   42   15                                                      
CONECT   43   15                                                      
CONECT   44   19                                                      
CONECT   45   19                                                      
CONECT   46   22                                                      
CONECT   47   22                                                      
CONECT   48   23                                                      
CONECT   49   23                                                      
CONECT   50   24                                                      
CONECT   51   24                                                      
CONECT   52   25                                                      
CONECT   53   25                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
