COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       4.755   1.394   2.040  1.00  0.00           O  
HETATM    2  C   UNL     1       5.390   0.758   1.226  1.00  0.00           C  
HETATM    3  N   UNL     1       6.694   0.497   1.444  1.00  0.00           N  
HETATM    4  O   UNL     1       7.323   0.966   2.623  1.00  0.00           O  
HETATM    5  C   UNL     1       4.719   0.254  -0.025  1.00  0.00           C  
HETATM    6  C   UNL     1       5.154   1.110  -1.217  1.00  0.00           C  
HETATM    7  S   UNL     1       5.197  -1.472  -0.314  1.00  0.00           S  
HETATM    8  C   UNL     1       4.575  -2.289   1.181  1.00  0.00           C  
HETATM    9  O   UNL     1       4.471  -1.962  -1.434  1.00  0.00           O  
HETATM   10  O   UNL     1       6.616  -1.554  -0.318  1.00  0.00           O  
HETATM   11  C   UNL     1       3.201   0.342   0.139  1.00  0.00           C  
HETATM   12  C   UNL     1       2.522  -0.048  -1.176  1.00  0.00           C  
HETATM   13  N   UNL     1       1.077   0.163  -1.061  1.00  0.00           N  
HETATM   14  C   UNL     1       0.426   1.299  -1.366  1.00  0.00           C  
HETATM   15  O   UNL     1       0.954   2.312  -1.781  1.00  0.00           O  
HETATM   16  C   UNL     1      -1.020   1.141  -1.125  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.099   2.016  -1.280  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.373   1.600  -0.968  1.00  0.00           C  
HETATM   19  C   UNL     1       0.102  -0.832  -0.601  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.246  -0.156  -0.652  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.516  -0.573  -0.344  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.592   0.305  -0.496  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.965  -0.139  -0.161  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.774   0.646   0.665  1.00  0.00           C  
HETATM   25  F   UNL     1      -5.305   1.812   1.160  1.00  0.00           F  
HETATM   26  C   UNL     1      -5.456  -1.339  -0.674  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.736  -1.748  -0.365  1.00  0.00           C  
HETATM   28  C   UNL     1      -7.538  -0.966   0.457  1.00  0.00           C  
HETATM   29  C   UNL     1      -7.053   0.227   0.975  1.00  0.00           C  
HETATM   30  O   UNL     1      -8.799  -1.372   0.758  1.00  0.00           O  
HETATM   31  C   UNL     1      -9.569  -0.520   1.609  1.00  0.00           C  
HETATM   32  H   UNL     1       7.202  -0.012   0.793  1.00  0.00           H  
HETATM   33  H   UNL     1       8.258   0.730   2.690  1.00  0.00           H  
HETATM   34  H   UNL     1       6.236   1.047  -1.334  1.00  0.00           H  
HETATM   35  H   UNL     1       4.669   0.745  -2.122  1.00  0.00           H  
HETATM   36  H   UNL     1       4.867   2.147  -1.043  1.00  0.00           H  
HETATM   37  H   UNL     1       4.801  -3.354   1.134  1.00  0.00           H  
HETATM   38  H   UNL     1       5.053  -1.854   2.059  1.00  0.00           H  
HETATM   39  H   UNL     1       3.496  -2.149   1.248  1.00  0.00           H  
HETATM   40  H   UNL     1       2.881  -0.338   0.928  1.00  0.00           H  
HETATM   41  H   UNL     1       2.922   1.362   0.403  1.00  0.00           H  
HETATM   42  H   UNL     1       2.916   0.567  -1.985  1.00  0.00           H  
HETATM   43  H   UNL     1       2.720  -1.099  -1.390  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.932   3.019  -1.644  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.205   2.278  -1.087  1.00  0.00           H  
HETATM   46  H   UNL     1       0.113  -1.700  -1.260  1.00  0.00           H  
HETATM   47  H   UNL     1       0.330  -1.135   0.421  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.684  -1.576   0.020  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.834  -1.949  -1.313  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.118  -2.675  -0.766  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.679   0.833   1.613  1.00  0.00           H  
HETATM   52  H   UNL     1      -9.061  -0.407   2.566  1.00  0.00           H  
HETATM   53  H   UNL     1      -9.681   0.457   1.139  1.00  0.00           H  
HETATM   54  H   UNL     1     -10.553  -0.961   1.769  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    5    1    1    3                                       
CONECT    3    2    4   32                                            
CONECT    4    3   33                                                 
CONECT    5   11    7    6    2                                       
CONECT    6    5   34   35   36                                       
CONECT    7    8    9    9    5                                       
CONECT    7   10   10                                                 
CONECT    8    7   37   38   39                                       
CONECT    9    7    7                                                 
CONECT   10    7    7                                                 
CONECT   11   12    5   40   41                                       
CONECT   12   13   11   42   43                                       
CONECT   13   14   19   12                                            
CONECT   14   16   15   15   13                                       
CONECT   15   14   14                                                 
CONECT   16   17   17   20   14                                       
CONECT   17   18   16   16   44                                       
CONECT   18   22   22   17   45                                       
CONECT   19   20   13   46   47                                       
CONECT   20   21   21   16   19                                       
CONECT   21   22   20   20   48                                       
CONECT   22   23   18   18   21                                       
CONECT   23   26   26   24   22                                       
CONECT   24   29   29   23   25                                       
CONECT   25   24                                                      
CONECT   26   27   23   23   49                                       
CONECT   27   28   28   26   50                                       
CONECT   28   30   27   27   29                                       
CONECT   29   28   24   24   51                                       
CONECT   30   31   28                                                 
CONECT   31   30   52   53   54                                       
CONECT   32    3                                                      
CONECT   33    4                                                      
CONECT   34    6                                                      
CONECT   35    6                                                      
CONECT   36    6                                                      
CONECT   37    8                                                      
CONECT   38    8                                                      
CONECT   39    8                                                      
CONECT   40   11                                                      
CONECT   41   11                                                      
CONECT   42   12                                                      
CONECT   43   12                                                      
CONECT   44   17                                                      
CONECT   45   18                                                      
CONECT   46   19                                                      
CONECT   47   19                                                      
CONECT   48   21                                                      
CONECT   49   26                                                      
CONECT   50   27                                                      
CONECT   51   29                                                      
CONECT   52   31                                                      
CONECT   53   31                                                      
CONECT   54   31                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
