COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  F   UNL     1      -1.059  -3.885   1.929  1.00  0.00           F  
HETATM    2  C   UNL     1      -0.586  -2.626   2.061  1.00  0.00           C  
HETATM    3  C   UNL     1       0.555  -2.391   2.805  1.00  0.00           C  
HETATM    4  C   UNL     1       1.040  -1.103   2.942  1.00  0.00           C  
HETATM    5  C   UNL     1       0.383  -0.044   2.333  1.00  0.00           C  
HETATM    6  O   UNL     1       0.862   1.221   2.469  1.00  0.00           O  
HETATM    7  C   UNL     1       2.071   1.507   1.923  1.00  0.00           C  
HETATM    8  C   UNL     1       2.644   2.758   2.135  1.00  0.00           C  
HETATM    9  C   UNL     1       3.860   3.047   1.586  1.00  0.00           C  
HETATM   10  C   UNL     1       4.515   2.063   0.811  1.00  0.00           C  
HETATM   11  N   UNL     1       5.705   2.131   0.184  1.00  0.00           N  
HETATM   12  C   UNL     1       6.100   1.096  -0.471  1.00  0.00           C  
HETATM   13  N   UNL     1       7.295   1.008  -1.166  1.00  0.00           N  
HETATM   14  C   UNL     1       7.612  -0.127  -1.820  1.00  0.00           C  
HETATM   15  O   UNL     1       6.852  -1.072  -1.799  1.00  0.00           O  
HETATM   16  C   UNL     1       8.912  -0.223  -2.576  1.00  0.00           C  
HETATM   17  C   UNL     1       9.982  -1.169  -2.026  1.00  0.00           C  
HETATM   18  C   UNL     1       9.215  -1.538  -3.298  1.00  0.00           C  
HETATM   19  S   UNL     1       4.908  -0.192  -0.357  1.00  0.00           S  
HETATM   20  C   UNL     1       3.877   0.830   0.643  1.00  0.00           C  
HETATM   21  N   UNL     1       2.693   0.594   1.202  1.00  0.00           N  
HETATM   22  C   UNL     1      -0.762  -0.275   1.586  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.245  -1.568   1.444  1.00  0.00           C  
HETATM   24  N   UNL     1      -2.400  -1.805   0.690  1.00  0.00           N  
HETATM   25  C   UNL     1      -3.310  -0.825   0.524  1.00  0.00           C  
HETATM   26  O   UNL     1      -3.179   0.232   1.111  1.00  0.00           O  
HETATM   27  C   UNL     1      -4.466  -1.034  -0.372  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.620  -2.246  -1.048  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.701  -2.435  -1.882  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.634  -1.426  -2.051  1.00  0.00           C  
HETATM   31  C   UNL     1      -6.489  -0.223  -1.386  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.414  -0.022  -0.542  1.00  0.00           C  
HETATM   33 CL   UNL     1      -5.234   1.489   0.293  1.00  0.00          Cl  
HETATM   34  C   UNL     1      -7.510   0.870  -1.577  1.00  0.00           C  
HETATM   35  C   UNL     1      -8.683   0.584  -2.517  1.00  0.00           C  
HETATM   36  C   UNL     1      -8.910   0.637  -1.004  1.00  0.00           C  
HETATM   37  C   UNL     1      -6.983   2.244  -1.545  1.00  0.00           C  
HETATM   38  N   UNL     1      -6.576   3.304  -1.521  1.00  0.00           N  
HETATM   39  H   UNL     1       1.068  -3.214   3.281  1.00  0.00           H  
HETATM   40  H   UNL     1       1.932  -0.922   3.524  1.00  0.00           H  
HETATM   41  H   UNL     1       2.127   3.496   2.730  1.00  0.00           H  
HETATM   42  H   UNL     1       4.316   4.014   1.743  1.00  0.00           H  
HETATM   43  H   UNL     1       7.903   1.763  -1.183  1.00  0.00           H  
HETATM   44  H   UNL     1       9.250   0.700  -3.049  1.00  0.00           H  
HETATM   45  H   UNL     1      11.024  -0.869  -2.136  1.00  0.00           H  
HETATM   46  H   UNL     1       9.745  -1.722  -1.117  1.00  0.00           H  
HETATM   47  H   UNL     1       8.474  -2.334  -3.225  1.00  0.00           H  
HETATM   48  H   UNL     1       9.752  -1.480  -4.244  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.274   0.549   1.112  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.546  -2.675   0.287  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.893  -3.034  -0.918  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.821  -3.372  -2.405  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.479  -1.580  -2.706  1.00  0.00           H  
HETATM   54  H   UNL     1      -9.064   1.414  -3.112  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.716  -0.394  -2.997  1.00  0.00           H  
HETATM   56  H   UNL     1      -9.092  -0.307  -0.489  1.00  0.00           H  
HETATM   57  H   UNL     1      -9.440   1.501  -0.604  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2   23    1    3    3                                       
CONECT    3    2    2    4   39                                       
CONECT    4    5    5    3   40                                       
CONECT    5   22    6    4    4                                       
CONECT    6    5    7                                                 
CONECT    7    8    6   21   21                                       
CONECT    8    9    9    7   41                                       
CONECT    9    8    8   10   42                                       
CONECT   10    9   20   20   11                                       
CONECT   11   10   12   12                                            
CONECT   12   11   11   19   13                                       
CONECT   13   12   14   43                                            
CONECT   14   13   16   15   15                                       
CONECT   15   14   14                                                 
CONECT   16   14   18   17   44                                       
CONECT   17   16   18   45   46                                       
CONECT   18   16   17   47   48                                       
CONECT   19   20   12                                                 
CONECT   20   10   10   21   19                                       
CONECT   21    7    7   20                                            
CONECT   22   23   23    5   49                                       
CONECT   23   24   22   22    2                                       
CONECT   24   25   23   50                                            
CONECT   25   27   26   26   24                                       
CONECT   26   25   25                                                 
CONECT   27   32   32   28   25                                       
CONECT   28   29   29   27   51                                       
CONECT   29   30   28   28   52                                       
CONECT   30   31   31   29   53                                       
CONECT   31   34   30   30   32                                       
CONECT   32   31   33   27   27                                       
CONECT   33   32                                                      
CONECT   34   35   36   37   31                                       
CONECT   35   36   34   54   55                                       
CONECT   36   35   34   56   57                                       
CONECT   37   34   38   38   38                                       
CONECT   38   37   37   37                                            
CONECT   39    3                                                      
CONECT   40    4                                                      
CONECT   41    8                                                      
CONECT   42    9                                                      
CONECT   43   13                                                      
CONECT   44   16                                                      
CONECT   45   17                                                      
CONECT   46   17                                                      
CONECT   47   18                                                      
CONECT   48   18                                                      
CONECT   49   22                                                      
CONECT   50   24                                                      
CONECT   51   28                                                      
CONECT   52   29                                                      
CONECT   53   30                                                      
CONECT   54   35                                                      
CONECT   55   35                                                      
CONECT   56   36                                                      
CONECT   57   36                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
