COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.545  -3.106   0.780  1.00  0.00           C  
HETATM    2  S   UNL     1      -0.021   2.332   1.531  1.00  0.00           S  
HETATM    3  N   UNL     1      -2.431  -0.817   1.092  1.00  0.00           N  
HETATM    4  C   UNL     1      -2.684  -2.123   0.877  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.313   1.284   0.808  1.00  0.00           C  
HETATM    6  C   UNL     1       1.474   1.752   0.801  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.443   0.232   1.284  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.897  -3.232  -0.600  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.092  -0.204   1.178  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.690   1.566   1.469  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.638  -3.258   2.003  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.627  -4.369   1.640  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.337   0.310   0.074  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.210   1.285  -1.143  1.00  0.00           C  
HETATM   15  C   UNL     1       7.283  -0.255  -0.591  1.00  0.00           C  
HETATM   16  C   UNL     1       1.759   2.048  -0.520  1.00  0.00           C  
HETATM   17  N   UNL     1      -5.340   1.208   0.034  1.00  0.00           N  
HETATM   18  C   UNL     1      -6.489  -0.027  -1.831  1.00  0.00           C  
HETATM   19  N   UNL     1      -6.422  -1.122  -1.172  1.00  0.00           N  
HETATM   20  C   UNL     1       2.365   1.005   1.551  1.00  0.00           C  
HETATM   21  C   UNL     1       2.932   1.593  -1.095  1.00  0.00           C  
HETATM   22  O   UNL     1      -0.143   3.668   1.064  1.00  0.00           O  
HETATM   23  O   UNL     1       0.133   2.051   2.915  1.00  0.00           O  
HETATM   24  C   UNL     1      -7.330   2.327  -1.127  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.103   2.534  -2.019  1.00  0.00           C  
HETATM   26  C   UNL     1       5.848  -0.375  -0.075  1.00  0.00           C  
HETATM   27  O   UNL     1      -3.828  -2.508   0.762  1.00  0.00           O  
HETATM   28  O   UNL     1       4.976   0.393  -0.907  1.00  0.00           O  
HETATM   29  C   UNL     1       3.823   0.840  -0.345  1.00  0.00           C  
HETATM   30  O   UNL     1      -4.153  -0.435  -0.865  1.00  0.00           O  
HETATM   31  F   UNL     1      -0.253  -2.033  -0.924  1.00  0.00           F  
HETATM   32  F   UNL     1       0.036  -4.273  -0.584  1.00  0.00           F  
HETATM   33  F   UNL     1      -1.883  -3.504  -1.554  1.00  0.00           F  
HETATM   34  F   UNL     1       7.677   1.087  -0.567  1.00  0.00           F  
HETATM   35  F   UNL     1       8.137  -1.007   0.223  1.00  0.00           F  
HETATM   36  F   UNL     1       7.348  -0.736  -1.904  1.00  0.00           F  
HETATM   37 CL   UNL     1       0.642   2.990  -1.458  1.00  0.00          Cl  
HETATM   38  C   UNL     1       3.537   0.549   0.982  1.00  0.00           C  
HETATM   39  C   UNL     1       5.417  -1.843  -0.102  1.00  0.00           C  
HETATM   40  H   UNL     1      -1.361   1.415  -0.273  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.036   0.015   2.173  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.701  -0.289   2.191  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.413  -0.675   0.467  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.570   1.798   2.527  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.207   2.375   0.952  1.00  0.00           H  
HETATM   46  H   UNL     1       0.420  -3.448   1.824  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.865  -2.648   2.877  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.504  -4.489   2.276  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.219  -5.289   1.223  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.488   1.805   0.785  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.745  -0.042  -2.880  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.601  -1.966  -1.615  1.00  0.00           H  
HETATM   53  H   UNL     1       2.143   0.779   2.584  1.00  0.00           H  
HETATM   54  H   UNL     1       3.153   1.824  -2.126  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.268   2.064  -1.615  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.420   2.955  -0.242  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.387   3.299  -1.721  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.236   2.407  -3.094  1.00  0.00           H  
HETATM   59  H   UNL     1       5.798   0.000   0.948  1.00  0.00           H  
HETATM   60  H   UNL     1       4.232  -0.033   1.568  1.00  0.00           H  
HETATM   61  H   UNL     1       4.395  -1.928   0.267  1.00  0.00           H  
HETATM   62  H   UNL     1       5.468  -2.217  -1.124  1.00  0.00           H  
HETATM   63  H   UNL     1       6.082  -2.428   0.533  1.00  0.00           H  
CONECT    1    4    8   11   12                                       
CONECT    2    5    6   22   22                                       
CONECT    2   23   23                                                 
CONECT    3    4    7    9                                            
CONECT    4    1    3   27   27                                       
CONECT    5    2    9   10   40                                       
CONECT    6    2   16   16   20                                       
CONECT    7    3   10   13   41                                       
CONECT    8    1   31   32   33                                       
CONECT    9    3    5   42   43                                       
CONECT   10    5    7   44   45                                       
CONECT   11    1   12   46   47                                       
CONECT   12    1   11   48   49                                       
CONECT   13    7   17   30   30                                       
CONECT   14   17   18   24   25                                       
CONECT   15   26   34   35   36                                       
CONECT   16    6    6   21   37                                       
CONECT   17   13   14   50                                            
CONECT   18   14   19   19   51                                       
CONECT   19   18   18   52                                            
CONECT   20    6   38   38   53                                       
CONECT   21   16   29   29   54                                       
CONECT   22    2    2                                                 
CONECT   23    2    2                                                 
CONECT   24   14   25   55   56                                       
CONECT   25   14   24   57   58                                       
CONECT   26   15   28   39   59                                       
CONECT   27    4    4                                                 
CONECT   28   26   29                                                 
CONECT   29   21   21   28   38                                       
CONECT   30   13   13                                                 
CONECT   31    8                                                      
CONECT   32    8                                                      
CONECT   33    8                                                      
CONECT   34   15                                                      
CONECT   35   15                                                      
CONECT   36   15                                                      
CONECT   37   16                                                      
CONECT   38   20   20   29   60                                       
CONECT   39   26   61   62   63                                       
CONECT   40    5                                                      
CONECT   41    7                                                      
CONECT   42    9                                                      
CONECT   43    9                                                      
CONECT   44   10                                                      
CONECT   45   10                                                      
CONECT   46   11                                                      
CONECT   47   11                                                      
CONECT   48   12                                                      
CONECT   49   12                                                      
CONECT   50   17                                                      
CONECT   51   18                                                      
CONECT   52   19                                                      
CONECT   53   20                                                      
CONECT   54   21                                                      
CONECT   55   24                                                      
CONECT   56   24                                                      
CONECT   57   25                                                      
CONECT   58   25                                                      
CONECT   59   26                                                      
CONECT   60   38                                                      
CONECT   61   39                                                      
CONECT   62   39                                                      
CONECT   63   39                                                      
MASTER        0    0    0    0    0    0    0    0   63    0   63    0
END
