COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -5.830  -4.039   0.001  1.00  0.00           O  
HETATM    2  C   UNL     1      -5.280  -2.950   0.003  1.00  0.00           C  
HETATM    3  N   UNL     1      -6.029  -1.832   0.013  1.00  0.00           N  
HETATM    4  C   UNL     1      -7.490  -1.931   0.022  1.00  0.00           C  
HETATM    5  N   UNL     1      -3.951  -2.891   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -3.316  -1.725   0.002  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.048  -0.535   0.008  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.428  -0.603   0.016  1.00  0.00           C  
HETATM    9  N   UNL     1      -6.183   0.543   0.028  1.00  0.00           N  
HETATM   10  C   UNL     1      -6.527   1.172   1.304  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.874   2.556   1.384  1.00  0.00           C  
HETATM   12  S   UNL     1      -6.448   3.560  -0.017  1.00  0.00           S  
HETATM   13  O   UNL     1      -5.670   4.748  -0.073  1.00  0.00           O  
HETATM   14  O   UNL     1      -7.864   3.659   0.044  1.00  0.00           O  
HETATM   15  C   UNL     1      -5.997   2.503  -1.424  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.633   1.128  -1.236  1.00  0.00           C  
HETATM   17  O   UNL     1      -1.964  -1.689   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1      -1.281  -2.944  -0.005  1.00  0.00           C  
HETATM   19  C   UNL     1       0.207  -2.707  -0.008  1.00  0.00           C  
HETATM   20  C   UNL     1       0.885  -2.590  -1.207  1.00  0.00           C  
HETATM   21  C   UNL     1       2.251  -2.372  -1.212  1.00  0.00           C  
HETATM   22  F   UNL     1       2.913  -2.257  -2.385  1.00  0.00           F  
HETATM   23  C   UNL     1       2.942  -2.272  -0.012  1.00  0.00           C  
HETATM   24  C   UNL     1       2.258  -2.390   1.191  1.00  0.00           C  
HETATM   25  F   UNL     1       2.926  -2.292   2.361  1.00  0.00           F  
HETATM   26  C   UNL     1       0.891  -2.603   1.190  1.00  0.00           C  
HETATM   27  O   UNL     1       4.285  -2.058  -0.014  1.00  0.00           O  
HETATM   28  C   UNL     1       4.727  -0.773  -0.005  1.00  0.00           C  
HETATM   29  C   UNL     1       6.088  -0.507  -0.007  1.00  0.00           C  
HETATM   30  C   UNL     1       6.535   0.800   0.001  1.00  0.00           C  
HETATM   31  C   UNL     1       8.014   1.090  -0.001  1.00  0.00           C  
HETATM   32  F   UNL     1       8.725  -0.114  -0.012  1.00  0.00           F  
HETATM   33  F   UNL     1       8.341   1.836  -1.139  1.00  0.00           F  
HETATM   34  F   UNL     1       8.348   1.819   1.146  1.00  0.00           F  
HETATM   35  C   UNL     1       5.626   1.843   0.011  1.00  0.00           C  
HETATM   36 CL   UNL     1       6.191   3.485   0.021  1.00  0.00          Cl  
HETATM   37  C   UNL     1       4.268   1.580   0.013  1.00  0.00           C  
HETATM   38  C   UNL     1       3.816   0.275  -0.001  1.00  0.00           C  
HETATM   39  H   UNL     1      -7.864  -1.884  -1.001  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.787  -2.878   0.473  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.907  -1.106   0.600  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.545   0.421   0.010  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.609   1.276   1.378  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.165   0.552   2.124  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.157   3.039   2.319  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.790   2.451   1.340  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.360   2.950  -2.350  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.913   2.401  -1.467  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.342   0.477  -2.061  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.718   1.229  -1.219  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.558  -3.512   0.883  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.561  -3.506  -0.896  1.00  0.00           H  
HETATM   53  H   UNL     1       0.347  -2.668  -2.140  1.00  0.00           H  
HETATM   54  H   UNL     1       0.357  -2.691   2.125  1.00  0.00           H  
HETATM   55  H   UNL     1       6.798  -1.321  -0.015  1.00  0.00           H  
HETATM   56  H   UNL     1       3.560   2.395   0.021  1.00  0.00           H  
HETATM   57  H   UNL     1       2.756   0.069   0.000  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3    1    1    5                                       
CONECT    3    4    8    2                                            
CONECT    4    3   39   40   41                                       
CONECT    5    2    6    6                                            
CONECT    6    7    5    5   17                                       
CONECT    7    8    8    6   42                                       
CONECT    8    9    3    7    7                                       
CONECT    9   16    8   10                                            
CONECT   10    9   11   43   44                                       
CONECT   11   12   10   45   46                                       
CONECT   12   15   14   14   13                                       
CONECT   12   13   11                                                 
CONECT   13   12   12                                                 
CONECT   14   12   12                                                 
CONECT   15   16   12   47   48                                       
CONECT   16   15    9   49   50                                       
CONECT   17    6   18                                                 
CONECT   18   17   19   51   52                                       
CONECT   19   18   20   20   26                                       
CONECT   20   19   19   21   53                                       
CONECT   21   20   22   23   23                                       
CONECT   22   21                                                      
CONECT   23   21   21   24   27                                       
CONECT   24   26   26   23   25                                       
CONECT   25   24                                                      
CONECT   26   19   24   24   54                                       
CONECT   27   23   28                                                 
CONECT   28   38   27   29   29                                       
CONECT   29   28   28   30   55                                       
CONECT   30   35   35   29   31                                       
CONECT   31   30   33   32   34                                       
CONECT   32   31                                                      
CONECT   33   31                                                      
CONECT   34   31                                                      
CONECT   35   37   36   30   30                                       
CONECT   36   35                                                      
CONECT   37   38   38   35   56                                       
CONECT   38   37   37   28   57                                       
CONECT   39    4                                                      
CONECT   40    4                                                      
CONECT   41    4                                                      
CONECT   42    7                                                      
CONECT   43   10                                                      
CONECT   44   10                                                      
CONECT   45   11                                                      
CONECT   46   11                                                      
CONECT   47   15                                                      
CONECT   48   15                                                      
CONECT   49   16                                                      
CONECT   50   16                                                      
CONECT   51   18                                                      
CONECT   52   18                                                      
CONECT   53   20                                                      
CONECT   54   26                                                      
CONECT   55   29                                                      
CONECT   56   37                                                      
CONECT   57   38                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
