COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.040  -0.171  -0.281  1.00  0.00           C  
HETATM    2  C   UNL     1       3.521  -1.432  -0.384  1.00  0.00           C  
HETATM    3  C   UNL     1       4.791  -1.458   0.202  1.00  0.00           C  
HETATM    4  N   UNL     1       5.064  -0.255   0.642  1.00  0.00           N  
HETATM    5  N   UNL     1       3.975   0.575   0.349  1.00  0.00           N  
HETATM    6  C   UNL     1       3.872   1.939   0.655  1.00  0.00           C  
HETATM    7  C   UNL     1       2.687   2.450   1.168  1.00  0.00           C  
HETATM    8  C   UNL     1       2.589   3.795   1.469  1.00  0.00           C  
HETATM    9  C   UNL     1       3.670   4.632   1.259  1.00  0.00           C  
HETATM   10  C   UNL     1       4.851   4.126   0.748  1.00  0.00           C  
HETATM   11  C   UNL     1       4.957   2.782   0.452  1.00  0.00           C  
HETATM   12  C   UNL     1       5.690  -2.662   0.309  1.00  0.00           C  
HETATM   13  F   UNL     1       6.511  -2.734  -0.821  1.00  0.00           F  
HETATM   14  F   UNL     1       6.484  -2.551   1.456  1.00  0.00           F  
HETATM   15  F   UNL     1       4.910  -3.821   0.393  1.00  0.00           F  
HETATM   16  C   UNL     1       1.705   0.315  -0.784  1.00  0.00           C  
HETATM   17  C   UNL     1       1.385  -0.362  -2.120  1.00  0.00           C  
HETATM   18  C   UNL     1       0.002   0.089  -2.595  1.00  0.00           C  
HETATM   19  N   UNL     1      -1.005  -0.272  -1.589  1.00  0.00           N  
HETATM   20  C   UNL     1      -0.745   0.403  -0.311  1.00  0.00           C  
HETATM   21  C   UNL     1       0.616  -0.038   0.233  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.361   0.020  -2.072  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.430  -0.475  -1.063  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.629   0.456  -1.340  1.00  0.00           C  
HETATM   25  N   UNL     1      -4.097   1.674  -1.980  1.00  0.00           N  
HETATM   26  C   UNL     1      -2.628   1.546  -2.086  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.311   0.813  -0.045  1.00  0.00           C  
HETATM   28  N   UNL     1      -6.168  -0.056   0.527  1.00  0.00           N  
HETATM   29  C   UNL     1      -6.856   0.234   1.776  1.00  0.00           C  
HETATM   30  C   UNL     1      -7.767  -0.920   2.251  1.00  0.00           C  
HETATM   31  S   UNL     1      -7.004  -2.360   1.392  1.00  0.00           S  
HETATM   32  C   UNL     1      -6.483  -1.368  -0.072  1.00  0.00           C  
HETATM   33  O   UNL     1      -5.089   1.882   0.482  1.00  0.00           O  
HETATM   34  H   UNL     1       3.014  -2.270  -0.838  1.00  0.00           H  
HETATM   35  H   UNL     1       1.843   1.797   1.331  1.00  0.00           H  
HETATM   36  H   UNL     1       1.668   4.193   1.867  1.00  0.00           H  
HETATM   37  H   UNL     1       3.591   5.683   1.495  1.00  0.00           H  
HETATM   38  H   UNL     1       5.693   4.783   0.585  1.00  0.00           H  
HETATM   39  H   UNL     1       5.882   2.386   0.057  1.00  0.00           H  
HETATM   40  H   UNL     1       1.740   1.395  -0.922  1.00  0.00           H  
HETATM   41  H   UNL     1       2.134  -0.080  -2.859  1.00  0.00           H  
HETATM   42  H   UNL     1       1.390  -1.444  -1.990  1.00  0.00           H  
HETATM   43  H   UNL     1       0.001   1.169  -2.738  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.236  -0.402  -3.539  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.742   1.482  -0.465  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.524   0.140   0.404  1.00  0.00           H  
HETATM   47  H   UNL     1       0.609  -1.115   0.399  1.00  0.00           H  
HETATM   48  H   UNL     1       0.816   0.475   1.173  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.524  -0.414  -3.058  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.695  -1.514  -1.261  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.078  -0.355  -0.038  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.334  -0.037  -2.010  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.514   1.817  -2.887  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.143   2.024  -1.235  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.276   1.984  -3.020  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.112   0.434   2.547  1.00  0.00           H  
HETATM   57  H   UNL     1      -7.465   1.128   1.641  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.717  -1.039   3.333  1.00  0.00           H  
HETATM   59  H   UNL     1      -8.795  -0.768   1.922  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.296  -1.280  -0.792  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.598  -1.802  -0.538  1.00  0.00           H  
CONECT    1    2    2    5   16                                       
CONECT    2    1    1    3   34                                       
CONECT    3    2    4    4   12                                       
CONECT    4    3    3    5                                            
CONECT    5    1    4    6                                            
CONECT    6    5    7    7   11                                       
CONECT    7    6    6    8   35                                       
CONECT    8    7    9    9   36                                       
CONECT    9    8    8   10   37                                       
CONECT   10    9   11   11   38                                       
CONECT   11    6   10   10   39                                       
CONECT   12    3   13   14   15                                       
CONECT   13   12                                                      
CONECT   14   12                                                      
CONECT   15   12                                                      
CONECT   16    1   17   21   40                                       
CONECT   17   16   18   41   42                                       
CONECT   18   17   19   43   44                                       
CONECT   19   18   20   22                                            
CONECT   20   19   21   45   46                                       
CONECT   21   16   20   47   48                                       
CONECT   22   19   23   26   49                                       
CONECT   23   22   24   50   51                                       
CONECT   24   23   25   27   52                                       
CONECT   25   24   26   53                                            
CONECT   26   22   25   54   55                                       
CONECT   27   24   28   33   33                                       
CONECT   28   27   29   32                                            
CONECT   29   28   30   56   57                                       
CONECT   30   29   31   58   59                                       
CONECT   31   30   32                                                 
CONECT   32   28   31   60   61                                       
CONECT   33   27   27                                                 
CONECT   34    2                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38   10                                                      
CONECT   39   11                                                      
CONECT   40   16                                                      
CONECT   41   17                                                      
CONECT   42   17                                                      
CONECT   43   18                                                      
CONECT   44   18                                                      
CONECT   45   20                                                      
CONECT   46   20                                                      
CONECT   47   21                                                      
CONECT   48   21                                                      
CONECT   49   22                                                      
CONECT   50   23                                                      
CONECT   51   23                                                      
CONECT   52   24                                                      
CONECT   53   25                                                      
CONECT   54   26                                                      
CONECT   55   26                                                      
CONECT   56   29                                                      
CONECT   57   29                                                      
CONECT   58   30                                                      
CONECT   59   30                                                      
CONECT   60   32                                                      
CONECT   61   32                                                      
MASTER        0    0    0    0    0    0    0    0   61    0   61    0
END
