COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.415   0.240   7.267  1.00  0.00           C  
HETATM    2  C   UNL     1       2.453  -0.236   5.961  1.00  0.00           C  
HETATM    3  C   UNL     1       1.328  -0.828   5.399  1.00  0.00           C  
HETATM    4  C   UNL     1       0.173  -0.955   6.137  1.00  0.00           C  
HETATM    5  C   UNL     1       0.129  -0.477   7.452  1.00  0.00           C  
HETATM    6  C   UNL     1       1.264   0.123   8.011  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.102  -0.604   8.242  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.142  -0.141   9.511  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.331  -0.264  10.273  1.00  0.00           C  
HETATM   10  O   UNL     1      -2.371   0.197  11.540  1.00  0.00           O  
HETATM   11  O   UNL     1      -3.315  -0.786   9.785  1.00  0.00           O  
HETATM   12  C   UNL     1      -3.684  -0.068  12.036  1.00  0.00           C  
HETATM   13  O   UNL     1       3.592  -0.118   5.231  1.00  0.00           O  
HETATM   14  C   UNL     1       4.554   0.527   6.067  1.00  0.00           C  
HETATM   15  C   UNL     1       5.867   0.692   5.300  1.00  0.00           C  
HETATM   16  C   UNL     1       1.377  -1.342   3.983  1.00  0.00           C  
HETATM   17  C   UNL     1       0.951  -0.249   3.037  1.00  0.00           C  
HETATM   18  N   UNL     1       0.917  -0.482   1.710  1.00  0.00           N  
HETATM   19  O   UNL     1       0.639   0.839   3.470  1.00  0.00           O  
HETATM   20  C   UNL     1       0.504   0.580   0.790  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.147  -0.030  -0.422  1.00  0.00           C  
HETATM   22  C   UNL     1       1.730   1.387   0.359  1.00  0.00           C  
HETATM   23  C   UNL     1       2.307   2.124   1.568  1.00  0.00           C  
HETATM   24  C   UNL     1       2.787   0.440  -0.214  1.00  0.00           C  
HETATM   25  O   UNL     1       0.007  -1.208  -0.665  1.00  0.00           O  
HETATM   26  N   UNL     1      -0.903   0.731  -1.237  1.00  0.00           N  
HETATM   27  C   UNL     1      -1.634   0.115  -2.348  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.970   0.480  -3.650  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.077   0.621  -2.351  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.742   0.252  -1.050  1.00  0.00           C  
HETATM   31  O   UNL     1      -5.003   0.644  -0.806  1.00  0.00           O  
HETATM   32  O   UNL     1      -3.141  -0.395  -0.227  1.00  0.00           O  
HETATM   33  C   UNL     1      -1.033  -0.466  -4.820  1.00  0.00           C  
HETATM   34  O   UNL     1      -0.387   1.533  -3.756  1.00  0.00           O  
HETATM   35  S   UNL     1      -0.147   0.252  -6.230  1.00  0.00           S  
HETATM   36  C   UNL     1      -0.381  -1.064  -7.455  1.00  0.00           C  
HETATM   37  C   UNL     1       0.290  -0.674  -8.746  1.00  0.00           C  
HETATM   38  C   UNL     1       1.612  -1.019  -8.970  1.00  0.00           C  
HETATM   39  C   UNL     1       2.229  -0.661 -10.157  1.00  0.00           C  
HETATM   40  C   UNL     1       1.524   0.039 -11.118  1.00  0.00           C  
HETATM   41  C   UNL     1       0.204   0.383 -10.894  1.00  0.00           C  
HETATM   42  C   UNL     1      -0.414   0.021  -9.710  1.00  0.00           C  
HETATM   43  F   UNL     1       2.301  -1.704  -8.031  1.00  0.00           F  
HETATM   44 CL   UNL     1      -2.072   0.453  -9.431  1.00  0.00          Cl  
HETATM   45  H   UNL     1       3.291   0.702   7.697  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.698  -1.419   5.701  1.00  0.00           H  
HETATM   47  H   UNL     1       1.235   0.493   9.025  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.976  -1.067   7.809  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.268   0.321   9.944  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.765   0.289  13.062  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.418   0.444  11.414  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.872  -1.141  12.009  1.00  0.00           H  
HETATM   53  H   UNL     1       4.726  -0.078   6.957  1.00  0.00           H  
HETATM   54  H   UNL     1       4.179   1.507   6.362  1.00  0.00           H  
HETATM   55  H   UNL     1       6.601   1.184   5.938  1.00  0.00           H  
HETATM   56  H   UNL     1       6.241  -0.288   5.006  1.00  0.00           H  
HETATM   57  H   UNL     1       5.695   1.297   4.410  1.00  0.00           H  
HETATM   58  H   UNL     1       2.394  -1.654   3.744  1.00  0.00           H  
HETATM   59  H   UNL     1       0.703  -2.193   3.882  1.00  0.00           H  
HETATM   60  H   UNL     1       1.167  -1.353   1.364  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.205   1.238   1.291  1.00  0.00           H  
HETATM   62  H   UNL     1       1.439   2.110  -0.402  1.00  0.00           H  
HETATM   63  H   UNL     1       3.181   2.699   1.261  1.00  0.00           H  
HETATM   64  H   UNL     1       1.554   2.798   1.977  1.00  0.00           H  
HETATM   65  H   UNL     1       2.598   1.400   2.330  1.00  0.00           H  
HETATM   66  H   UNL     1       3.020  -0.330   0.519  1.00  0.00           H  
HETATM   67  H   UNL     1       2.404  -0.024  -1.121  1.00  0.00           H  
HETATM   68  H   UNL     1       3.690   1.004  -0.448  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.963   1.688  -1.089  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.629  -0.968  -2.229  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.082   1.705  -2.467  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.620   0.165  -3.179  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.429   0.408   0.028  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.074  -0.637  -5.094  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.570  -1.414  -4.545  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.447  -1.212  -7.630  1.00  0.00           H  
HETATM   77  H   UNL     1       0.057  -1.989  -7.082  1.00  0.00           H  
HETATM   78  H   UNL     1       3.260  -0.929 -10.333  1.00  0.00           H  
HETATM   79  H   UNL     1       2.005   0.319 -12.043  1.00  0.00           H  
HETATM   80  H   UNL     1      -0.345   0.931 -11.645  1.00  0.00           H  
CONECT    1    2    2    6   45                                       
CONECT    2    1    1    3   13                                       
CONECT    3    2    4    4   16                                       
CONECT    4    3    3    5   46                                       
CONECT    5    4    6    6    7                                       
CONECT    6    1    5    5   47                                       
CONECT    7    5    8    8   48                                       
CONECT    8    7    7    9   49                                       
CONECT    9    8   10   11   11                                       
CONECT   10    9   12                                                 
CONECT   11    9    9                                                 
CONECT   12   10   50   51   52                                       
CONECT   13    2   14                                                 
CONECT   14   13   15   53   54                                       
CONECT   15   14   55   56   57                                       
CONECT   16    3   17   58   59                                       
CONECT   17   16   18   19   19                                       
CONECT   18   17   20   60                                            
CONECT   19   17   17                                                 
CONECT   20   18   21   22   61                                       
CONECT   21   20   25   25   26                                       
CONECT   22   20   23   24   62                                       
CONECT   23   22   63   64   65                                       
CONECT   24   22   66   67   68                                       
CONECT   25   21   21                                                 
CONECT   26   21   27   69                                            
CONECT   27   26   28   29   70                                       
CONECT   28   27   33   34   34                                       
CONECT   29   27   30   71   72                                       
CONECT   30   29   31   32   32                                       
CONECT   31   30   73                                                 
CONECT   32   30   30                                                 
CONECT   33   28   35   74   75                                       
CONECT   34   28   28                                                 
CONECT   35   33   36                                                 
CONECT   36   35   37   76   77                                       
CONECT   37   36   38   38   42                                       
CONECT   38   37   37   39   43                                       
CONECT   39   38   40   40   78                                       
CONECT   40   39   39   41   79                                       
CONECT   41   40   42   42   80                                       
CONECT   42   37   41   41   44                                       
CONECT   43   38                                                      
CONECT   44   42                                                      
CONECT   45    1                                                      
CONECT   46    4                                                      
CONECT   47    6                                                      
CONECT   48    7                                                      
CONECT   49    8                                                      
CONECT   50   12                                                      
CONECT   51   12                                                      
CONECT   52   12                                                      
CONECT   53   14                                                      
CONECT   54   14                                                      
CONECT   55   15                                                      
CONECT   56   15                                                      
CONECT   57   15                                                      
CONECT   58   16                                                      
CONECT   59   16                                                      
CONECT   60   18                                                      
CONECT   61   20                                                      
CONECT   62   22                                                      
CONECT   63   23                                                      
CONECT   64   23                                                      
CONECT   65   23                                                      
CONECT   66   24                                                      
CONECT   67   24                                                      
CONECT   68   24                                                      
CONECT   69   26                                                      
CONECT   70   27                                                      
CONECT   71   29                                                      
CONECT   72   29                                                      
CONECT   73   31                                                      
CONECT   74   33                                                      
CONECT   75   33                                                      
CONECT   76   36                                                      
CONECT   77   36                                                      
CONECT   78   39                                                      
CONECT   79   40                                                      
CONECT   80   41                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
