COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.584   5.583  -0.978  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.308   3.828   0.482  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.653   3.379  -0.026  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.481   2.716   0.746  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.836   2.292   0.242  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.937   1.351  -2.067  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.793   0.014  -0.140  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.188  -2.971  -0.098  1.00  0.00           C  
HETATM    9  O   UNL     1      -3.839  -3.998  -0.137  1.00  0.00           O  
HETATM   10  C   UNL     1      -1.769  -2.991   0.320  1.00  0.00           C  
HETATM   11  C   UNL     1       0.191  -4.165   1.031  1.00  0.00           C  
HETATM   12  C   UNL     1       0.879  -2.959   1.142  1.00  0.00           C  
HETATM   13  O   UNL     1       2.172  -3.010   1.555  1.00  0.00           O  
HETATM   14  C   UNL     1       3.300  -1.121   0.624  1.00  0.00           C  
HETATM   15  C   UNL     1       5.652   0.285   1.834  1.00  0.00           C  
HETATM   16  C   UNL     1       5.623  -0.124   0.384  1.00  0.00           C  
HETATM   17  C   UNL     1       6.733   0.162  -0.396  1.00  0.00           C  
HETATM   18  C   UNL     1       6.755  -0.189  -1.731  1.00  0.00           C  
HETATM   19  C   UNL     1       5.661  -0.826  -2.287  1.00  0.00           C  
HETATM   20  C   UNL     1       4.559  -1.110  -1.508  1.00  0.00           C  
HETATM   21  C   UNL     1       4.532  -0.763  -0.161  1.00  0.00           C  
HETATM   22  C   UNL     1       2.054  -0.532  -0.033  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.069   0.482   0.431  1.00  0.00           C  
HETATM   24  O   UNL     1      -0.479   4.204  -0.617  1.00  0.00           O  
HETATM   25  F   UNL     1      -3.013   3.676  -1.297  1.00  0.00           F  
HETATM   26  C   UNL     1      -4.724   1.012  -0.589  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.146   0.415  -0.736  1.00  0.00           C  
HETATM   28  S   UNL     1      -5.365  -1.659  -0.700  1.00  0.00           S  
HETATM   29  O   UNL     1      -5.935  -2.630   0.171  1.00  0.00           O  
HETATM   30  O   UNL     1      -5.511  -1.775  -2.109  1.00  0.00           O  
HETATM   31  N   UNL     1      -3.734  -1.778  -0.438  1.00  0.00           N  
HETATM   32  C   UNL     1      -1.126  -4.189   0.627  1.00  0.00           C  
HETATM   33  C   UNL     1       3.160  -2.662   0.579  1.00  0.00           C  
HETATM   34  C   UNL     1       3.394  -0.729   2.091  1.00  0.00           C  
HETATM   35  C   UNL     1       4.220   0.532   2.304  1.00  0.00           C  
HETATM   36 CL   UNL     1       8.149   0.167  -2.704  1.00  0.00          Cl  
HETATM   37  N   UNL     1       0.927  -0.499   0.941  1.00  0.00           N  
HETATM   38  C   UNL     1       0.382   1.929   0.528  1.00  0.00           C  
HETATM   39  C   UNL     1       1.701   2.080   1.309  1.00  0.00           C  
HETATM   40  C   UNL     1       1.439   3.270   2.250  1.00  0.00           C  
HETATM   41  O   UNL     1       0.025   3.353   2.440  1.00  0.00           O  
HETATM   42  C   UNL     1      -0.647   2.749   1.324  1.00  0.00           C  
HETATM   43  C   UNL     1       0.253  -1.759   0.830  1.00  0.00           C  
HETATM   44  C   UNL     1      -1.062  -1.782   0.403  1.00  0.00           C  
HETATM   45  H   UNL     1       0.076   5.789  -1.821  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.612   5.808  -1.259  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.294   6.204  -0.130  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.461   4.716   1.113  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.194   2.472   1.760  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.492   2.113   1.095  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.257   3.087  -0.374  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.178   2.064  -2.389  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.859   0.442  -2.663  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.926   1.789  -2.201  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.865   0.023   0.949  1.00  0.00           H  
HETATM   56  H   UNL     1       0.695  -5.090   1.265  1.00  0.00           H  
HETATM   57  H   UNL     1       6.096  -0.510   2.428  1.00  0.00           H  
HETATM   58  H   UNL     1       6.231   1.199   1.943  1.00  0.00           H  
HETATM   59  H   UNL     1       7.585   0.661   0.042  1.00  0.00           H  
HETATM   60  H   UNL     1       5.670  -1.102  -3.332  1.00  0.00           H  
HETATM   61  H   UNL     1       3.709  -1.608  -1.949  1.00  0.00           H  
HETATM   62  H   UNL     1       2.256   0.479  -0.373  1.00  0.00           H  
HETATM   63  H   UNL     1       1.755  -1.153  -0.877  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.287   0.249  -0.608  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.974   0.381   1.035  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.732   0.590  -0.451  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.911  -0.287  -0.406  1.00  0.00           H  
HETATM   68  H   UNL     1      -7.406   1.420  -0.403  1.00  0.00           H  
HETATM   69  H   UNL     1      -7.082   0.399  -1.824  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.164  -1.001  -0.546  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.654  -5.128   0.549  1.00  0.00           H  
HETATM   72  H   UNL     1       4.113  -3.123   0.830  1.00  0.00           H  
HETATM   73  H   UNL     1       2.835  -2.972  -0.411  1.00  0.00           H  
HETATM   74  H   UNL     1       2.392  -0.578   2.496  1.00  0.00           H  
HETATM   75  H   UNL     1       3.861  -1.552   2.645  1.00  0.00           H  
HETATM   76  H   UNL     1       4.227   0.791   3.363  1.00  0.00           H  
HETATM   77  H   UNL     1       3.799   1.357   1.731  1.00  0.00           H  
HETATM   78  H   UNL     1       0.512   2.340  -0.477  1.00  0.00           H  
HETATM   79  H   UNL     1       1.902   1.184   1.892  1.00  0.00           H  
HETATM   80  H   UNL     1       2.522   2.305   0.632  1.00  0.00           H  
HETATM   81  H   UNL     1       1.933   3.099   3.204  1.00  0.00           H  
HETATM   82  H   UNL     1       1.807   4.187   1.793  1.00  0.00           H  
HETATM   83  H   UNL     1      -1.408   2.066   1.719  1.00  0.00           H  
HETATM   84  H   UNL     1      -1.578  -0.882   0.108  1.00  0.00           H  
CONECT    1   24   45   46   47                                       
CONECT    2   24    3   42   48                                       
CONECT    3    2    4    4   25                                       
CONECT    4    3    3    5   49                                       
CONECT    5    4   26   50   51                                       
CONECT    6   26   52   53   54                                       
CONECT    7   27   28   26   55                                       
CONECT    8    9    9   31   10                                       
CONECT    9    8    8                                                 
CONECT   10    8   44   44   32                                       
CONECT   11   32   32   12   56                                       
CONECT   12   43   43   11   13                                       
CONECT   13   12   33                                                 
CONECT   14   34   22   33   21                                       
CONECT   15   35   16   57   58                                       
CONECT   16   15   21   21   17                                       
CONECT   17   16   18   18   59                                       
CONECT   18   17   17   19   36                                       
CONECT   19   20   20   18   60                                       
CONECT   20   21   19   19   61                                       
CONECT   21   14   16   16   20                                       
CONECT   22   37   14   62   63                                       
CONECT   23   38   37   64   65                                       
CONECT   24    1    2                                                 
CONECT   25    3                                                      
CONECT   26    7    5    6   66                                       
CONECT   27    7   67   68   69                                       
CONECT   28   29   29    7   30                                       
CONECT   28   30   31                                                 
CONECT   29   28   28                                                 
CONECT   30   28   28                                                 
CONECT   31   28    8   70                                            
CONECT   32   10   11   11   71                                       
CONECT   33   13   14   72   73                                       
CONECT   34   35   14   74   75                                       
CONECT   35   34   15   76   77                                       
CONECT   36   18                                                      
CONECT   37   23   43   22                                            
CONECT   38   42   23   39   78                                       
CONECT   39   38   40   79   80                                       
CONECT   40   41   39   81   82                                       
CONECT   41   42   40                                                 
CONECT   42    2   41   38   83                                       
CONECT   43   44   37   12   12                                       
CONECT   44   10   10   43   84                                       
CONECT   45    1                                                      
CONECT   46    1                                                      
CONECT   47    1                                                      
CONECT   48    2                                                      
CONECT   49    4                                                      
CONECT   50    5                                                      
CONECT   51    5                                                      
CONECT   52    6                                                      
CONECT   53    6                                                      
CONECT   54    6                                                      
CONECT   55    7                                                      
CONECT   56   11                                                      
CONECT   57   15                                                      
CONECT   58   15                                                      
CONECT   59   17                                                      
CONECT   60   19                                                      
CONECT   61   20                                                      
CONECT   62   22                                                      
CONECT   63   22                                                      
CONECT   64   23                                                      
CONECT   65   23                                                      
CONECT   66   26                                                      
CONECT   67   27                                                      
CONECT   68   27                                                      
CONECT   69   27                                                      
CONECT   70   31                                                      
CONECT   71   32                                                      
CONECT   72   33                                                      
CONECT   73   33                                                      
CONECT   74   34                                                      
CONECT   75   34                                                      
CONECT   76   35                                                      
CONECT   77   35                                                      
CONECT   78   38                                                      
CONECT   79   39                                                      
CONECT   80   39                                                      
CONECT   81   40                                                      
CONECT   82   40                                                      
CONECT   83   42                                                      
CONECT   84   44                                                      
MASTER        0    0    0    0    0    0    0    0   84    0   84    0
END
