COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.464   2.007   1.597  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.636   1.755  -0.640  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.293   1.753  -1.373  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.964   1.533  -0.902  1.00  0.00           C  
HETATM    5  C   UNL     1       0.444   1.328  -0.596  1.00  0.00           C  
HETATM    6  C   UNL     1       0.974   2.758  -0.719  1.00  0.00           C  
HETATM    7  C   UNL     1       1.329   0.543   0.338  1.00  0.00           C  
HETATM    8  C   UNL     1       3.938  -2.130  -0.766  1.00  0.00           C  
HETATM    9  C   UNL     1       3.552  -4.497  -0.804  1.00  0.00           C  
HETATM   10  C   UNL     1       3.270  -3.251   0.064  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.235  -1.317  -0.457  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.364  -3.364   0.490  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.921   1.356  -0.067  1.00  0.00           N  
HETATM   14  N   UNL     1       4.756  -4.172  -1.577  1.00  0.00           N  
HETATM   15  C   UNL     1       0.152   3.519  -1.761  1.00  0.00           C  
HETATM   16  C   UNL     1       0.598   4.981  -1.795  1.00  0.00           C  
HETATM   17  C   UNL     1       3.496  -0.380   0.961  1.00  0.00           C  
HETATM   18  C   UNL     1       4.584  -1.093   0.155  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.955  -2.582  -1.271  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.644  -2.099   1.304  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.362   0.548   1.211  1.00  0.00           C  
HETATM   22  O   UNL     1      -3.219   1.559  -0.416  1.00  0.00           O  
HETATM   23  C   UNL     1      -5.596   2.741   0.548  1.00  0.00           C  
HETATM   24  O   UNL     1      -1.772   1.668  -2.094  1.00  0.00           O  
HETATM   25  C   UNL     1       0.366   2.888  -3.139  1.00  0.00           C  
HETATM   26  C   UNL     1       4.994  -2.849  -1.577  1.00  0.00           C  
HETATM   27  C   UNL     1       4.148   0.572   1.966  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.663  -0.842  -0.728  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.526  -3.057  -1.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.073  -1.624   1.033  1.00  0.00           C  
HETATM   31  F   UNL     1      -3.267  -4.366   0.861  1.00  0.00           F  
HETATM   32  F   UNL     1      -1.058  -3.798   0.738  1.00  0.00           F  
HETATM   33  N   UNL     1       2.636   0.383   0.053  1.00  0.00           N  
HETATM   34  N   UNL     1      -5.892   0.433  -0.043  1.00  0.00           N  
HETATM   35  O   UNL     1      -6.661  -0.383   1.929  1.00  0.00           O  
HETATM   36  O   UNL     1       5.919  -2.309  -2.145  1.00  0.00           O  
HETATM   37  O   UNL     1       3.140   1.151   2.797  1.00  0.00           O  
HETATM   38  O   UNL     1       0.864   0.056   1.347  1.00  0.00           O  
HETATM   39  H   UNL     1      -7.499   2.345   1.540  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.067   2.165   2.599  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.440   2.021  -1.326  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.279   0.944  -2.104  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.157   2.707  -1.884  1.00  0.00           H  
HETATM   44  H   UNL     1       0.444   0.855  -1.578  1.00  0.00           H  
HETATM   45  H   UNL     1       0.892   3.260   0.245  1.00  0.00           H  
HETATM   46  H   UNL     1       2.019   2.733  -1.028  1.00  0.00           H  
HETATM   47  H   UNL     1       3.209  -1.656  -1.423  1.00  0.00           H  
HETATM   48  H   UNL     1       3.733  -5.365  -0.170  1.00  0.00           H  
HETATM   49  H   UNL     1       2.714  -4.688  -1.474  1.00  0.00           H  
HETATM   50  H   UNL     1       3.740  -3.343   1.044  1.00  0.00           H  
HETATM   51  H   UNL     1       2.198  -3.077   0.163  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.531  -0.536  -0.746  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.075   1.248   0.885  1.00  0.00           H  
HETATM   54  H   UNL     1       5.310  -4.827  -2.029  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.905   3.467  -1.498  1.00  0.00           H  
HETATM   56  H   UNL     1       1.655   5.033  -2.058  1.00  0.00           H  
HETATM   57  H   UNL     1       0.012   5.523  -2.537  1.00  0.00           H  
HETATM   58  H   UNL     1       0.446   5.431  -0.814  1.00  0.00           H  
HETATM   59  H   UNL     1       2.897  -1.117   1.495  1.00  0.00           H  
HETATM   60  H   UNL     1       5.273  -1.592   0.836  1.00  0.00           H  
HETATM   61  H   UNL     1       5.129  -0.364  -0.444  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.658  -3.363  -0.983  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.070  -2.363  -2.333  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.529  -2.317   2.366  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.941  -1.318   1.016  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.040   3.698   0.276  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.577   2.874   0.911  1.00  0.00           H  
HETATM   68  H   UNL     1       1.422   2.939  -3.402  1.00  0.00           H  
HETATM   69  H   UNL     1       0.047   1.846  -3.115  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.220   3.430  -3.881  1.00  0.00           H  
HETATM   71  H   UNL     1       4.856   0.020   2.584  1.00  0.00           H  
HETATM   72  S   UNL     1       5.024   1.886   1.073  1.00  0.00           S  
HETATM   73  H   UNL     1      -5.805  -0.709  -1.801  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.370  -1.585  -0.358  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.822  -2.276  -1.288  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.326  -3.958  -1.580  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.273  -0.723   1.613  1.00  0.00           H  
HETATM   78  H   UNL     1      -4.777  -2.405   1.322  1.00  0.00           H  
HETATM   79  H   UNL     1       3.008   0.773  -0.754  1.00  0.00           H  
HETATM   80  H   UNL     1       2.475   1.660   2.312  1.00  0.00           H  
HETATM   81  O   UNL     1       4.102   2.741   0.412  1.00  0.00           O  
HETATM   82  O   UNL     1       5.622   2.757   2.169  1.00  0.00           O  
HETATM   83  O   UNL     1       6.153   1.358   0.390  1.00  0.00           O  
HETATM   84  H   UNL     1       6.128   3.512   1.840  1.00  0.00           H  
CONECT    1   23   21   39   40                                       
CONECT    2    3   34   23   41                                       
CONECT    3   22    2   42   43                                       
CONECT    4   13   22   24   24                                       
CONECT    5    6   13    7   44                                       
CONECT    6   15    5   45   46                                       
CONECT    7    5   38   38   33                                       
CONECT    8   18   10   26   47                                       
CONECT    9   10   14   48   49                                       
CONECT   10    8    9   50   51                                       
CONECT   11   19   30   28   52                                       
CONECT   12   31   32   29   20                                       
CONECT   13    5    4   53                                            
CONECT   14    9   26   54                                            
CONECT   15   25   16    6   55                                       
CONECT   16   15   56   57   58                                       
CONECT   17   33   27   18   59                                       
CONECT   18   17    8   60   61                                       
CONECT   19   29   11   62   63                                       
CONECT   20   12   30   64   65                                       
CONECT   21   34   35   35    1                                       
CONECT   22    4    3                                                 
CONECT   23    2    1   66   67                                       
CONECT   24    4    4                                                 
CONECT   25   15   68   69   70                                       
CONECT   26    8   36   36   14                                       
CONECT   27   37   17   71   72                                       
CONECT   28   11   34   73   74                                       
CONECT   29   12   19   75   76                                       
CONECT   30   20   11   77   78                                       
CONECT   31   12                                                      
CONECT   32   12                                                      
CONECT   33    7   17   79                                            
CONECT   34   28    2   21                                            
CONECT   35   21   21                                                 
CONECT   36   26   26                                                 
CONECT   37   27   80                                                 
CONECT   38    7    7                                                 
CONECT   39    1                                                      
CONECT   40    1                                                      
CONECT   41    2                                                      
CONECT   42    3                                                      
CONECT   43    3                                                      
CONECT   44    5                                                      
CONECT   45    6                                                      
CONECT   46    6                                                      
CONECT   47    8                                                      
CONECT   48    9                                                      
CONECT   49    9                                                      
CONECT   50   10                                                      
CONECT   51   10                                                      
CONECT   52   11                                                      
CONECT   53   13                                                      
CONECT   54   14                                                      
CONECT   55   15                                                      
CONECT   56   16                                                      
CONECT   57   16                                                      
CONECT   58   16                                                      
CONECT   59   17                                                      
CONECT   60   18                                                      
CONECT   61   18                                                      
CONECT   62   19                                                      
CONECT   63   19                                                      
CONECT   64   20                                                      
CONECT   65   20                                                      
CONECT   66   23                                                      
CONECT   67   23                                                      
CONECT   68   25                                                      
CONECT   69   25                                                      
CONECT   70   25                                                      
CONECT   71   27                                                      
CONECT   72   27   81   81   82                                       
CONECT   72   83   83                                                 
CONECT   73   28                                                      
CONECT   74   28                                                      
CONECT   75   29                                                      
CONECT   76   29                                                      
CONECT   77   30                                                      
CONECT   78   30                                                      
CONECT   79   33                                                      
CONECT   80   37                                                      
CONECT   81   72   72                                                 
CONECT   82   72   84                                                 
CONECT   83   72   72                                                 
CONECT   84   82                                                      
MASTER        0    0    0    0    0    0    0    0   84    0   84    0
END
