COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.535   1.231   0.393  1.00  0.00           C  
HETATM    2  C   UNL     1       7.338  -0.056   1.872  1.00  0.00           C  
HETATM    3  C   UNL     1       7.577  -0.941   0.580  1.00  0.00           C  
HETATM    4  C   UNL     1       8.772  -0.216  -0.111  1.00  0.00           C  
HETATM    5  C   UNL     1       6.393  -0.779  -0.390  1.00  0.00           C  
HETATM    6  C   UNL     1       6.939  -0.031  -1.639  1.00  0.00           C  
HETATM    7  C   UNL     1       8.466  -0.319  -1.614  1.00  0.00           C  
HETATM    8  C   UNL     1       6.825   1.463  -1.359  1.00  0.00           C  
HETATM    9  C   UNL     1       4.079  -0.248  -0.141  1.00  0.00           C  
HETATM   10  C   UNL     1       1.682   0.168  -0.008  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.590   1.160  -0.318  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.894   1.828   0.772  1.00  0.00           C  
HETATM   13  C   UNL     1       0.818   1.409   0.225  1.00  0.00           C  
HETATM   14  C   UNL     1       1.131  -0.999   0.815  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.040   0.479   1.010  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.252  -0.153   0.742  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.330   0.574   0.229  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.157   1.954  -0.007  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.958   2.562   0.269  1.00  0.00           C  
HETATM   20  C   UNL     1      -7.350  -1.440   0.314  1.00  0.00           C  
HETATM   21  C   UNL     1      -9.671  -1.905  -0.371  1.00  0.00           C  
HETATM   22  C   UNL     1       1.905  -2.251   0.493  1.00  0.00           C  
HETATM   23  C   UNL     1       3.035  -2.572   1.222  1.00  0.00           C  
HETATM   24  C   UNL     1       3.747  -3.720   0.927  1.00  0.00           C  
HETATM   25  C   UNL     1       3.329  -4.548  -0.098  1.00  0.00           C  
HETATM   26  C   UNL     1       2.197  -4.228  -0.828  1.00  0.00           C  
HETATM   27  C   UNL     1       1.482  -3.081  -0.528  1.00  0.00           C  
HETATM   28  C   UNL     1     -10.906  -2.726   0.004  1.00  0.00           C  
HETATM   29  C   UNL     1     -10.346  -2.793  -1.418  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.310   3.406  -1.253  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.863   2.832  -2.559  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.355   2.537  -2.395  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.665   3.848  -3.686  1.00  0.00           C  
HETATM   34  F   UNL     1       1.788  -5.037  -1.830  1.00  0.00           F  
HETATM   35  N   UNL     1       3.060   0.447   0.402  1.00  0.00           N  
HETATM   36  N   UNL     1      -1.382   2.387  -0.203  1.00  0.00           N  
HETATM   37  N   UNL     1      -7.424  -0.186   0.022  1.00  0.00           N  
HETATM   38  N   UNL     1      -8.379  -2.346   0.159  1.00  0.00           N  
HETATM   39  O   UNL     1       8.320   1.001   1.824  1.00  0.00           O  
HETATM   40  O   UNL     1       7.264   1.729  -0.038  1.00  0.00           O  
HETATM   41  O   UNL     1       5.346   0.009   0.237  1.00  0.00           O  
HETATM   42  O   UNL     1       3.855  -1.107  -0.970  1.00  0.00           O  
HETATM   43  O   UNL     1      -2.631   4.016   1.167  1.00  0.00           O  
HETATM   44  O   UNL     1      -1.765   1.904   2.187  1.00  0.00           O  
HETATM   45  O   UNL     1       0.747   1.684   1.625  1.00  0.00           O  
HETATM   46  S   UNL     1      -2.359   2.622   1.113  1.00  0.00           S  
HETATM   47  S   UNL     1      -5.752  -1.831   0.932  1.00  0.00           S  
HETATM   48  H   UNL     1       9.361   1.908   0.173  1.00  0.00           H  
HETATM   49  H   UNL     1       6.333   0.364   1.854  1.00  0.00           H  
HETATM   50  H   UNL     1       7.474  -0.661   2.768  1.00  0.00           H  
HETATM   51  H   UNL     1       7.794  -1.982   0.819  1.00  0.00           H  
HETATM   52  H   UNL     1       9.747  -0.616   0.169  1.00  0.00           H  
HETATM   53  H   UNL     1       6.006  -1.758  -0.671  1.00  0.00           H  
HETATM   54  H   UNL     1       6.449  -0.332  -2.565  1.00  0.00           H  
HETATM   55  H   UNL     1       9.015   0.435  -2.178  1.00  0.00           H  
HETATM   56  H   UNL     1       8.681  -1.319  -1.989  1.00  0.00           H  
HETATM   57  H   UNL     1       7.461   2.016  -2.050  1.00  0.00           H  
HETATM   58  H   UNL     1       5.789   1.781  -1.478  1.00  0.00           H  
HETATM   59  H   UNL     1       1.664  -0.094  -1.066  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.529   0.863  -1.365  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.066   0.365   0.257  1.00  0.00           H  
HETATM   62  H   UNL     1       1.261   2.261  -0.290  1.00  0.00           H  
HETATM   63  H   UNL     1       1.231  -0.773   1.877  1.00  0.00           H  
HETATM   64  H   UNL     1       0.079  -1.149   0.573  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.213  -0.090   1.407  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.975   2.537  -0.403  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.839   3.619   0.084  1.00  0.00           H  
HETATM   68  H   UNL     1      -9.795  -0.826  -0.470  1.00  0.00           H  
HETATM   69  H   UNL     1       3.363  -1.925   2.022  1.00  0.00           H  
HETATM   70  H   UNL     1       4.629  -3.969   1.497  1.00  0.00           H  
HETATM   71  H   UNL     1       3.885  -5.445  -0.329  1.00  0.00           H  
HETATM   72  H   UNL     1       0.597  -2.832  -1.094  1.00  0.00           H  
HETATM   73  H   UNL     1     -10.758  -3.594   0.645  1.00  0.00           H  
HETATM   74  H   UNL     1     -11.843  -2.187   0.151  1.00  0.00           H  
HETATM   75  H   UNL     1     -10.914  -2.299  -2.207  1.00  0.00           H  
HETATM   76  H   UNL     1      -9.829  -3.706  -1.713  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.272   3.705  -1.398  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.900   4.274  -0.959  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.335   1.911  -2.804  1.00  0.00           H  
HETATM   80  H   UNL     1      -3.490   1.743  -1.661  1.00  0.00           H  
HETATM   81  H   UNL     1      -3.868   3.437  -2.056  1.00  0.00           H  
HETATM   82  H   UNL     1      -3.770   2.221  -3.352  1.00  0.00           H  
HETATM   83  H   UNL     1      -0.602   4.059  -3.803  1.00  0.00           H  
HETATM   84  H   UNL     1      -2.059   3.440  -4.617  1.00  0.00           H  
HETATM   85  H   UNL     1      -2.193   4.770  -3.442  1.00  0.00           H  
HETATM   86  H   UNL     1       3.239   1.133   1.064  1.00  0.00           H  
HETATM   87  H   UNL     1      -8.246  -3.276   0.401  1.00  0.00           H  
HETATM   88  H   UNL     1       0.363   0.966   2.148  1.00  0.00           H  
CONECT    1   39    4   40   48                                       
CONECT    2    3   39   49   50                                       
CONECT    3    5    2    4   51                                       
CONECT    4    3    7    1   52                                       
CONECT    5   41    3    6   53                                       
CONECT    6    5    8    7   54                                       
CONECT    7    6    4   55   56                                       
CONECT    8    6   40   57   58                                       
CONECT    9   35   42   42   41                                       
CONECT   10   13   14   35   59                                       
CONECT   11   36   13   60   61                                       
CONECT   12   19   19   15   46                                       
CONECT   13   11   45   10   62                                       
CONECT   14   10   22   63   64                                       
CONECT   15   16   16   12   65                                       
CONECT   16   47   17   15   15                                       
CONECT   17   37   18   18   16                                       
CONECT   18   17   17   19   66                                       
CONECT   19   18   12   12   67                                       
CONECT   20   38   37   37   47                                       
CONECT   21   29   38   28   68                                       
CONECT   22   14   27   27   23                                       
CONECT   23   22   24   24   69                                       
CONECT   24   23   23   25   70                                       
CONECT   25   26   26   24   71                                       
CONECT   26   27   34   25   25                                       
CONECT   27   22   22   26   72                                       
CONECT   28   29   21   73   74                                       
CONECT   29   21   28   75   76                                       
CONECT   30   36   31   77   78                                       
CONECT   31   30   32   33   79                                       
CONECT   32   31   80   81   82                                       
CONECT   33   31   83   84   85                                       
CONECT   34   26                                                      
CONECT   35   10    9   86                                            
CONECT   36   46   30   11                                            
CONECT   37   20   20   17                                            
CONECT   38   21   20   87                                            
CONECT   39    2    1                                                 
CONECT   40    8    1                                                 
CONECT   41    9    5                                                 
CONECT   42    9    9                                                 
CONECT   43   46   46                                                 
CONECT   44   46   46                                                 
CONECT   45   13   88                                                 
CONECT   46   12   43   43   44                                       
CONECT   46   44   36                                                 
CONECT   47   20   16                                                 
CONECT   48    1                                                      
CONECT   49    2                                                      
CONECT   50    2                                                      
CONECT   51    3                                                      
CONECT   52    4                                                      
CONECT   53    5                                                      
CONECT   54    6                                                      
CONECT   55    7                                                      
CONECT   56    7                                                      
CONECT   57    8                                                      
CONECT   58    8                                                      
CONECT   59   10                                                      
CONECT   60   11                                                      
CONECT   61   11                                                      
CONECT   62   13                                                      
CONECT   63   14                                                      
CONECT   64   14                                                      
CONECT   65   15                                                      
CONECT   66   18                                                      
CONECT   67   19                                                      
CONECT   68   21                                                      
CONECT   69   23                                                      
CONECT   70   24                                                      
CONECT   71   25                                                      
CONECT   72   27                                                      
CONECT   73   28                                                      
CONECT   74   28                                                      
CONECT   75   29                                                      
CONECT   76   29                                                      
CONECT   77   30                                                      
CONECT   78   30                                                      
CONECT   79   31                                                      
CONECT   80   32                                                      
CONECT   81   32                                                      
CONECT   82   32                                                      
CONECT   83   33                                                      
CONECT   84   33                                                      
CONECT   85   33                                                      
CONECT   86   35                                                      
CONECT   87   38                                                      
CONECT   88   45                                                      
MASTER        0    0    0    0    0    0    0    0   88    0   88    0
END
