COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.800  -0.257   1.390  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.912   0.488   1.730  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.219   1.641   1.023  1.00  0.00           C  
HETATM    4  C   UNL     1      -9.399   2.308   0.543  1.00  0.00           C  
HETATM    5  C   UNL     1     -10.558   2.996   0.873  1.00  0.00           C  
HETATM    6  C   UNL     1     -11.657   2.934   0.038  1.00  0.00           C  
HETATM    7  C   UNL     1      -9.347   1.560  -0.625  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.410   2.052  -0.029  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.793  -0.645  -0.039  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.385  -2.114  -1.110  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.696  -1.604  -1.140  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.318  -2.267   1.766  1.00  0.00           C  
HETATM   13  C   UNL     1       0.430  -0.435   0.242  1.00  0.00           C  
HETATM   14  C   UNL     1       2.867  -0.341   0.028  1.00  0.00           C  
HETATM   15  C   UNL     1       4.217  -0.440   0.619  1.00  0.00           C  
HETATM   16  C   UNL     1       4.678   0.569   1.525  1.00  0.00           C  
HETATM   17  C   UNL     1       5.015  -1.478   0.305  1.00  0.00           C  
HETATM   18  C   UNL     1       6.439  -1.510   0.797  1.00  0.00           C  
HETATM   19  C   UNL     1       6.451  -1.738   2.309  1.00  0.00           C  
HETATM   20  C   UNL     1       7.193  -2.647   0.104  1.00  0.00           C  
HETATM   21  F   UNL     1      -5.501  -1.381   2.078  1.00  0.00           F  
HETATM   22  O   UNL     1      -8.314   2.372   1.359  1.00  0.00           O  
HETATM   23  C   UNL     1     -11.603   2.188  -1.125  1.00  0.00           C  
HETATM   24  C   UNL     1     -10.449   1.502  -1.456  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.297   1.314  -0.374  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.987   0.150   0.330  1.00  0.00           C  
HETATM   27  N   UNL     1      -2.628  -0.624   0.565  1.00  0.00           N  
HETATM   28  N   UNL     1      -1.748  -1.508  -0.068  1.00  0.00           N  
HETATM   29  N   UNL     1      -2.030  -3.017  -2.024  1.00  0.00           N  
HETATM   30  C   UNL     1      -2.887  -3.423  -2.934  1.00  0.00           C  
HETATM   31  N   UNL     1      -4.129  -2.976  -2.995  1.00  0.00           N  
HETATM   32  C   UNL     1      -4.576  -2.071  -2.130  1.00  0.00           C  
HETATM   33  N   UNL     1      -5.873  -1.603  -2.203  1.00  0.00           N  
HETATM   34  C   UNL     1      -0.358  -1.746   0.328  1.00  0.00           C  
HETATM   35  C   UNL     1       1.132  -2.547   2.169  1.00  0.00           C  
HETATM   36  C   UNL     1       1.936  -1.245   2.104  1.00  0.00           C  
HETATM   37  N   UNL     1       1.784  -0.662   0.764  1.00  0.00           N  
HETATM   38  O   UNL     1       2.732   0.030  -1.122  1.00  0.00           O  
HETATM   39  N   UNL     1       5.044   1.369   2.243  1.00  0.00           N  
HETATM   40  N   UNL     1       7.092  -0.230   0.489  1.00  0.00           N  
HETATM   41  C   UNL     1       8.433  -0.166   1.087  1.00  0.00           C  
HETATM   42  C   UNL     1       9.046   1.209   0.811  1.00  0.00           C  
HETATM   43  N   UNL     1       9.108   1.433  -0.640  1.00  0.00           N  
HETATM   44  C   UNL     1       7.767   1.368  -1.238  1.00  0.00           C  
HETATM   45  C   UNL     1       7.154  -0.007  -0.962  1.00  0.00           C  
HETATM   46  C   UNL     1       9.761   2.712  -0.948  1.00  0.00           C  
HETATM   47  C   UNL     1      11.251   2.759  -0.560  1.00  0.00           C  
HETATM   48  O   UNL     1      11.446   3.401  -1.836  1.00  0.00           O  
HETATM   49  C   UNL     1      10.252   2.825  -2.404  1.00  0.00           C  
HETATM   50  H   UNL     1      -7.544   0.171   2.547  1.00  0.00           H  
HETATM   51  H   UNL     1     -10.601   3.578   1.781  1.00  0.00           H  
HETATM   52  H   UNL     1     -12.560   3.469   0.295  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.446   1.025  -0.884  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.652   2.950  -0.577  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.743  -1.519   2.435  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.898  -3.188   1.835  1.00  0.00           H  
HETATM   57  H   UNL     1       0.489  -0.112  -0.797  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.069   0.331   0.836  1.00  0.00           H  
HETATM   59  H   UNL     1       4.634  -2.289  -0.299  1.00  0.00           H  
HETATM   60  H   UNL     1       5.967  -2.687   2.538  1.00  0.00           H  
HETATM   61  H   UNL     1       7.482  -1.760   2.665  1.00  0.00           H  
HETATM   62  H   UNL     1       5.915  -0.928   2.803  1.00  0.00           H  
HETATM   63  H   UNL     1       7.184  -2.485  -0.974  1.00  0.00           H  
HETATM   64  H   UNL     1       8.223  -2.670   0.459  1.00  0.00           H  
HETATM   65  H   UNL     1       6.708  -3.596   0.332  1.00  0.00           H  
HETATM   66  H   UNL     1     -12.464   2.141  -1.776  1.00  0.00           H  
HETATM   67  H   UNL     1     -10.409   0.920  -2.365  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.669   1.634  -1.192  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.564  -4.156  -3.659  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.453  -1.890  -2.926  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.205  -0.987  -1.530  1.00  0.00           H  
HETATM   72  H   UNL     1       0.090  -2.484  -0.339  1.00  0.00           H  
HETATM   73  H   UNL     1       1.157  -2.941   3.185  1.00  0.00           H  
HETATM   74  H   UNL     1       1.565  -3.278   1.485  1.00  0.00           H  
HETATM   75  H   UNL     1       1.561  -0.546   2.851  1.00  0.00           H  
HETATM   76  H   UNL     1       2.988  -1.456   2.296  1.00  0.00           H  
HETATM   77  H   UNL     1       8.359  -0.322   2.163  1.00  0.00           H  
HETATM   78  H   UNL     1       9.064  -0.940   0.649  1.00  0.00           H  
HETATM   79  H   UNL     1       8.430   1.981   1.272  1.00  0.00           H  
HETATM   80  H   UNL     1      10.052   1.249   1.229  1.00  0.00           H  
HETATM   81  H   UNL     1       7.136   2.142  -0.801  1.00  0.00           H  
HETATM   82  H   UNL     1       7.841   1.524  -2.314  1.00  0.00           H  
HETATM   83  H   UNL     1       7.771  -0.779  -1.423  1.00  0.00           H  
HETATM   84  H   UNL     1       6.148  -0.047  -1.380  1.00  0.00           H  
HETATM   85  H   UNL     1       9.189   3.575  -0.606  1.00  0.00           H  
HETATM   86  H   UNL     1      11.464   3.402   0.294  1.00  0.00           H  
HETATM   87  H   UNL     1      11.718   1.778  -0.482  1.00  0.00           H  
HETATM   88  H   UNL     1      10.415   1.863  -2.890  1.00  0.00           H  
HETATM   89  H   UNL     1       9.674   3.520  -3.012  1.00  0.00           H  
CONECT    1   26   26   21    2                                       
CONECT    2    1    3    3   50                                       
CONECT    3    2    2    8   22                                       
CONECT    4    7   22    5    5                                       
CONECT    5    4    4    6   51                                       
CONECT    6   23   23    5   52                                       
CONECT    7   24   24    4   53                                       
CONECT    8   25   25    3   54                                       
CONECT    9   11   27   27   26                                       
CONECT   10   29   28   11   11                                       
CONECT   11   10   10   32    9                                       
CONECT   12   34   35   55   56                                       
CONECT   13   37   34   57   58                                       
CONECT   14   15   38   38   37                                       
CONECT   15   17   17   16   14                                       
CONECT   16   39   39   39   15                                       
CONECT   17   18   15   15   59                                       
CONECT   18   20   40   17   19                                       
CONECT   19   18   60   61   62                                       
CONECT   20   18   63   64   65                                       
CONECT   21    1                                                      
CONECT   22    3    4                                                 
CONECT   23   24    6    6   66                                       
CONECT   24    7    7   23   67                                       
CONECT   25   26    8    8   68                                       
CONECT   26    9    1    1   25                                       
CONECT   27   28    9    9                                            
CONECT   28   34   10   27                                            
CONECT   29   30   30   10                                            
CONECT   30   29   29   31   69                                       
CONECT   31   30   32   32                                            
CONECT   32   31   31   11   33                                       
CONECT   33   32   70   71                                            
CONECT   34   13   28   12   72                                       
CONECT   35   36   12   73   74                                       
CONECT   36   37   35   75   76                                       
CONECT   37   14   13   36                                            
CONECT   38   14   14                                                 
CONECT   39   16   16   16                                            
CONECT   40   45   18   41                                            
CONECT   41   40   42   77   78                                       
CONECT   42   43   41   79   80                                       
CONECT   43   44   46   42                                            
CONECT   44   45   43   81   82                                       
CONECT   45   44   40   83   84                                       
CONECT   46   49   47   43   85                                       
CONECT   47   48   46   86   87                                       
CONECT   48   49   47                                                 
CONECT   49   48   46   88   89                                       
CONECT   50    2                                                      
CONECT   51    5                                                      
CONECT   52    6                                                      
CONECT   53    7                                                      
CONECT   54    8                                                      
CONECT   55   12                                                      
CONECT   56   12                                                      
CONECT   57   13                                                      
CONECT   58   13                                                      
CONECT   59   17                                                      
CONECT   60   19                                                      
CONECT   61   19                                                      
CONECT   62   19                                                      
CONECT   63   20                                                      
CONECT   64   20                                                      
CONECT   65   20                                                      
CONECT   66   23                                                      
CONECT   67   24                                                      
CONECT   68   25                                                      
CONECT   69   30                                                      
CONECT   70   33                                                      
CONECT   71   33                                                      
CONECT   72   34                                                      
CONECT   73   35                                                      
CONECT   74   35                                                      
CONECT   75   36                                                      
CONECT   76   36                                                      
CONECT   77   41                                                      
CONECT   78   41                                                      
CONECT   79   42                                                      
CONECT   80   42                                                      
CONECT   81   44                                                      
CONECT   82   44                                                      
CONECT   83   45                                                      
CONECT   84   45                                                      
CONECT   85   46                                                      
CONECT   86   47                                                      
CONECT   87   47                                                      
CONECT   88   49                                                      
CONECT   89   49                                                      
MASTER        0    0    0    0    0    0    0    0   89    0   89    0
END
