COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.207   2.087  -1.805  1.00  0.00           C  
HETATM    2  C   UNL     1       6.639   2.167  -3.223  1.00  0.00           C  
HETATM    3  C   UNL     1       5.700   1.957  -2.032  1.00  0.00           C  
HETATM    4  N   UNL     1       5.103   0.629  -1.868  1.00  0.00           N  
HETATM    5  C   UNL     1       3.938   0.491  -1.205  1.00  0.00           C  
HETATM    6  O   UNL     1       3.384   1.466  -0.744  1.00  0.00           O  
HETATM    7  C   UNL     1       3.324  -0.875  -1.036  1.00  0.00           C  
HETATM    8  N   UNL     1       2.071  -0.758  -0.286  1.00  0.00           N  
HETATM    9  C   UNL     1       1.325  -1.887  -0.007  1.00  0.00           C  
HETATM   10  C   UNL     1       1.752  -3.135  -0.425  1.00  0.00           C  
HETATM   11  C   UNL     1       0.975  -4.259  -0.127  1.00  0.00           C  
HETATM   12  O   UNL     1       1.343  -5.365  -0.491  1.00  0.00           O  
HETATM   13  N   UNL     1      -0.175  -4.129   0.558  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.971  -5.322   0.858  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.613  -2.914   0.978  1.00  0.00           C  
HETATM   16  C   UNL     1       0.108  -1.788   0.720  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.376  -0.467   1.189  1.00  0.00           C  
HETATM   18  C   UNL     1       0.229   0.153   2.280  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.226   1.383   2.713  1.00  0.00           C  
HETATM   20  C   UNL     1       0.430   2.053   3.892  1.00  0.00           C  
HETATM   21  C   UNL     1       0.329   3.571   3.737  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.277   1.623   5.180  1.00  0.00           C  
HETATM   23  O   UNL     1       1.805   1.670   3.954  1.00  0.00           O  
HETATM   24  C   UNL     1      -1.281   2.002   2.067  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.889   1.395   0.984  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.439   0.164   0.535  1.00  0.00           C  
HETATM   27  O   UNL     1      -2.032  -0.430  -0.534  1.00  0.00           O  
HETATM   28  C   UNL     1      -3.060   0.222  -1.137  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.363   0.013  -0.706  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.638  -0.937   0.431  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.407   0.677  -1.321  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.155   1.550  -2.365  1.00  0.00           C  
HETATM   33  F   UNL     1      -6.177   2.198  -2.964  1.00  0.00           F  
HETATM   34  C   UNL     1      -3.856   1.759  -2.796  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.809   1.101  -2.181  1.00  0.00           C  
HETATM   36  C   UNL     1      -1.394   1.334  -2.646  1.00  0.00           C  
HETATM   37  H   UNL     1       7.755   1.184  -1.532  1.00  0.00           H  
HETATM   38  H   UNL     1       7.570   3.011  -1.355  1.00  0.00           H  
HETATM   39  H   UNL     1       6.628   3.144  -3.706  1.00  0.00           H  
HETATM   40  H   UNL     1       6.812   1.318  -3.884  1.00  0.00           H  
HETATM   41  H   UNL     1       5.071   2.795  -1.732  1.00  0.00           H  
HETATM   42  H   UNL     1       5.546  -0.151  -2.237  1.00  0.00           H  
HETATM   43  H   UNL     1       3.121  -1.306  -2.017  1.00  0.00           H  
HETATM   44  H   UNL     1       4.015  -1.519  -0.492  1.00  0.00           H  
HETATM   45  H   UNL     1       1.765   0.112   0.015  1.00  0.00           H  
HETATM   46  H   UNL     1       2.676  -3.240  -0.975  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.474  -6.202   0.450  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.072  -5.430   1.938  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.959  -5.222   0.410  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.540  -2.840   1.526  1.00  0.00           H  
HETATM   51  H   UNL     1       1.052  -0.328   2.786  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.720   3.863   3.691  1.00  0.00           H  
HETATM   53  H   UNL     1       0.803   4.056   4.591  1.00  0.00           H  
HETATM   54  H   UNL     1       0.832   3.877   2.820  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.205   0.541   5.291  1.00  0.00           H  
HETATM   56  H   UNL     1       0.198   2.108   6.034  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.326   1.915   5.134  1.00  0.00           H  
HETATM   58  H   UNL     1       1.945   0.718   4.052  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.631   2.964   2.411  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.712   1.884   0.484  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.607  -0.392   1.375  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.623  -1.383   0.301  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.882  -1.722   0.439  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.421   0.514  -0.986  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.661   2.440  -3.611  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.148   0.618  -3.430  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.302   2.347  -3.036  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.710   1.204  -1.807  1.00  0.00           H  
CONECT    1    2    3   37   38                                       
CONECT    2    3    1   39   40                                       
CONECT    3    2    4    1   41                                       
CONECT    4    5    3   42                                            
CONECT    5    7    4    6    6                                       
CONECT    6    5    5                                                 
CONECT    7    5    8   43   44                                       
CONECT    8    7    9   45                                            
CONECT    9   10   10    8   16                                       
CONECT   10   11    9    9   46                                       
CONECT   11   12   12   10   13                                       
CONECT   12   11   11                                                 
CONECT   13   11   14   15                                            
CONECT   14   13   47   48   49                                       
CONECT   15   13   16   16   50                                       
CONECT   16    9   15   15   17                                       
CONECT   17   16   18   18   26                                       
CONECT   18   17   17   19   51                                       
CONECT   19   18   20   24   24                                       
CONECT   20   23   19   21   22                                       
CONECT   21   20   52   53   54                                       
CONECT   22   20   55   56   57                                       
CONECT   23   20   58                                                 
CONECT   24   19   19   25   59                                       
CONECT   25   26   26   24   60                                       
CONECT   26   17   27   25   25                                       
CONECT   27   26   28                                                 
CONECT   28   27   35   35   29                                       
CONECT   29   28   30   31   31                                       
CONECT   30   29   61   62   63                                       
CONECT   31   29   29   32   64                                       
CONECT   32   34   34   31   33                                       
CONECT   33   32                                                      
CONECT   34   35   32   32   65                                       
CONECT   35   36   28   28   34                                       
CONECT   36   35   66   67   68                                       
CONECT   37    1                                                      
CONECT   38    1                                                      
CONECT   39    2                                                      
CONECT   40    2                                                      
CONECT   41    3                                                      
CONECT   42    4                                                      
CONECT   43    7                                                      
CONECT   44    7                                                      
CONECT   45    8                                                      
CONECT   46   10                                                      
CONECT   47   14                                                      
CONECT   48   14                                                      
CONECT   49   14                                                      
CONECT   50   15                                                      
CONECT   51   18                                                      
CONECT   52   21                                                      
CONECT   53   21                                                      
CONECT   54   21                                                      
CONECT   55   22                                                      
CONECT   56   22                                                      
CONECT   57   22                                                      
CONECT   58   23                                                      
CONECT   59   24                                                      
CONECT   60   25                                                      
CONECT   61   30                                                      
CONECT   62   30                                                      
CONECT   63   30                                                      
CONECT   64   31                                                      
CONECT   65   34                                                      
CONECT   66   36                                                      
CONECT   67   36                                                      
CONECT   68   36                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
