COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.876  -1.750  -0.825  1.00  0.00           C  
HETATM    2  N   UNL     1       3.092  -0.457   0.216  1.00  0.00           N  
HETATM    3  C   UNL     1       2.597   0.679   0.697  1.00  0.00           C  
HETATM    4  C   UNL     1       0.831  -0.652   1.490  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.784   0.827  -0.598  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.073   0.017  -0.752  1.00  0.00           C  
HETATM    7  C   UNL     1      -9.322  -0.053  -1.836  1.00  0.00           C  
HETATM    8  C   UNL     1     -11.142  -0.096  -0.200  1.00  0.00           C  
HETATM    9  C   UNL     1     -13.314   0.707  -0.926  1.00  0.00           C  
HETATM   10  C   UNL     1       5.876  -4.041  -1.794  1.00  0.00           C  
HETATM   11  C   UNL     1       4.809  -2.933  -0.082  1.00  0.00           C  
HETATM   12  C   UNL     1       4.172  -2.943   1.284  1.00  0.00           C  
HETATM   13  C   UNL     1       5.472  -1.794  -2.089  1.00  0.00           C  
HETATM   14  C   UNL     1       4.323  -0.485  -0.290  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.505  -0.572   2.236  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.662  -0.149   1.147  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.585   0.738   0.352  1.00  0.00           C  
HETATM   18  C   UNL     1      -8.047   0.776  -1.656  1.00  0.00           C  
HETATM   19  C   UNL     1     -12.046   0.441  -1.228  1.00  0.00           C  
HETATM   20  C   UNL     1      -8.982  -1.034   0.469  1.00  0.00           C  
HETATM   21  C   UNL     1      -7.710  -0.193   0.623  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.950   1.604   1.035  1.00  0.00           C  
HETATM   23  C   UNL     1       0.404   1.439   0.338  1.00  0.00           C  
HETATM   24  C   UNL     1       4.560   1.760   0.167  1.00  0.00           C  
HETATM   25  C   UNL     1       6.551   2.746   0.929  1.00  0.00           C  
HETATM   26  C   UNL     1       7.334   4.062   0.924  1.00  0.00           C  
HETATM   27  C   UNL     1       6.425   4.617  -1.221  1.00  0.00           C  
HETATM   28  C   UNL     1       5.634   3.307  -1.238  1.00  0.00           C  
HETATM   29  C   UNL     1       4.333   3.506  -2.020  1.00  0.00           C  
HETATM   30  F   UNL     1       4.610  -4.066   1.995  1.00  0.00           F  
HETATM   31  F   UNL     1       4.533  -1.782   1.976  1.00  0.00           F  
HETATM   32  N   UNL     1       6.391  -5.221  -2.294  1.00  0.00           N  
HETATM   33  N   UNL     1       5.313  -4.041  -0.594  1.00  0.00           N  
HETATM   34  N   UNL     1       5.949  -2.943  -2.533  1.00  0.00           N  
HETATM   35  N   UNL     1       1.321   0.707   1.222  1.00  0.00           N  
HETATM   36  N   UNL     1      -1.422   0.278   1.460  1.00  0.00           N  
HETATM   37  N   UNL     1      -9.863  -0.384  -0.511  1.00  0.00           N  
HETATM   38  N   UNL     1       3.330   1.787   0.672  1.00  0.00           N  
HETATM   39  N   UNL     1       5.320   2.912   0.143  1.00  0.00           N  
HETATM   40  N   UNL     1       5.056   0.625  -0.314  1.00  0.00           N  
HETATM   41  O   UNL     1      -4.832   0.069   0.150  1.00  0.00           O  
HETATM   42  O   UNL     1     -11.549  -0.281   0.932  1.00  0.00           O  
HETATM   43  O   UNL     1      -3.034  -1.246   1.506  1.00  0.00           O  
HETATM   44  O   UNL     1       7.602   4.446  -0.427  1.00  0.00           O  
HETATM   45  H   UNL     1       1.558  -1.185   2.103  1.00  0.00           H  
HETATM   46  H   UNL     1       0.691  -1.181   0.548  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.377   1.053  -1.583  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.000   1.758  -0.072  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.843  -0.950  -1.197  1.00  0.00           H  
HETATM   50  H   UNL     1     -10.057   0.524  -2.397  1.00  0.00           H  
HETATM   51  H   UNL     1      -9.088  -0.971  -2.377  1.00  0.00           H  
HETATM   52  H   UNL     1     -13.977   1.102  -1.681  1.00  0.00           H  
HETATM   53  H   UNL     1     -13.679   0.529   0.075  1.00  0.00           H  
HETATM   54  H   UNL     1       3.087  -2.981   1.178  1.00  0.00           H  
HETATM   55  H   UNL     1       5.542  -0.901  -2.693  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.929  -1.571   2.336  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.349  -0.136   3.223  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.756   1.667   0.897  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.132   0.961  -0.614  1.00  0.00           H  
HETATM   60  H   UNL     1      -8.297   1.734  -1.199  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.583   0.946  -2.628  1.00  0.00           H  
HETATM   62  H   UNL     1     -11.681   0.619  -2.229  1.00  0.00           H  
HETATM   63  H   UNL     1      -8.720  -2.032   0.119  1.00  0.00           H  
HETATM   64  H   UNL     1      -9.493  -1.106   1.429  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.007  -0.713   1.275  1.00  0.00           H  
HETATM   66  H   UNL     1      -7.964   0.773   1.059  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.837   2.249   1.907  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.667   2.047   0.344  1.00  0.00           H  
HETATM   69  H   UNL     1       0.269   0.881  -0.589  1.00  0.00           H  
HETATM   70  H   UNL     1       0.820   2.421   0.113  1.00  0.00           H  
HETATM   71  H   UNL     1       7.162   1.958   0.488  1.00  0.00           H  
HETATM   72  H   UNL     1       6.295   2.479   1.954  1.00  0.00           H  
HETATM   73  H   UNL     1       6.745   4.838   1.413  1.00  0.00           H  
HETATM   74  H   UNL     1       8.275   3.928   1.458  1.00  0.00           H  
HETATM   75  H   UNL     1       6.709   4.884  -2.239  1.00  0.00           H  
HETATM   76  H   UNL     1       5.810   5.409  -0.795  1.00  0.00           H  
HETATM   77  H   UNL     1       6.229   2.528  -1.714  1.00  0.00           H  
HETATM   78  H   UNL     1       4.565   3.839  -3.032  1.00  0.00           H  
HETATM   79  H   UNL     1       3.788   2.563  -2.064  1.00  0.00           H  
HETATM   80  H   UNL     1       3.721   4.257  -1.521  1.00  0.00           H  
HETATM   81  H   UNL     1       6.339  -6.034  -1.768  1.00  0.00           H  
HETATM   82  H   UNL     1       6.806  -5.237  -3.171  1.00  0.00           H  
CONECT    1   13   13   11   14                                       
CONECT    2   14   14    3                                            
CONECT    3    2   35   38   38                                       
CONECT    4   15   35   45   46                                       
CONECT    5   41    6   47   48                                       
CONECT    6   21    5   18   49                                       
CONECT    7   37   18   50   51                                       
CONECT    8   42   42   37   19                                       
CONECT    9   19   19   52   53                                       
CONECT   10   32   34   34   33                                       
CONECT   11   33   33    1   12                                       
CONECT   12   11   31   30   54                                       
CONECT   13   34    1    1   55                                       
CONECT   14    1    2    2   40                                       
CONECT   15    4   36   56   57                                       
CONECT   16   17   36   43   43                                       
CONECT   17   41   16   58   59                                       
CONECT   18    6    7   60   61                                       
CONECT   19    9    9    8   62                                       
CONECT   20   21   37   63   64                                       
CONECT   21   20    6   65   66                                       
CONECT   22   36   23   67   68                                       
CONECT   23   35   22   69   70                                       
CONECT   24   40   40   38   39                                       
CONECT   25   26   39   71   72                                       
CONECT   26   25   44   73   74                                       
CONECT   27   44   28   75   76                                       
CONECT   28   39   27   29   77                                       
CONECT   29   28   78   79   80                                       
CONECT   30   12                                                      
CONECT   31   12                                                      
CONECT   32   10   81   82                                            
CONECT   33   10   11   11                                            
CONECT   34   10   10   13                                            
CONECT   35    4    3   23                                            
CONECT   36   15   16   22                                            
CONECT   37   20    8    7                                            
CONECT   38    3    3   24                                            
CONECT   39   25   24   28                                            
CONECT   40   14   24   24                                            
CONECT   41   17    5                                                 
CONECT   42    8    8                                                 
CONECT   43   16   16                                                 
CONECT   44   26   27                                                 
CONECT   45    4                                                      
CONECT   46    4                                                      
CONECT   47    5                                                      
CONECT   48    5                                                      
CONECT   49    6                                                      
CONECT   50    7                                                      
CONECT   51    7                                                      
CONECT   52    9                                                      
CONECT   53    9                                                      
CONECT   54   12                                                      
CONECT   55   13                                                      
CONECT   56   15                                                      
CONECT   57   15                                                      
CONECT   58   17                                                      
CONECT   59   17                                                      
CONECT   60   18                                                      
CONECT   61   18                                                      
CONECT   62   19                                                      
CONECT   63   20                                                      
CONECT   64   20                                                      
CONECT   65   21                                                      
CONECT   66   21                                                      
CONECT   67   22                                                      
CONECT   68   22                                                      
CONECT   69   23                                                      
CONECT   70   23                                                      
CONECT   71   25                                                      
CONECT   72   25                                                      
CONECT   73   26                                                      
CONECT   74   26                                                      
CONECT   75   27                                                      
CONECT   76   27                                                      
CONECT   77   28                                                      
CONECT   78   29                                                      
CONECT   79   29                                                      
CONECT   80   29                                                      
CONECT   81   32                                                      
CONECT   82   32                                                      
MASTER        0    0    0    0    0    0    0    0   82    0   82    0
END
