COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       0.831   0.031  -0.339  1.00  0.00           O  
HETATM    2  C   UNL     1       0.987   1.217  -0.557  1.00  0.00           C  
HETATM    3  N   UNL     1       2.227   1.743  -0.566  1.00  0.00           N  
HETATM    4  C   UNL     1       3.329   0.944  -0.242  1.00  0.00           C  
HETATM    5  C   UNL     1       3.348  -0.394  -0.609  1.00  0.00           C  
HETATM    6  C   UNL     1       4.442  -1.183  -0.285  1.00  0.00           C  
HETATM    7  N   UNL     1       4.466  -2.535  -0.656  1.00  0.00           N  
HETATM    8  C   UNL     1       3.487  -3.211  -1.336  1.00  0.00           C  
HETATM    9  C   UNL     1       3.916  -4.479  -1.480  1.00  0.00           C  
HETATM   10  C   UNL     1       3.169  -5.592  -2.168  1.00  0.00           C  
HETATM   11  N   UNL     1       5.124  -4.580  -0.906  1.00  0.00           N  
HETATM   12  C   UNL     1       5.467  -3.421  -0.413  1.00  0.00           C  
HETATM   13  C   UNL     1       5.514  -0.632   0.405  1.00  0.00           C  
HETATM   14  C   UNL     1       4.407   1.491   0.444  1.00  0.00           C  
HETATM   15  C   UNL     1       5.492   0.701   0.770  1.00  0.00           C  
HETATM   16  C   UNL     1       6.656   1.294   1.520  1.00  0.00           C  
HETATM   17  F   UNL     1       7.588   1.801   0.607  1.00  0.00           F  
HETATM   18  F   UNL     1       6.201   2.329   2.345  1.00  0.00           F  
HETATM   19  F   UNL     1       7.261   0.305   2.302  1.00  0.00           F  
HETATM   20  C   UNL     1      -0.184   2.080  -0.818  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.009   3.442  -1.068  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.104   4.246  -1.311  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.377   3.707  -1.308  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.567   4.592  -1.573  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.563   2.352  -1.060  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.469   1.535  -0.820  1.00  0.00           C  
HETATM   27  N   UNL     1      -3.853   1.812  -1.058  1.00  0.00           N  
HETATM   28  C   UNL     1      -4.171   0.781  -0.189  1.00  0.00           C  
HETATM   29  N   UNL     1      -3.221   0.269   0.580  1.00  0.00           N  
HETATM   30  C   UNL     1      -3.484  -0.717   1.423  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.772  -1.216   1.500  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.753  -0.655   0.677  1.00  0.00           C  
HETATM   33  N   UNL     1      -5.417   0.337  -0.143  1.00  0.00           N  
HETATM   34  C   UNL     1      -7.149  -1.155   0.721  1.00  0.00           C  
HETATM   35  C   UNL     1      -8.130  -0.595  -0.101  1.00  0.00           C  
HETATM   36  C   UNL     1      -9.418  -1.097  -0.022  1.00  0.00           C  
HETATM   37  C   UNL     1      -9.690  -2.127   0.861  1.00  0.00           C  
HETATM   38  N   UNL     1      -8.742  -2.635   1.625  1.00  0.00           N  
HETATM   39  C   UNL     1      -7.502  -2.195   1.580  1.00  0.00           C  
HETATM   40  H   UNL     1       2.357   2.676  -0.797  1.00  0.00           H  
HETATM   41  H   UNL     1       2.514  -0.820  -1.146  1.00  0.00           H  
HETATM   42  H   UNL     1       2.550  -2.805  -1.688  1.00  0.00           H  
HETATM   43  H   UNL     1       3.434  -5.608  -3.226  1.00  0.00           H  
HETATM   44  H   UNL     1       3.437  -6.545  -1.712  1.00  0.00           H  
HETATM   45  H   UNL     1       2.097  -5.428  -2.065  1.00  0.00           H  
HETATM   46  H   UNL     1       6.390  -3.204   0.103  1.00  0.00           H  
HETATM   47  H   UNL     1       6.366  -1.246   0.657  1.00  0.00           H  
HETATM   48  H   UNL     1       4.394   2.533   0.726  1.00  0.00           H  
HETATM   49  H   UNL     1       0.984   3.867  -1.071  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.966   5.299  -1.504  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.775   4.611  -2.643  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.436   4.203  -1.041  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.353   5.603  -1.227  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.611   0.481  -0.632  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.525   2.159  -1.665  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.702  -1.127   2.045  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.014  -2.020   2.179  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.890   0.209  -0.781  1.00  0.00           H  
HETATM   59  H   UNL     1     -10.202  -0.689  -0.642  1.00  0.00           H  
HETATM   60  H   UNL     1     -10.693  -2.520   0.925  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.753  -2.640   2.218  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   20                                       
CONECT    3    2    4   40                                            
CONECT    4    3    5    5   14                                       
CONECT    5    4    4    6   41                                       
CONECT    6    5    7   13   13                                       
CONECT    7    6    8   12                                            
CONECT    8    7    9    9   42                                       
CONECT    9    8    8   10   11                                       
CONECT   10    9   43   44   45                                       
CONECT   11    9   12   12                                            
CONECT   12    7   11   11   46                                       
CONECT   13    6    6   15   47                                       
CONECT   14    4   15   15   48                                       
CONECT   15   13   14   14   16                                       
CONECT   16   15   17   18   19                                       
CONECT   17   16                                                      
CONECT   18   16                                                      
CONECT   19   16                                                      
CONECT   20    2   21   21   26                                       
CONECT   21   20   20   22   49                                       
CONECT   22   21   23   23   50                                       
CONECT   23   22   22   24   25                                       
CONECT   24   23   51   52   53                                       
CONECT   25   23   26   26   27                                       
CONECT   26   20   25   25   54                                       
CONECT   27   25   28   55                                            
CONECT   28   27   29   29   33                                       
CONECT   29   28   28   30                                            
CONECT   30   29   31   31   56                                       
CONECT   31   30   30   32   57                                       
CONECT   32   31   33   33   34                                       
CONECT   33   28   32   32                                            
CONECT   34   32   35   35   39                                       
CONECT   35   34   34   36   58                                       
CONECT   36   35   37   37   59                                       
CONECT   37   36   36   38   60                                       
CONECT   38   37   39   39                                            
CONECT   39   34   38   38   61                                       
CONECT   40    3                                                      
CONECT   41    5                                                      
CONECT   42    8                                                      
CONECT   43   10                                                      
CONECT   44   10                                                      
CONECT   45   10                                                      
CONECT   46   12                                                      
CONECT   47   13                                                      
CONECT   48   14                                                      
CONECT   49   21                                                      
CONECT   50   22                                                      
CONECT   51   24                                                      
CONECT   52   24                                                      
CONECT   53   24                                                      
CONECT   54   26                                                      
CONECT   55   27                                                      
CONECT   56   30                                                      
CONECT   57   31                                                      
CONECT   58   35                                                      
CONECT   59   36                                                      
CONECT   60   37                                                      
CONECT   61   39                                                      
MASTER        0    0    0    0    0    0    0    0   61    0   61    0
END
