COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.449   0.163   1.153  1.00  0.00           C  
HETATM    2  C   UNL     1       4.514  -0.204  -0.185  1.00  0.00           C  
HETATM    3  C   UNL     1       5.552   0.268  -0.982  1.00  0.00           C  
HETATM    4  C   UNL     1       6.514   1.100  -0.439  1.00  0.00           C  
HETATM    5  C   UNL     1       6.444   1.462   0.894  1.00  0.00           C  
HETATM    6  C   UNL     1       5.413   0.994   1.688  1.00  0.00           C  
HETATM    7  C   UNL     1       2.203  -0.446  -0.617  1.00  0.00           C  
HETATM    8  C   UNL     1       1.178  -1.359  -1.294  1.00  0.00           C  
HETATM    9  C   UNL     1       2.549  -3.284  -0.770  1.00  0.00           C  
HETATM   10  C   UNL     1       3.574  -2.371  -0.094  1.00  0.00           C  
HETATM   11  C   UNL     1       0.786  -2.606   0.745  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.700  -2.364   0.806  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.584  -3.397   0.529  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.951  -3.171   0.586  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.430  -1.918   0.919  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.547  -0.890   1.194  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.184  -1.115   1.144  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.072   0.476   1.555  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.080   1.531   1.125  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.251   2.296   0.023  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.442   2.180  -0.895  1.00  0.00           C  
HETATM   22  CA  UNL     1      -4.143   0.848  -0.594  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.479   0.815  -1.291  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.112   3.182  -0.062  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.290   2.868   1.052  1.00  0.00           C  
HETATM   26  C   UNL     1       0.906   3.551   1.265  1.00  0.00           C  
HETATM   27  C   UNL     1       1.240   4.533   0.348  1.00  0.00           C  
HETATM   28  C   UNL     1       0.434   4.836  -0.736  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.749   4.179  -0.972  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.079  -5.643  -0.071  1.00  0.00           C  
HETATM   31  F   UNL     1       5.620  -0.086  -2.284  1.00  0.00           F  
HETATM   32  N   UNL     1       3.539  -1.046  -0.729  1.00  0.00           N  
HETATM   33  N   UNL     1       1.212  -2.684  -0.658  1.00  0.00           N  
HETATM   34  N   UNL     1      -4.344   0.718   0.856  1.00  0.00           N  
HETATM   35  N   UNL     1      -0.908   1.867   1.745  1.00  0.00           N  
HETATM   36  O   UNL     1      -6.489   1.057  -0.674  1.00  0.00           O  
HETATM   37  OXT UNL     1      -5.547   0.516  -2.598  1.00  0.00           O  
HETATM   38  O   UNL     1      -1.111  -4.628   0.202  1.00  0.00           O  
HETATM   39  H   UNL     1       3.642  -0.198   1.773  1.00  0.00           H  
HETATM   40  H   UNL     1       7.320   1.467  -1.057  1.00  0.00           H  
HETATM   41  H   UNL     1       7.197   2.112   1.315  1.00  0.00           H  
HETATM   42  H   UNL     1       5.360   1.283   2.727  1.00  0.00           H  
HETATM   43  H   UNL     1       2.200   0.529  -1.106  1.00  0.00           H  
HETATM   44  H   UNL     1       1.945  -0.326   0.435  1.00  0.00           H  
HETATM   45  H   UNL     1       0.182  -0.930  -1.186  1.00  0.00           H  
HETATM   46  H   UNL     1       1.420  -1.457  -2.352  1.00  0.00           H  
HETATM   47  H   UNL     1       2.807  -3.404  -1.822  1.00  0.00           H  
HETATM   48  H   UNL     1       2.552  -4.259  -0.282  1.00  0.00           H  
HETATM   49  H   UNL     1       3.331  -2.273   0.964  1.00  0.00           H  
HETATM   50  H   UNL     1       4.570  -2.800  -0.201  1.00  0.00           H  
HETATM   51  H   UNL     1       1.308  -1.786   1.238  1.00  0.00           H  
HETATM   52  H   UNL     1       1.022  -3.543   1.250  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.641  -3.973   0.370  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.495  -1.741   0.963  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.496  -0.310   1.359  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.226   0.535   2.633  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.128   3.007  -0.715  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.109   2.195  -1.933  1.00  0.00           H  
HETATM   59  HA  UNL     1      -3.526   0.024  -0.951  1.00  0.00           H  
HETATM   60  H   UNL     1       1.542   3.325   2.108  1.00  0.00           H  
HETATM   61  H   UNL     1       2.160   5.082   0.484  1.00  0.00           H  
HETATM   62  H   UNL     1       0.746   5.613  -1.419  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.370   4.422  -1.822  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.704  -5.794   0.809  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.701  -5.336  -0.911  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.568  -6.575  -0.318  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.813   1.529   1.230  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.567   1.456   2.555  1.00  0.00           H  
HETATM   69  HXT UNL     1      -6.425   0.507  -3.001  1.00  0.00           H  
CONECT    1    2    6    6   39                                       
CONECT    2   32    3    3    1                                       
CONECT    3   31    2    2    4                                       
CONECT    4    3    5    5   40                                       
CONECT    5    4    4    6   41                                       
CONECT    6    1    1    5   42                                       
CONECT    7    8   32   43   44                                       
CONECT    8   33    7   45   46                                       
CONECT    9   33   10   47   48                                       
CONECT   10    9   32   49   50                                       
CONECT   11   12   33   51   52                                       
CONECT   12   17   17   13   11                                       
CONECT   13   14   14   12   38                                       
CONECT   14   15   13   13   53                                       
CONECT   15   16   16   14   54                                       
CONECT   16   18   15   15   17                                       
CONECT   17   16   12   12   55                                       
CONECT   18   34   19   16   56                                       
CONECT   19   18   35   20   20                                       
CONECT   20   19   19   24   21                                       
CONECT   21   22   20   57   58                                       
CONECT   22   23   34   21   59                                       
CONECT   23   36   36   37   22                                       
CONECT   24   25   20   29   29                                       
CONECT   25   35   26   26   24                                       
CONECT   26   25   25   27   60                                       
CONECT   27   26   28   28   61                                       
CONECT   28   27   27   29   62                                       
CONECT   29   24   24   28   63                                       
CONECT   30   38   64   65   66                                       
CONECT   31    3                                                      
CONECT   32   10    7    2                                            
CONECT   33    9   11    8                                            
CONECT   34   22   18   67                                            
CONECT   35   19   25   68                                            
CONECT   36   23   23                                                 
CONECT   37   23   69                                                 
CONECT   38   13   30                                                 
CONECT   39    1                                                      
CONECT   40    4                                                      
CONECT   41    5                                                      
CONECT   42    6                                                      
CONECT   43    7                                                      
CONECT   44    7                                                      
CONECT   45    8                                                      
CONECT   46    8                                                      
CONECT   47    9                                                      
CONECT   48    9                                                      
CONECT   49   10                                                      
CONECT   50   10                                                      
CONECT   51   11                                                      
CONECT   52   11                                                      
CONECT   53   14                                                      
CONECT   54   15                                                      
CONECT   55   17                                                      
CONECT   56   18                                                      
CONECT   57   21                                                      
CONECT   58   21                                                      
CONECT   59   22                                                      
CONECT   60   26                                                      
CONECT   61   27                                                      
CONECT   62   28                                                      
CONECT   63   29                                                      
CONECT   64   30                                                      
CONECT   65   30                                                      
CONECT   66   30                                                      
CONECT   67   34                                                      
CONECT   68   35                                                      
CONECT   69   37                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
