COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.380   0.474   1.017  1.00  0.00           C  
HETATM    2  C   UNL     1       6.921   0.109  -0.954  1.00  0.00           C  
HETATM    3  C   UNL     1       9.369   0.103  -0.565  1.00  0.00           C  
HETATM    4  C   UNL     1      11.039  -0.604  -2.111  1.00  0.00           C  
HETATM    5  C   UNL     1       4.254  -1.600   0.713  1.00  0.00           C  
HETATM    6  C   UNL     1       4.447  -2.903   0.268  1.00  0.00           C  
HETATM    7  C   UNL     1       3.381  -3.640  -0.212  1.00  0.00           C  
HETATM    8  C   UNL     1       2.117  -3.087  -0.252  1.00  0.00           C  
HETATM    9  C   UNL     1       1.912  -1.780   0.192  1.00  0.00           C  
HETATM   10  C   UNL     1       2.989  -1.036   0.676  1.00  0.00           C  
HETATM   11  C   UNL     1       0.560  -1.185   0.149  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.740  -1.311  -0.454  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.841   0.034  -0.787  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.084   0.618  -0.925  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.233  -0.138  -0.730  1.00  0.00           C  
HETATM   16  C   UNL     1       6.480   1.287   1.649  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.131  -1.482  -0.397  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.888  -2.067  -0.259  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.575  -0.042  -0.162  1.00  0.00           C  
HETATM   20  C   UNL     1      -7.387  -1.521   1.409  1.00  0.00           C  
HETATM   21  C   UNL     1      -8.661  -1.015   1.218  1.00  0.00           C  
HETATM   22  C   UNL     1      -8.835   0.019   0.293  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.195   2.077  -1.286  1.00  0.00           C  
HETATM   24  C   UNL     1       6.437   2.701   1.115  1.00  0.00           C  
HETATM   25  C   UNL     1     -10.179   0.599   0.056  1.00  0.00           C  
HETATM   26  C   UNL     1     -10.354   1.633  -0.868  1.00  0.00           C  
HETATM   27  C   UNL     1     -11.629   2.140  -1.053  1.00  0.00           C  
HETATM   28  C   UNL     1     -12.678   1.613  -0.323  1.00  0.00           C  
HETATM   29  C   UNL     1     -11.290   0.118   0.748  1.00  0.00           C  
HETATM   30  C   UNL     1       6.798   2.931  -0.336  1.00  0.00           C  
HETATM   31  C   UNL     1       8.147   2.259  -0.615  1.00  0.00           C  
HETATM   32  C   UNL     1       8.074   0.786  -0.209  1.00  0.00           C  
HETATM   33  C   UNL     1       7.839   0.672   1.303  1.00  0.00           C  
HETATM   34  N   UNL     1       5.336  -0.861   1.203  1.00  0.00           N  
HETATM   35  N   UNL     1      -0.479  -1.905  -0.320  1.00  0.00           N  
HETATM   36  N   UNL     1      -5.493   0.455  -0.870  1.00  0.00           N  
HETATM   37  N   UNL     1      -6.380  -1.019   0.712  1.00  0.00           N  
HETATM   38  N   UNL     1      -7.776   0.474  -0.372  1.00  0.00           N  
HETATM   39  N   UNL     1     -12.483   0.637   0.543  1.00  0.00           N  
HETATM   40  O   UNL     1       4.531   1.020   0.345  1.00  0.00           O  
HETATM   41  O   UNL     1      10.036  -0.415   0.299  1.00  0.00           O  
HETATM   42  O   UNL     1       9.782   0.071  -1.842  1.00  0.00           O  
HETATM   43  O   UNL     1       6.123   3.624   1.828  1.00  0.00           O  
HETATM   44  O   UNL     1       0.384  -0.046   0.536  1.00  0.00           O  
HETATM   45  H   UNL     1       6.696  -0.848  -0.483  1.00  0.00           H  
HETATM   46  H   UNL     1       6.039   0.749  -0.916  1.00  0.00           H  
HETATM   47  H   UNL     1       7.207  -0.055  -1.993  1.00  0.00           H  
HETATM   48  H   UNL     1      11.255  -0.557  -3.178  1.00  0.00           H  
HETATM   49  H   UNL     1      11.840  -0.115  -1.557  1.00  0.00           H  
HETATM   50  H   UNL     1      10.966  -1.646  -1.800  1.00  0.00           H  
HETATM   51  H   UNL     1       5.434  -3.341   0.298  1.00  0.00           H  
HETATM   52  H   UNL     1       3.537  -4.652  -0.556  1.00  0.00           H  
HETATM   53  H   UNL     1       1.286  -3.666  -0.628  1.00  0.00           H  
HETATM   54  H   UNL     1       2.836  -0.024   1.021  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.948   0.622  -0.938  1.00  0.00           H  
HETATM   56  H   UNL     1       6.349   1.301   2.731  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.024  -2.071  -0.246  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.809  -3.113  -0.001  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.217  -2.316   2.119  1.00  0.00           H  
HETATM   60  H   UNL     1      -9.500  -1.406   1.773  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.227   2.182  -2.371  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.106   2.490  -0.854  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.331   2.615  -0.895  1.00  0.00           H  
HETATM   64  H   UNL     1      -9.516   2.026  -1.424  1.00  0.00           H  
HETATM   65  H   UNL     1     -11.801   2.939  -1.758  1.00  0.00           H  
HETATM   66  H   UNL     1     -13.674   2.007  -0.464  1.00  0.00           H  
HETATM   67  H   UNL     1     -11.170  -0.683   1.462  1.00  0.00           H  
HETATM   68  H   UNL     1       6.032   2.495  -0.978  1.00  0.00           H  
HETATM   69  H   UNL     1       6.872   4.001  -0.530  1.00  0.00           H  
HETATM   70  H   UNL     1       8.376   2.332  -1.678  1.00  0.00           H  
HETATM   71  H   UNL     1       8.927   2.756  -0.039  1.00  0.00           H  
HETATM   72  H   UNL     1       8.627   1.207   1.834  1.00  0.00           H  
HETATM   73  H   UNL     1       7.853  -0.379   1.594  1.00  0.00           H  
HETATM   74  H   UNL     1       6.055  -1.308   1.676  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.353  -2.835  -0.564  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.609   1.214  -1.462  1.00  0.00           H  
CONECT    1   40   40   16   34                                       
CONECT    2   32   45   46   47                                       
CONECT    3   42   41   41   32                                       
CONECT    4   42   48   49   50                                       
CONECT    5   34    6    6   10                                       
CONECT    6    5    5    7   51                                       
CONECT    7    6    8    8   52                                       
CONECT    8    7    7    9   53                                       
CONECT    9   10   10    8   11                                       
CONECT   10    5    9    9   54                                       
CONECT   11    9   35   44   44                                       
CONECT   12   35   13   13   18                                       
CONECT   13   12   12   14   55                                       
CONECT   14   13   23   15   15                                       
CONECT   15   14   14   17   36                                       
CONECT   16   24   33    1   56                                       
CONECT   17   18   18   15   57                                       
CONECT   18   12   17   17   58                                       
CONECT   19   38   36   37   37                                       
CONECT   20   21   21   37   59                                       
CONECT   21   22   20   20   60                                       
CONECT   22   25   38   38   21                                       
CONECT   23   14   61   62   63                                       
CONECT   24   30   43   43   16                                       
CONECT   25   29   26   26   22                                       
CONECT   26   27   25   25   64                                       
CONECT   27   28   28   26   65                                       
CONECT   28   27   27   39   66                                       
CONECT   29   39   39   25   67                                       
CONECT   30   31   24   68   69                                       
CONECT   31   32   30   70   71                                       
CONECT   32   31    3    2   33                                       
CONECT   33   32   16   72   73                                       
CONECT   34    1    5   74                                            
CONECT   35   11   12   75                                            
CONECT   36   15   19   76                                            
CONECT   37   19   19   20                                            
CONECT   38   22   22   19                                            
CONECT   39   28   29   29                                            
CONECT   40    1    1                                                 
CONECT   41    3    3                                                 
CONECT   42    4    3                                                 
CONECT   43   24   24                                                 
CONECT   44   11   11                                                 
CONECT   45    2                                                      
CONECT   46    2                                                      
CONECT   47    2                                                      
CONECT   48    4                                                      
CONECT   49    4                                                      
CONECT   50    4                                                      
CONECT   51    6                                                      
CONECT   52    7                                                      
CONECT   53    8                                                      
CONECT   54   10                                                      
CONECT   55   13                                                      
CONECT   56   16                                                      
CONECT   57   17                                                      
CONECT   58   18                                                      
CONECT   59   20                                                      
CONECT   60   21                                                      
CONECT   61   23                                                      
CONECT   62   23                                                      
CONECT   63   23                                                      
CONECT   64   26                                                      
CONECT   65   27                                                      
CONECT   66   28                                                      
CONECT   67   29                                                      
CONECT   68   30                                                      
CONECT   69   30                                                      
CONECT   70   31                                                      
CONECT   71   31                                                      
CONECT   72   33                                                      
CONECT   73   33                                                      
CONECT   74   34                                                      
CONECT   75   35                                                      
CONECT   76   36                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
