COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.194  -4.762   1.331  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.843  -3.469   0.907  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.578  -3.267   0.338  1.00  0.00           C  
HETATM    4  N   UNL     1       0.237  -4.312   0.224  1.00  0.00           N  
HETATM    5  N   UNL     1      -1.309  -5.746   1.174  1.00  0.00           N  
HETATM    6  C   UNL     1      -0.133  -5.511   0.635  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.937  -3.413   1.766  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.998  -2.613   1.204  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.117  -1.159   0.935  1.00  0.00           C  
HETATM   10  C   UNL     1       1.114  -1.807  -0.563  1.00  0.00           C  
HETATM   11  C   UNL     1       1.360  -0.855  -1.544  1.00  0.00           C  
HETATM   12  C   UNL     1       2.647  -0.652  -2.000  1.00  0.00           C  
HETATM   13  C   UNL     1       3.691  -1.395  -1.481  1.00  0.00           C  
HETATM   14  C   UNL     1       3.450  -2.344  -0.504  1.00  0.00           C  
HETATM   15  C   UNL     1       2.165  -2.552  -0.043  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.238  -0.661   0.273  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.345   0.697   0.025  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.332   1.562   0.438  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.219   1.064   1.095  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.111  -0.288   1.350  1.00  0.00           C  
HETATM   21  C   UNL     1       5.095  -1.171  -1.980  1.00  0.00           C  
HETATM   22  C   UNL     1       6.455  -0.389  -0.050  1.00  0.00           C  
HETATM   23  C   UNL     1       6.950   0.895   0.489  1.00  0.00           C  
HETATM   24  C   UNL     1       6.477   1.890  -0.391  1.00  0.00           C  
HETATM   25  C   UNL     1       5.711   1.176  -1.434  1.00  0.00           C  
HETATM   26  C   UNL     1       7.714   1.253   1.588  1.00  0.00           C  
HETATM   27  C   UNL     1       8.009   2.589   1.814  1.00  0.00           C  
HETATM   28  C   UNL     1       7.546   3.564   0.951  1.00  0.00           C  
HETATM   29  C   UNL     1       6.780   3.221  -0.152  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.364   3.724   0.644  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.658   5.181   0.283  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.480   5.918   2.438  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.428   6.829   0.405  1.00  0.00           C  
HETATM   34  C   UNL     1      -6.148   0.420  -1.505  1.00  0.00           C  
HETATM   35  C   UNL     1      -7.294   0.993  -2.299  1.00  0.00           C  
HETATM   36  C   UNL     1      -7.887  -0.095  -3.196  1.00  0.00           C  
HETATM   37  N   UNL     1      -3.460  -4.693   1.849  1.00  0.00           N  
HETATM   38  N   UNL     1      -0.187  -2.011  -0.095  1.00  0.00           N  
HETATM   39  N   UNL     1      -5.470   1.202  -0.641  1.00  0.00           N  
HETATM   40  N   UNL     1       5.745  -0.141  -1.166  1.00  0.00           N  
HETATM   41  N   UNL     1      -3.829   5.646   1.038  1.00  0.00           N  
HETATM   42  O   UNL     1      -3.437   2.896   0.194  1.00  0.00           O  
HETATM   43  O   UNL     1       6.658  -1.485   0.432  1.00  0.00           O  
HETATM   44  O   UNL     1       5.146   1.693  -2.377  1.00  0.00           O  
HETATM   45  O   UNL     1      -5.837  -0.744  -1.643  1.00  0.00           O  
HETATM   46  H   UNL     1       0.559  -6.333   0.523  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.912  -3.089   2.099  1.00  0.00           H  
HETATM   48  H   UNL     1       0.544  -0.275  -1.950  1.00  0.00           H  
HETATM   49  H   UNL     1       2.839   0.088  -2.763  1.00  0.00           H  
HETATM   50  H   UNL     1       4.268  -2.923  -0.101  1.00  0.00           H  
HETATM   51  H   UNL     1       1.978  -3.293   0.720  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.021  -1.333  -0.047  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.436   1.737   1.414  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.244  -0.673   1.867  1.00  0.00           H  
HETATM   55  H   UNL     1       5.660  -2.101  -1.909  1.00  0.00           H  
HETATM   56  H   UNL     1       5.063  -0.844  -3.020  1.00  0.00           H  
HETATM   57  H   UNL     1       8.078   0.495   2.265  1.00  0.00           H  
HETATM   58  H   UNL     1       8.605   2.869   2.670  1.00  0.00           H  
HETATM   59  H   UNL     1       7.782   4.601   1.138  1.00  0.00           H  
HETATM   60  H   UNL     1       6.421   3.987  -0.823  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.437   3.411   0.164  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.262   3.631   1.725  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.796   5.799   0.535  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.860   5.258  -0.785  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.365   6.260   2.974  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.105   5.006   2.903  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.711   6.689   2.478  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.687   7.628   0.355  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.757   6.575  -0.602  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.282   7.163   0.994  1.00  0.00           H  
HETATM   71  H   UNL     1      -8.061   1.360  -1.617  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.932   1.816  -2.916  1.00  0.00           H  
HETATM   73  H   UNL     1      -7.120  -0.462  -3.878  1.00  0.00           H  
HETATM   74  H   UNL     1      -8.248  -0.918  -2.579  1.00  0.00           H  
HETATM   75  H   UNL     1      -8.716   0.319  -3.770  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.951  -5.445   2.215  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.817  -1.273  -0.074  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.760   2.113  -0.481  1.00  0.00           H  
CONECT    1   37    5    5    2                                       
CONECT    2    8    1    3    3                                       
CONECT    3    2    2   38    4                                       
CONECT    4    3    6    6                                            
CONECT    5    1    1    6                                            
CONECT    6    5    4    4   46                                       
CONECT    7   37    8    8   47                                       
CONECT    8    7    7    9    2                                       
CONECT    9   16    8   20   20                                       
CONECT   10   11   38   15   15                                       
CONECT   11   12   12   10   48                                       
CONECT   12   11   11   13   49                                       
CONECT   13   12   21   14   14                                       
CONECT   14   13   13   15   50                                       
CONECT   15   10   10   14   51                                       
CONECT   16   17   17    9   52                                       
CONECT   17   39   16   16   18                                       
CONECT   18   17   42   19   19                                       
CONECT   19   18   18   20   53                                       
CONECT   20    9    9   19   54                                       
CONECT   21   40   13   55   56                                       
CONECT   22   43   43   23   40                                       
CONECT   23   26   22   24   24                                       
CONECT   24   23   23   29   25                                       
CONECT   25   24   40   44   44                                       
CONECT   26   27   27   23   57                                       
CONECT   27   26   26   28   58                                       
CONECT   28   27   29   29   59                                       
CONECT   29   28   28   24   60                                       
CONECT   30   42   31   61   62                                       
CONECT   31   41   30   63   64                                       
CONECT   32   41   65   66   67                                       
CONECT   33   41   68   69   70                                       
CONECT   34   35   45   45   39                                       
CONECT   35   36   34   71   72                                       
CONECT   36   35   73   74   75                                       
CONECT   37    7    1   76                                            
CONECT   38    3   10   77                                            
CONECT   39   34   17   78                                            
CONECT   40   22   25   21                                            
CONECT   41   32   33   31                                            
CONECT   42   18   30                                                 
CONECT   43   22   22                                                 
CONECT   44   25   25                                                 
CONECT   45   34   34                                                 
CONECT   46    6                                                      
CONECT   47    7                                                      
CONECT   48   11                                                      
CONECT   49   12                                                      
CONECT   50   14                                                      
CONECT   51   15                                                      
CONECT   52   16                                                      
CONECT   53   19                                                      
CONECT   54   20                                                      
CONECT   55   21                                                      
CONECT   56   21                                                      
CONECT   57   26                                                      
CONECT   58   27                                                      
CONECT   59   28                                                      
CONECT   60   29                                                      
CONECT   61   30                                                      
CONECT   62   30                                                      
CONECT   63   31                                                      
CONECT   64   31                                                      
CONECT   65   32                                                      
CONECT   66   32                                                      
CONECT   67   32                                                      
CONECT   68   33                                                      
CONECT   69   33                                                      
CONECT   70   33                                                      
CONECT   71   35                                                      
CONECT   72   35                                                      
CONECT   73   36                                                      
CONECT   74   36                                                      
CONECT   75   36                                                      
CONECT   76   37                                                      
CONECT   77   38                                                      
CONECT   78   39                                                      
MASTER        0    0    0    0    0    0    0    0   78    0   78    0
END
