COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.610   6.758  -0.792  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.492   5.234  -0.763  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.951   3.894  -0.250  1.00  0.00           C  
HETATM    4  N   UNL     1       8.560  -0.132   0.734  1.00  0.00           N  
HETATM    5  C   UNL     1      -4.810   2.546   1.534  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.389   3.770   1.057  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.239   0.115   1.199  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.066  -0.112   2.262  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.540  -2.056   1.454  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.378  -3.423   1.157  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.591  -3.790   0.109  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.953  -2.803  -0.660  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.081  -3.204  -1.822  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.385  -4.866  -0.926  1.00  0.00           C  
HETATM   15  C   UNL     1       2.439  -1.055  -0.599  1.00  0.00           C  
HETATM   16  C   UNL     1       4.401   0.029  -1.158  1.00  0.00           C  
HETATM   17  C   UNL     1       5.004  -0.374   0.032  1.00  0.00           C  
HETATM   18  C   UNL     1       4.275  -1.153   0.937  1.00  0.00           C  
HETATM   19  C   UNL     1       2.151  -2.333   1.555  1.00  0.00           C  
HETATM   20  C   UNL     1       7.467  -2.351   0.313  1.00  0.00           C  
HETATM   21  C   UNL     1       6.029   2.548   0.506  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.118  -1.496  -0.363  1.00  0.00           C  
HETATM   23  C   UNL     1       6.857   1.289   0.544  1.00  0.00           C  
HETATM   24  N   UNL     1       8.180   1.214   0.789  1.00  0.00           N  
HETATM   25  C   UNL     1       9.068   2.346   1.068  1.00  0.00           C  
HETATM   26  C   UNL     1       7.503  -0.851   0.463  1.00  0.00           C  
HETATM   27  C   UNL     1       6.403   0.019   0.336  1.00  0.00           C  
HETATM   28  N   UNL     1       3.162  -0.316  -1.435  1.00  0.00           N  
HETATM   29  C   UNL     1       2.977  -1.495   0.613  1.00  0.00           C  
HETATM   30  C   UNL     1       1.051  -1.410  -0.953  1.00  0.00           C  
HETATM   31  O   UNL     1       0.487  -2.634  -0.851  1.00  0.00           O  
HETATM   32  N   UNL     1       0.136  -0.595  -1.418  1.00  0.00           N  
HETATM   33  N   UNL     1      -0.957  -1.245  -1.613  1.00  0.00           N  
HETATM   34  C   UNL     1      -0.784  -2.502  -1.273  1.00  0.00           C  
HETATM   35  N   UNL     1      -1.731  -3.503  -1.339  1.00  0.00           N  
HETATM   36  N   UNL     1      -4.904  -1.117   0.685  1.00  0.00           N  
HETATM   37  N   UNL     1      -6.232  -1.425   2.395  1.00  0.00           N  
HETATM   38  C   UNL     1      -4.794   1.430   0.694  1.00  0.00           C  
HETATM   39  C   UNL     1      -4.357   1.564  -0.626  1.00  0.00           C  
HETATM   40  C   UNL     1      -3.938   2.794  -1.089  1.00  0.00           C  
HETATM   41  N   UNL     1      -2.050   5.382  -0.524  1.00  0.00           N  
HETATM   42  C   UNL     1      -1.282   4.419  -1.325  1.00  0.00           C  
HETATM   43  H   UNL     1      -2.146   7.444  -0.135  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.539   6.840  -0.607  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.821   7.011  -1.831  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.692   5.301  -1.832  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.029   6.026  -0.242  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.146   2.449   2.556  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.400   4.633   1.706  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.511   0.647   2.889  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.873  -4.174   1.755  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.457  -4.834  -0.131  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.499  -4.089  -2.302  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.036  -2.387  -2.542  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.004  -5.420  -1.784  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.622  -4.828  -0.150  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.274  -5.364  -0.538  1.00  0.00           H  
HETATM   58  H   UNL     1       4.957   0.631  -1.862  1.00  0.00           H  
HETATM   59  H   UNL     1       4.717  -1.480   1.867  1.00  0.00           H  
HETATM   60  H   UNL     1       2.214  -3.381   1.260  1.00  0.00           H  
HETATM   61  H   UNL     1       2.530  -2.218   2.570  1.00  0.00           H  
HETATM   62  H   UNL     1       1.112  -2.006   1.515  1.00  0.00           H  
HETATM   63  H   UNL     1       7.267  -2.808   1.282  1.00  0.00           H  
HETATM   64  H   UNL     1       6.680  -2.627  -0.388  1.00  0.00           H  
HETATM   65  H   UNL     1       8.428  -2.701  -0.062  1.00  0.00           H  
HETATM   66  H   UNL     1       6.021   2.947  -0.508  1.00  0.00           H  
HETATM   67  H   UNL     1       5.008   2.321   0.815  1.00  0.00           H  
HETATM   68  H   UNL     1       6.458   3.286   1.184  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.622  -0.745  -0.960  1.00  0.00           H  
HETATM   70  H   UNL     1       9.096   2.530   2.142  1.00  0.00           H  
HETATM   71  H   UNL     1      10.072   2.116   0.712  1.00  0.00           H  
HETATM   72  H   UNL     1       8.696   3.234   0.556  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.343   0.705  -1.281  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.600   2.898  -2.109  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.480   4.588  -2.384  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.218   4.550  -1.130  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.579   3.405  -1.057  1.00  0.00           H  
CONECT    1   41   43   44   45                                       
CONECT    2    3   41   46   47                                       
CONECT    3    2    6    6   40                                       
CONECT    4   26   26   24                                            
CONECT    5    6   38   38   48                                       
CONECT    6    3    3    5   49                                       
CONECT    7   38    8    8   36                                       
CONECT    8    7    7   37   50                                       
CONECT    9   37   37   36   10                                       
CONECT   10    9   11   11   51                                       
CONECT   11   10   10   12   52                                       
CONECT   12   22   22   11   13                                       
CONECT   13   12   35   53   54                                       
CONECT   14   35   55   56   57                                       
CONECT   15   30   28   28   29                                       
CONECT   16   28   17   17   58                                       
CONECT   17   16   16   18   27                                       
CONECT   18   29   29   17   59                                       
CONECT   19   29   60   61   62                                       
CONECT   20   26   63   64   65                                       
CONECT   21   23   66   67   68                                       
CONECT   22   36   12   12   69                                       
CONECT   23   27   27   21   24                                       
CONECT   24   23    4   25                                            
CONECT   25   24   70   71   72                                       
CONECT   26   27   20    4    4                                       
CONECT   27   17   23   23   26                                       
CONECT   28   15   15   16                                            
CONECT   29   15   19   18   18                                       
CONECT   30   31   32   32   15                                       
CONECT   31   34   30                                                 
CONECT   32   33   30   30                                            
CONECT   33   34   34   32                                            
CONECT   34   35   31   33   33                                       
CONECT   35   14   13   34                                            
CONECT   36    7    9   22                                            
CONECT   37    8    9    9                                            
CONECT   38    5    5   39    7                                       
CONECT   39   40   40   38   73                                       
CONECT   40    3   39   39   74                                       
CONECT   41    2   42    1                                            
CONECT   42   41   75   76   77                                       
CONECT   43    1                                                      
CONECT   44    1                                                      
CONECT   45    1                                                      
CONECT   46    2                                                      
CONECT   47    2                                                      
CONECT   48    5                                                      
CONECT   49    6                                                      
CONECT   50    8                                                      
CONECT   51   10                                                      
CONECT   52   11                                                      
CONECT   53   13                                                      
CONECT   54   13                                                      
CONECT   55   14                                                      
CONECT   56   14                                                      
CONECT   57   14                                                      
CONECT   58   16                                                      
CONECT   59   18                                                      
CONECT   60   19                                                      
CONECT   61   19                                                      
CONECT   62   19                                                      
CONECT   63   20                                                      
CONECT   64   20                                                      
CONECT   65   20                                                      
CONECT   66   21                                                      
CONECT   67   21                                                      
CONECT   68   21                                                      
CONECT   69   22                                                      
CONECT   70   25                                                      
CONECT   71   25                                                      
CONECT   72   25                                                      
CONECT   73   39                                                      
CONECT   74   40                                                      
CONECT   75   42                                                      
CONECT   76   42                                                      
CONECT   77   42                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
