COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.475  -0.572   0.482  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.324  -1.307  -0.523  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.466  -1.752  -1.596  1.00  0.00           C  
HETATM    4  C   UNL     1      -8.890  -1.268  -1.501  1.00  0.00           C  
HETATM    5  C   UNL     1      -9.329  -0.199  -2.267  1.00  0.00           C  
HETATM    6  C   UNL     1     -10.642   0.217  -2.154  1.00  0.00           C  
HETATM    7  C   UNL     1     -11.092  -1.413  -0.589  1.00  0.00           C  
HETATM    8  C   UNL     1      -9.794  -1.884  -0.649  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.524   0.929   0.189  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.765   1.687   1.281  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.814   3.188   0.988  1.00  0.00           C  
HETATM   12  O   UNL     1      -4.822  -2.142  -1.245  1.00  0.00           O  
HETATM   13  O   UNL     1       5.828  -2.991   0.707  1.00  0.00           O  
HETATM   14  C   UNL     1      -3.056   3.480  -0.309  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.105   4.980  -0.601  1.00  0.00           C  
HETATM   16  C   UNL     1       5.347  -1.899   0.467  1.00  0.00           C  
HETATM   17  C   UNL     1       6.206  -0.804   0.002  1.00  0.00           C  
HETATM   18  C   UNL     1       5.795   0.512  -0.315  1.00  0.00           C  
HETATM   19  N   UNL     1       6.845   1.189  -0.687  1.00  0.00           N  
HETATM   20  N   UNL     1       7.971   0.360  -0.632  1.00  0.00           N  
HETATM   21  C   UNL     1       9.281   0.736  -0.957  1.00  0.00           C  
HETATM   22  C   UNL     1       9.511   1.634  -1.991  1.00  0.00           C  
HETATM   23  C   UNL     1      10.804   2.003  -2.309  1.00  0.00           C  
HETATM   24  C   UNL     1      11.868   1.478  -1.599  1.00  0.00           C  
HETATM   25  C   UNL     1      11.642   0.583  -0.569  1.00  0.00           C  
HETATM   26  C   UNL     1      10.352   0.216  -0.243  1.00  0.00           C  
HETATM   27  C   UNL     1       7.583  -0.861  -0.204  1.00  0.00           C  
HETATM   28  N   UNL     1       8.395  -1.961  -0.015  1.00  0.00           N  
HETATM   29  N   UNL     1       4.024  -1.696   0.628  1.00  0.00           N  
HETATM   30  C   UNL     1       3.166  -2.789   1.091  1.00  0.00           C  
HETATM   31  C   UNL     1       1.742  -2.304   1.186  1.00  0.00           C  
HETATM   32  C   UNL     1       0.902  -2.416   0.093  1.00  0.00           C  
HETATM   33  C   UNL     1      -0.403  -1.975   0.173  1.00  0.00           C  
HETATM   34  C   UNL     1       1.279  -1.754   2.368  1.00  0.00           C  
HETATM   35  C   UNL     1      -0.023  -1.309   2.462  1.00  0.00           C  
HETATM   36  C   UNL     1      -0.874  -1.414   1.361  1.00  0.00           C  
HETATM   37  C   UNL     1      -2.271  -0.939   1.454  1.00  0.00           C  
HETATM   38  O   UNL     1      -2.681  -0.456   2.492  1.00  0.00           O  
HETATM   39  N   UNL     1      -3.091  -1.042   0.389  1.00  0.00           N  
HETATM   40  C   UNL     1      -3.164   3.954   2.142  1.00  0.00           C  
HETATM   41  C   UNL     1      -3.213   5.455   1.849  1.00  0.00           C  
HETATM   42  C   UNL     1      -2.455   5.746   0.553  1.00  0.00           C  
HETATM   43  N   UNL     1      -6.641  -1.037  -0.619  1.00  0.00           N  
HETATM   44  N   UNL     1     -11.473  -0.390  -1.329  1.00  0.00           N  
HETATM   45  H   UNL     1      -4.856  -0.759   1.486  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.431  -2.821  -1.387  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.085  -1.565  -2.600  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.653   0.303  -2.944  1.00  0.00           H  
HETATM   49  H   UNL     1     -10.991   1.049  -2.747  1.00  0.00           H  
HETATM   50  H   UNL     1     -11.802  -1.887   0.072  1.00  0.00           H  
HETATM   51  H   UNL     1      -9.488  -2.722  -0.040  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.062   1.126  -0.778  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.562   1.262   0.170  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.227   1.490   2.248  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.727   1.354   1.299  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.852   3.503   0.881  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.018   3.164  -0.202  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.519   2.934  -1.131  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.565   5.188  -1.525  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.142   5.296  -0.708  1.00  0.00           H  
HETATM   61  H   UNL     1       4.786   0.891  -0.258  1.00  0.00           H  
HETATM   62  H   UNL     1       8.680   2.044  -2.546  1.00  0.00           H  
HETATM   63  H   UNL     1      10.983   2.701  -3.113  1.00  0.00           H  
HETATM   64  H   UNL     1      12.878   1.764  -1.853  1.00  0.00           H  
HETATM   65  H   UNL     1      12.476   0.175  -0.017  1.00  0.00           H  
HETATM   66  H   UNL     1      10.176  -0.483   0.562  1.00  0.00           H  
HETATM   67  H   UNL     1       9.346  -1.897  -0.195  1.00  0.00           H  
HETATM   68  H   UNL     1       8.015  -2.797   0.297  1.00  0.00           H  
HETATM   69  H   UNL     1       3.640  -0.826   0.436  1.00  0.00           H  
HETATM   70  H   UNL     1       3.221  -3.618   0.386  1.00  0.00           H  
HETATM   71  H   UNL     1       3.502  -3.123   2.073  1.00  0.00           H  
HETATM   72  H   UNL     1       1.268  -2.850  -0.826  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.057  -2.063  -0.681  1.00  0.00           H  
HETATM   74  H   UNL     1       1.939  -1.674   3.220  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.384  -0.880   3.386  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.764  -1.428  -0.438  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.704   3.746   3.066  1.00  0.00           H  
HETATM   78  H   UNL     1      -2.126   3.638   2.249  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.251   5.770   1.743  1.00  0.00           H  
HETATM   80  H   UNL     1      -2.750   6.000   2.672  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.417   5.431   0.660  1.00  0.00           H  
HETATM   82  H   UNL     1      -2.490   6.816   0.344  1.00  0.00           H  
HETATM   83  H   UNL     1      -7.042  -0.369  -0.041  1.00  0.00           H  
CONECT    1   39    2    9   45                                       
CONECT    2   43    1   12   12                                       
CONECT    3    4   43   46   47                                       
CONECT    4    3    5    8    8                                       
CONECT    5    4    6    6   48                                       
CONECT    6   44    5    5   49                                       
CONECT    7   44   44    8   50                                       
CONECT    8    4    4    7   51                                       
CONECT    9    1   10   52   53                                       
CONECT   10    9   11   54   55                                       
CONECT   11   14   10   40   56                                       
CONECT   12    2    2                                                 
CONECT   13   16   16                                                 
CONECT   14   15   11   57   58                                       
CONECT   15   14   42   59   60                                       
CONECT   16   17   13   13   29                                       
CONECT   17   27   27   18   16                                       
CONECT   18   19   19   17   61                                       
CONECT   19   20   18   18                                            
CONECT   20   21   27   19                                            
CONECT   21   26   26   22   20                                       
CONECT   22   23   23   21   62                                       
CONECT   23   24   22   22   63                                       
CONECT   24   25   25   23   64                                       
CONECT   25   24   24   26   65                                       
CONECT   26   25   21   21   66                                       
CONECT   27   28   20   17   17                                       
CONECT   28   27   67   68                                            
CONECT   29   16   30   69                                            
CONECT   30   29   31   70   71                                       
CONECT   31   30   34   34   32                                       
CONECT   32   31   33   33   72                                       
CONECT   33   32   32   36   73                                       
CONECT   34   31   31   35   74                                       
CONECT   35   34   36   36   75                                       
CONECT   36   35   35   33   37                                       
CONECT   37   36   38   38   39                                       
CONECT   38   37   37                                                 
CONECT   39   37    1   76                                            
CONECT   40   11   41   77   78                                       
CONECT   41   42   40   79   80                                       
CONECT   42   15   41   81   82                                       
CONECT   43    3    2   83                                            
CONECT   44    7    7    6                                            
CONECT   45    1                                                      
CONECT   46    3                                                      
CONECT   47    3                                                      
CONECT   48    5                                                      
CONECT   49    6                                                      
CONECT   50    7                                                      
CONECT   51    8                                                      
CONECT   52    9                                                      
CONECT   53    9                                                      
CONECT   54   10                                                      
CONECT   55   10                                                      
CONECT   56   11                                                      
CONECT   57   14                                                      
CONECT   58   14                                                      
CONECT   59   15                                                      
CONECT   60   15                                                      
CONECT   61   18                                                      
CONECT   62   22                                                      
CONECT   63   23                                                      
CONECT   64   24                                                      
CONECT   65   25                                                      
CONECT   66   26                                                      
CONECT   67   28                                                      
CONECT   68   28                                                      
CONECT   69   29                                                      
CONECT   70   30                                                      
CONECT   71   30                                                      
CONECT   72   32                                                      
CONECT   73   33                                                      
CONECT   74   34                                                      
CONECT   75   35                                                      
CONECT   76   39                                                      
CONECT   77   40                                                      
CONECT   78   40                                                      
CONECT   79   41                                                      
CONECT   80   41                                                      
CONECT   81   42                                                      
CONECT   82   42                                                      
CONECT   83   43                                                      
MASTER        0    0    0    0    0    0    0    0   83    0   83    0
END
