COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.590  -0.968  -0.815  1.00  0.00           C  
HETATM    2  C   UNL     1       8.599  -1.787  -0.007  1.00  0.00           C  
HETATM    3  C   UNL     1       9.768  -2.189  -0.908  1.00  0.00           C  
HETATM    4  C   UNL     1       9.119  -0.947   1.161  1.00  0.00           C  
HETATM    5  C   UNL     1       6.382  -0.677   0.037  1.00  0.00           C  
HETATM    6  O   UNL     1       6.332  -1.085   1.178  1.00  0.00           O  
HETATM    7  N   UNL     1       5.356   0.036  -0.470  1.00  0.00           N  
HETATM    8  C   UNL     1       4.181   0.319   0.358  1.00  0.00           C  
HETATM    9  C   UNL     1       2.986   0.552  -0.529  1.00  0.00           C  
HETATM   10  O   UNL     1       3.141   0.956  -1.662  1.00  0.00           O  
HETATM   11  C   UNL     1       4.441   1.568   1.202  1.00  0.00           C  
HETATM   12  C   UNL     1       3.259   1.801   2.146  1.00  0.00           C  
HETATM   13  C   UNL     1       5.718   1.373   2.023  1.00  0.00           C  
HETATM   14  N   UNL     1       1.744   0.311  -0.064  1.00  0.00           N  
HETATM   15  C   UNL     1       0.591   0.428  -0.960  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.646   0.721  -0.150  1.00  0.00           C  
HETATM   17  O   UNL     1      -0.572   0.823   1.056  1.00  0.00           O  
HETATM   18  C   UNL     1       0.401  -0.885  -1.722  1.00  0.00           C  
HETATM   19  C   UNL     1       1.657  -1.184  -2.544  1.00  0.00           C  
HETATM   20  C   UNL     1       0.161  -2.023  -0.727  1.00  0.00           C  
HETATM   21  N   UNL     1      -1.835   0.871  -0.767  1.00  0.00           N  
HETATM   22  O   UNL     1      -6.205  -1.999   1.999  1.00  0.00           O  
HETATM   23  P   UNL     1      -4.064  -0.346   0.128  1.00  0.00           P  
HETATM   24  C   UNL     1      -6.452  -1.208   1.119  1.00  0.00           C  
HETATM   25  C   UNL     1      -8.211  -2.674   0.459  1.00  0.00           C  
HETATM   26  O   UNL     1      -7.460  -1.447   0.265  1.00  0.00           O  
HETATM   27  C   UNL     1      -9.310  -2.772  -0.601  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.038   1.156   0.020  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.837   2.272  -0.656  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.011   3.560  -0.661  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.627   0.046   0.980  1.00  0.00           C  
HETATM   32  O   UNL     1      -3.336  -1.387   0.887  1.00  0.00           O  
HETATM   33  O   UNL     1      -4.382  -0.887  -1.355  1.00  0.00           O  
HETATM   34  C   UNL     1      -3.743   4.633  -1.469  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.818   4.048   0.776  1.00  0.00           C  
HETATM   36  H   UNL     1       7.286  -1.533  -1.696  1.00  0.00           H  
HETATM   37  H   UNL     1       8.050  -0.030  -1.126  1.00  0.00           H  
HETATM   38  H   UNL     1       8.113  -2.683   0.379  1.00  0.00           H  
HETATM   39  H   UNL     1      10.487  -2.772  -0.332  1.00  0.00           H  
HETATM   40  H   UNL     1       9.398  -2.788  -1.739  1.00  0.00           H  
HETATM   41  H   UNL     1      10.254  -1.293  -1.293  1.00  0.00           H  
HETATM   42  H   UNL     1       9.605  -0.050   0.775  1.00  0.00           H  
HETATM   43  H   UNL     1       8.286  -0.660   1.802  1.00  0.00           H  
HETATM   44  H   UNL     1       9.838  -1.530   1.737  1.00  0.00           H  
HETATM   45  H   UNL     1       5.396   0.362  -1.383  1.00  0.00           H  
HETATM   46  H   UNL     1       3.987  -0.529   1.015  1.00  0.00           H  
HETATM   47  H   UNL     1       4.559   2.431   0.547  1.00  0.00           H  
HETATM   48  H   UNL     1       3.407   2.734   2.689  1.00  0.00           H  
HETATM   49  H   UNL     1       2.338   1.860   1.566  1.00  0.00           H  
HETATM   50  H   UNL     1       3.191   0.975   2.854  1.00  0.00           H  
HETATM   51  H   UNL     1       5.600   0.510   2.678  1.00  0.00           H  
HETATM   52  H   UNL     1       6.560   1.207   1.350  1.00  0.00           H  
HETATM   53  H   UNL     1       5.903   2.263   2.624  1.00  0.00           H  
HETATM   54  H   UNL     1       1.614   0.060   0.864  1.00  0.00           H  
HETATM   55  H   UNL     1       0.762   1.238  -1.668  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.457  -0.798  -2.388  1.00  0.00           H  
HETATM   57  H   UNL     1       1.523  -2.119  -3.087  1.00  0.00           H  
HETATM   58  H   UNL     1       1.828  -0.373  -3.252  1.00  0.00           H  
HETATM   59  H   UNL     1       2.515  -1.271  -1.877  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.733  -1.810  -0.141  1.00  0.00           H  
HETATM   61  H   UNL     1       0.027  -2.958  -1.270  1.00  0.00           H  
HETATM   62  H   UNL     1       1.019  -2.110  -0.060  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.895   0.790  -1.732  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.541  -3.529   0.367  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.662  -2.671   1.451  1.00  0.00           H  
HETATM   66  H   UNL     1      -9.874  -3.693  -0.456  1.00  0.00           H  
HETATM   67  H   UNL     1      -9.980  -1.917  -0.509  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.859  -2.774  -1.593  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.749   1.472   1.023  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.066   1.984  -1.682  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.765   2.438  -0.109  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.038   3.366  -1.112  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.411   0.450   1.969  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.182   0.783   0.400  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.859  -0.255  -1.910  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.155   5.550  -1.473  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.880   4.286  -2.494  1.00  0.00           H  
HETATM   78  H   UNL     1      -4.716   4.827  -1.018  1.00  0.00           H  
HETATM   79  H   UNL     1      -3.791   4.153   1.258  1.00  0.00           H  
HETATM   80  H   UNL     1      -2.216   3.326   1.328  1.00  0.00           H  
HETATM   81  H   UNL     1      -2.311   5.013   0.768  1.00  0.00           H  
CONECT    1    5    2   36   37                                       
CONECT    2    3    4    1   38                                       
CONECT    3    2   39   40   41                                       
CONECT    4    2   42   43   44                                       
CONECT    5    1    7    6    6                                       
CONECT    6    5    5                                                 
CONECT    7    5    8   45                                            
CONECT    8    7    9   11   46                                       
CONECT    9    8   10   10   14                                       
CONECT   10    9    9                                                 
CONECT   11   12   13    8   47                                       
CONECT   12   11   48   49   50                                       
CONECT   13   11   51   52   53                                       
CONECT   14    9   15   54                                            
CONECT   15   16   14   18   55                                       
CONECT   16   21   15   17   17                                       
CONECT   17   16   16                                                 
CONECT   18   19   20   15   56                                       
CONECT   19   18   57   58   59                                       
CONECT   20   18   60   61   62                                       
CONECT   21   16   28   63                                            
CONECT   22   24   24                                                 
CONECT   23   32   32   28   33                                       
CONECT   23   31                                                      
CONECT   24   22   22   31   26                                       
CONECT   25   26   27   64   65                                       
CONECT   26   24   25                                                 
CONECT   27   25   66   67   68                                       
CONECT   28   23   21   29   69                                       
CONECT   29   28   30   70   71                                       
CONECT   30   34   35   29   72                                       
CONECT   31   23   24   73   74                                       
CONECT   32   23   23                                                 
CONECT   33   23   75                                                 
CONECT   34   30   76   77   78                                       
CONECT   35   30   79   80   81                                       
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    2                                                      
CONECT   39    3                                                      
CONECT   40    3                                                      
CONECT   41    3                                                      
CONECT   42    4                                                      
CONECT   43    4                                                      
CONECT   44    4                                                      
CONECT   45    7                                                      
CONECT   46    8                                                      
CONECT   47   11                                                      
CONECT   48   12                                                      
CONECT   49   12                                                      
CONECT   50   12                                                      
CONECT   51   13                                                      
CONECT   52   13                                                      
CONECT   53   13                                                      
CONECT   54   14                                                      
CONECT   55   15                                                      
CONECT   56   18                                                      
CONECT   57   19                                                      
CONECT   58   19                                                      
CONECT   59   19                                                      
CONECT   60   20                                                      
CONECT   61   20                                                      
CONECT   62   20                                                      
CONECT   63   21                                                      
CONECT   64   25                                                      
CONECT   65   25                                                      
CONECT   66   27                                                      
CONECT   67   27                                                      
CONECT   68   27                                                      
CONECT   69   28                                                      
CONECT   70   29                                                      
CONECT   71   29                                                      
CONECT   72   30                                                      
CONECT   73   31                                                      
CONECT   74   31                                                      
CONECT   75   33                                                      
CONECT   76   34                                                      
CONECT   77   34                                                      
CONECT   78   34                                                      
CONECT   79   35                                                      
CONECT   80   35                                                      
CONECT   81   35                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
