COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -0.908   4.926  -0.457  1.00  0.00           O  
HETATM    2  C   UNL     1       1.009   0.317   0.373  1.00  0.00           C  
HETATM    3  C   UNL     1       1.228   1.372  -0.438  1.00  0.00           C  
HETATM    4  C   UNL     1       2.407   1.108  -1.163  1.00  0.00           C  
HETATM    5  C   UNL     1       2.863  -0.098  -0.768  1.00  0.00           C  
HETATM    6  C   UNL     1       5.302  -0.297  -0.510  1.00  0.00           C  
HETATM    7  C   UNL     1       6.629  -0.733  -0.729  1.00  0.00           C  
HETATM    8  C   UNL     1       7.428  -0.067   0.157  1.00  0.00           C  
HETATM    9  C   UNL     1       6.494   0.814   0.942  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.804  -0.511   1.559  1.00  0.00           C  
HETATM   11  C   UNL     1      -7.788  -0.081   0.520  1.00  0.00           C  
HETATM   12  C   UNL     1      -7.078   0.101  -0.603  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.670  -0.211  -0.270  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.243  -0.531  -0.518  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.792  -1.789  -0.337  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.579  -1.704   0.375  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.335  -0.397   0.602  1.00  0.00           C  
HETATM   18  O   UNL     1       2.139  -4.778  -0.677  1.00  0.00           O  
HETATM   19  C   UNL     1       1.170  -4.328   0.134  1.00  0.00           C  
HETATM   20  O   UNL     1       0.990  -4.851   1.209  1.00  0.00           O  
HETATM   21  C   UNL     1       0.304  -3.171  -0.295  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.714  -2.861   0.804  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.462  -3.054  -0.809  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.512  -0.142  -1.232  1.00  0.00           C  
HETATM   25  C   UNL     1      -7.610   0.537  -1.944  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.456   2.053  -2.085  1.00  0.00           C  
HETATM   27  C   UNL     1      -9.273   0.108   0.697  1.00  0.00           C  
HETATM   28  O   UNL     1      -7.055  -0.778   2.711  1.00  0.00           O  
HETATM   29  N   UNL     1      -5.589  -0.553   0.983  1.00  0.00           N  
HETATM   30  N   UNL     1      -2.356   0.327   0.061  1.00  0.00           N  
HETATM   31  C   UNL     1      -0.143   0.165   1.333  1.00  0.00           C  
HETATM   32  C   UNL     1       0.370   2.605  -0.549  1.00  0.00           C  
HETATM   33  C   UNL     1       0.858   3.657   0.450  1.00  0.00           C  
HETATM   34  C   UNL     1       0.000   4.891   0.339  1.00  0.00           C  
HETATM   35  O   UNL     1       0.245   5.952   1.124  1.00  0.00           O  
HETATM   36  C   UNL     1       3.042   2.008  -2.192  1.00  0.00           C  
HETATM   37  N   UNL     1       2.006  -0.591   0.171  1.00  0.00           N  
HETATM   38  C   UNL     1       4.103  -0.785  -1.280  1.00  0.00           C  
HETATM   39  C   UNL     1       7.079  -1.744  -1.752  1.00  0.00           C  
HETATM   40  C   UNL     1       8.833  -0.179   0.303  1.00  0.00           C  
HETATM   41  C   UNL     1       9.473   0.556   1.227  1.00  0.00           C  
HETATM   42  O   UNL     1       6.795   1.575   1.836  1.00  0.00           O  
HETATM   43  N   UNL     1       5.257   0.587   0.458  1.00  0.00           N  
HETATM   44  H   UNL     1       2.668  -5.522  -0.359  1.00  0.00           H  
HETATM   45  H   UNL     1       0.929  -2.296  -0.470  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.221  -3.432  -1.214  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.188  -2.600   1.723  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.339  -3.737   0.979  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.108  -3.301  -1.810  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.222  -3.869  -0.126  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.542  -2.905  -0.833  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.687  -0.827  -2.061  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.417   0.875  -1.613  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.051   0.040  -2.736  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.664   0.271  -2.021  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.840   2.369  -3.055  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.015   2.551  -1.293  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.401   2.319  -2.008  1.00  0.00           H  
HETATM   59  H   UNL     1      -9.548  -0.118   1.727  1.00  0.00           H  
HETATM   60  H   UNL     1      -9.537   1.141   0.469  1.00  0.00           H  
HETATM   61  H   UNL     1      -9.808  -0.561   0.023  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.435   1.294   0.080  1.00  0.00           H  
HETATM   63  H   UNL     1       0.142  -0.512   2.138  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.399   1.139   1.750  1.00  0.00           H  
HETATM   65  H   UNL     1       0.438   3.006  -1.560  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.666   2.348  -0.328  1.00  0.00           H  
HETATM   67  H   UNL     1       0.791   3.257   1.461  1.00  0.00           H  
HETATM   68  H   UNL     1       1.894   3.914   0.229  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.332   6.720   1.017  1.00  0.00           H  
HETATM   70  H   UNL     1       3.750   2.677  -1.702  1.00  0.00           H  
HETATM   71  H   UNL     1       3.566   1.402  -2.931  1.00  0.00           H  
HETATM   72  H   UNL     1       2.269   2.595  -2.687  1.00  0.00           H  
HETATM   73  H   UNL     1       2.094  -1.444   0.625  1.00  0.00           H  
HETATM   74  H   UNL     1       4.001  -1.863  -1.149  1.00  0.00           H  
HETATM   75  H   UNL     1       4.233  -0.559  -2.338  1.00  0.00           H  
HETATM   76  H   UNL     1       7.321  -1.235  -2.685  1.00  0.00           H  
HETATM   77  H   UNL     1       7.962  -2.266  -1.383  1.00  0.00           H  
HETATM   78  H   UNL     1       6.279  -2.464  -1.927  1.00  0.00           H  
HETATM   79  H   UNL     1       9.390  -0.855  -0.329  1.00  0.00           H  
HETATM   80  H   UNL     1      10.544   0.470   1.338  1.00  0.00           H  
HETATM   81  H   UNL     1       8.917   1.232   1.859  1.00  0.00           H  
CONECT    1   34   34                                                 
CONECT    2   37    3    3   31                                       
CONECT    3    4    2    2   32                                       
CONECT    4   36    5    5    3                                       
CONECT    5   38    4    4   37                                       
CONECT    6    7   43   43   38                                       
CONECT    7    8    8   39    6                                       
CONECT    8   40    9    7    7                                       
CONECT    9   42   42    8   43                                       
CONECT   10   28   28   11   29                                       
CONECT   11   10   27   12   12                                       
CONECT   12   11   11   13   25                                       
CONECT   13   29   29   12   24                                       
CONECT   14   30   24   15   15                                       
CONECT   15   14   14   16   23                                       
CONECT   16   17   17   15   22                                       
CONECT   17   30   31   16   16                                       
CONECT   18   19   44                                                 
CONECT   19   21   20   20   18                                       
CONECT   20   19   19                                                 
CONECT   21   22   19   45   46                                       
CONECT   22   16   21   47   48                                       
CONECT   23   15   49   50   51                                       
CONECT   24   13   14   52   53                                       
CONECT   25   12   26   54   55                                       
CONECT   26   25   56   57   58                                       
CONECT   27   11   59   60   61                                       
CONECT   28   10   10                                                 
CONECT   29   10   13   13                                            
CONECT   30   17   14   62                                            
CONECT   31    2   17   63   64                                       
CONECT   32    3   33   65   66                                       
CONECT   33   34   32   67   68                                       
CONECT   34    1    1   35   33                                       
CONECT   35   34   69                                                 
CONECT   36    4   70   71   72                                       
CONECT   37    5    2   73                                            
CONECT   38    6    5   74   75                                       
CONECT   39    7   76   77   78                                       
CONECT   40   41   41    8   79                                       
CONECT   41   40   40   80   81                                       
CONECT   42    9    9                                                 
CONECT   43    9    6    6                                            
CONECT   44   18                                                      
CONECT   45   21                                                      
CONECT   46   21                                                      
CONECT   47   22                                                      
CONECT   48   22                                                      
CONECT   49   23                                                      
CONECT   50   23                                                      
CONECT   51   23                                                      
CONECT   52   24                                                      
CONECT   53   24                                                      
CONECT   54   25                                                      
CONECT   55   25                                                      
CONECT   56   26                                                      
CONECT   57   26                                                      
CONECT   58   26                                                      
CONECT   59   27                                                      
CONECT   60   27                                                      
CONECT   61   27                                                      
CONECT   62   30                                                      
CONECT   63   31                                                      
CONECT   64   31                                                      
CONECT   65   32                                                      
CONECT   66   32                                                      
CONECT   67   33                                                      
CONECT   68   33                                                      
CONECT   69   35                                                      
CONECT   70   36                                                      
CONECT   71   36                                                      
CONECT   72   36                                                      
CONECT   73   37                                                      
CONECT   74   38                                                      
CONECT   75   38                                                      
CONECT   76   39                                                      
CONECT   77   39                                                      
CONECT   78   39                                                      
CONECT   79   40                                                      
CONECT   80   41                                                      
CONECT   81   41                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
