COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -9.649  -2.288   1.089  1.00  0.00           O  
HETATM    2  C   UNL     1     -10.051  -1.985  -0.009  1.00  0.00           C  
HETATM    3  O   UNL     1     -11.243  -2.433  -0.434  1.00  0.00           O  
HETATM    4  C   UNL     1      -9.218  -1.098  -0.899  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.921  -0.726  -0.178  1.00  0.00           C  
HETATM    6  O   UNL     1      -7.129  -1.902   0.029  1.00  0.00           O  
HETATM    7  C   UNL     1      -6.006  -1.671   0.878  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.497  -1.407   2.303  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.114   0.248  -1.038  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.723   0.399  -0.477  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.915   1.558  -0.919  1.00  0.00           C  
HETATM   12  O   UNL     1      -5.446   2.495  -1.485  1.00  0.00           O  
HETATM   13  C   UNL     1      -3.465   1.569  -0.669  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.623   2.474  -1.319  1.00  0.00           C  
HETATM   15  O   UNL     1      -3.137   3.366  -2.201  1.00  0.00           O  
HETATM   16  C   UNL     1      -1.254   2.458  -1.060  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.216  -0.481   0.397  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.842  -0.301   0.919  1.00  0.00           C  
HETATM   19  O   UNL     1      -3.470  -0.925   1.894  1.00  0.00           O  
HETATM   20  C   UNL     1      -2.929   0.640   0.249  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.560   0.628   0.505  1.00  0.00           C  
HETATM   22  O   UNL     1      -1.040  -0.260   1.385  1.00  0.00           O  
HETATM   23  C   UNL     1      -0.719   1.548  -0.159  1.00  0.00           C  
HETATM   24  C   UNL     1       0.735   1.541   0.107  1.00  0.00           C  
HETATM   25  C   UNL     1       1.512   0.421  -0.261  1.00  0.00           C  
HETATM   26  O   UNL     1       0.930  -0.646  -0.856  1.00  0.00           O  
HETATM   27  C   UNL     1       2.883   0.421  -0.008  1.00  0.00           C  
HETATM   28  C   UNL     1       3.721  -0.730  -0.378  1.00  0.00           C  
HETATM   29  O   UNL     1       3.216  -1.698  -0.913  1.00  0.00           O  
HETATM   30  C   UNL     1       1.333   2.638   0.712  1.00  0.00           C  
HETATM   31  C   UNL     1       2.703   2.642   0.966  1.00  0.00           C  
HETATM   32  O   UNL     1       3.279   3.717   1.557  1.00  0.00           O  
HETATM   33  C   UNL     1       3.483   1.537   0.612  1.00  0.00           C  
HETATM   34  C   UNL     1       4.929   1.519   0.872  1.00  0.00           C  
HETATM   35  O   UNL     1       5.460   2.475   1.404  1.00  0.00           O  
HETATM   36  C   UNL     1       5.742   0.344   0.490  1.00  0.00           C  
HETATM   37  C   UNL     1       5.174  -0.714  -0.102  1.00  0.00           C  
HETATM   38  C   UNL     1       5.979  -1.921  -0.517  1.00  0.00           C  
HETATM   39  C   UNL     1       6.186  -1.892  -2.033  1.00  0.00           C  
HETATM   40  O   UNL     1       7.250  -1.923   0.130  1.00  0.00           O  
HETATM   41  C   UNL     1       7.219   0.381   0.798  1.00  0.00           C  
HETATM   42  C   UNL     1       7.952  -0.683  -0.019  1.00  0.00           C  
HETATM   43  C   UNL     1       9.384  -0.834   0.497  1.00  0.00           C  
HETATM   44  C   UNL     1      10.129  -1.817  -0.370  1.00  0.00           C  
HETATM   45  O   UNL     1      11.411  -2.109  -0.103  1.00  0.00           O  
HETATM   46  O   UNL     1       9.571  -2.343  -1.304  1.00  0.00           O  
HETATM   47  H   UNL     1      -8.153  -0.265   0.782  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.366  -2.553   0.876  1.00  0.00           H  
HETATM   49  H   UNL     1       5.437  -2.826  -0.245  1.00  0.00           H  
HETATM   50  H   UNL     1       7.967  -0.393  -1.070  1.00  0.00           H  
HETATM   51  H   UNL     1     -11.743  -2.995   0.174  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.982  -1.629  -1.821  1.00  0.00           H  
HETATM   53  H   UNL     1      -9.776  -0.192  -1.134  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.053  -2.273   2.662  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.641  -1.230   2.955  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.145  -0.530   2.308  1.00  0.00           H  
HETATM   57  H   UNL     1      -7.054  -0.134  -2.057  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.608   1.219  -1.043  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.403   4.206  -1.801  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.604   3.158  -1.564  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.771  -1.099   0.984  1.00  0.00           H  
HETATM   62  H   UNL     1       0.907  -0.594  -1.822  1.00  0.00           H  
HETATM   63  H   UNL     1       0.733   3.493   0.988  1.00  0.00           H  
HETATM   64  H   UNL     1       3.300   3.671   2.523  1.00  0.00           H  
HETATM   65  H   UNL     1       6.720  -0.983  -2.310  1.00  0.00           H  
HETATM   66  H   UNL     1       6.767  -2.762  -2.337  1.00  0.00           H  
HETATM   67  H   UNL     1       5.216  -1.911  -2.532  1.00  0.00           H  
HETATM   68  H   UNL     1       7.615   1.365   0.549  1.00  0.00           H  
HETATM   69  H   UNL     1       7.372   0.188   1.860  1.00  0.00           H  
HETATM   70  H   UNL     1       9.886   0.132   0.463  1.00  0.00           H  
HETATM   71  H   UNL     1       9.364  -1.198   1.524  1.00  0.00           H  
HETATM   72  H   UNL     1      11.847  -2.745  -0.687  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    4                                       
CONECT    3    2   51                                                 
CONECT    4    2    5   52   53                                       
CONECT    5    4    9   47    6                                       
CONECT    6    5    7                                                 
CONECT    7    6   17    8   48                                       
CONECT    8    7   54   55   56                                       
CONECT    9    5   10   57   58                                       
CONECT   10    9   11   17   17                                       
CONECT   11   10   13   12   12                                       
CONECT   12   11   11                                                 
CONECT   13   11   14   14   20                                       
CONECT   14   13   13   16   15                                       
CONECT   15   14   59                                                 
CONECT   16   14   23   23   60                                       
CONECT   17    7   10   10   18                                       
CONECT   18   17   20   19   19                                       
CONECT   19   18   18                                                 
CONECT   20   13   18   21   21                                       
CONECT   21   20   20   23   22                                       
CONECT   22   21   61                                                 
CONECT   23   16   16   21   24                                       
CONECT   24   23   25   25   30                                       
CONECT   25   24   24   27   26                                       
CONECT   26   25   62                                                 
CONECT   27   25   28   33   33                                       
CONECT   28   27   37   29   29                                       
CONECT   29   28   28                                                 
CONECT   30   24   31   31   63                                       
CONECT   31   30   30   33   32                                       
CONECT   32   31   64                                                 
CONECT   33   27   27   31   34                                       
CONECT   34   33   36   35   35                                       
CONECT   35   34   34                                                 
CONECT   36   34   41   37   37                                       
CONECT   37   28   36   36   38                                       
CONECT   38   37   40   49   39                                       
CONECT   39   38   65   66   67                                       
CONECT   40   38   42                                                 
CONECT   41   36   42   68   69                                       
CONECT   42   40   41   43   50                                       
CONECT   43   42   44   70   71                                       
CONECT   44   43   46   46   45                                       
CONECT   45   44   72                                                 
CONECT   46   44   44                                                 
CONECT   47    5                                                      
CONECT   48    7                                                      
CONECT   49   38                                                      
CONECT   50   42                                                      
CONECT   51    3                                                      
CONECT   52    4                                                      
CONECT   53    4                                                      
CONECT   54    8                                                      
CONECT   55    8                                                      
CONECT   56    8                                                      
CONECT   57    9                                                      
CONECT   58    9                                                      
CONECT   59   15                                                      
CONECT   60   16                                                      
CONECT   61   22                                                      
CONECT   62   26                                                      
CONECT   63   30                                                      
CONECT   64   32                                                      
CONECT   65   39                                                      
CONECT   66   39                                                      
CONECT   67   39                                                      
CONECT   68   41                                                      
CONECT   69   41                                                      
CONECT   70   43                                                      
CONECT   71   43                                                      
CONECT   72   45                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
