COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       1.825  -3.499   1.621  1.00  0.00           O  
HETATM    2  C   UNL     1       1.239  -3.064   0.495  1.00  0.00           C  
HETATM    3  O   UNL     1       0.905  -3.855  -0.356  1.00  0.00           O  
HETATM    4  C   UNL     1       0.998  -1.585   0.289  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.461  -1.352  -0.133  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.775  -2.309  -1.287  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.376  -1.691   1.046  1.00  0.00           C  
HETATM    8  O   UNL     1      -1.513  -3.109   1.183  1.00  0.00           O  
HETATM    9  C   UNL     1      -2.760  -1.107   0.810  1.00  0.00           C  
HETATM   10  O   UNL     1      -3.722  -1.827   0.891  1.00  0.00           O  
HETATM   11  C   UNL     1      -2.832   0.362   0.502  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.230   0.936   0.485  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.772   0.946   1.934  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.225   0.156  -0.372  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.189   2.378   0.019  1.00  0.00           C  
HETATM   16  O   UNL     1      -4.889   3.205   0.563  1.00  0.00           O  
HETATM   17  C   UNL     1      -3.284   2.777  -1.118  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.895   2.180  -0.905  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.997   0.652  -0.742  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.609   0.076  -2.014  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.591   0.107  -0.537  1.00  0.00           C  
HETATM   22  C   UNL     1       0.275   0.350  -1.743  1.00  0.00           C  
HETATM   23  C   UNL     1       1.448  -0.206  -1.802  1.00  0.00           C  
HETATM   24  C   UNL     1       2.282   0.039  -3.031  1.00  0.00           C  
HETATM   25  C   UNL     1       2.013  -1.071  -0.723  1.00  0.00           C  
HETATM   26  C   UNL     1       2.722  -2.270  -1.373  1.00  0.00           C  
HETATM   27  C   UNL     1       3.065  -0.270   0.021  1.00  0.00           C  
HETATM   28  O   UNL     1       4.174  -0.724   0.172  1.00  0.00           O  
HETATM   29  C   UNL     1       2.726   1.091   0.572  1.00  0.00           C  
HETATM   30  C   UNL     1       2.051   0.936   1.936  1.00  0.00           C  
HETATM   31  O   UNL     1       1.837   1.760  -0.326  1.00  0.00           O  
HETATM   32  C   UNL     1       3.988   1.900   0.724  1.00  0.00           C  
HETATM   33  O   UNL     1       5.050   1.341   0.863  1.00  0.00           O  
HETATM   34  O   UNL     1       3.932   3.241   0.705  1.00  0.00           O  
HETATM   35  C   UNL     1       5.187   3.955   0.857  1.00  0.00           C  
HETATM   36  H   UNL     1       1.958  -4.453   1.707  1.00  0.00           H  
HETATM   37  H   UNL     1       1.160  -1.076   1.249  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.928  -3.314  -0.894  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.678  -1.977  -1.799  1.00  0.00           H  
HETATM   40  H   UNL     1       0.059  -2.316  -1.990  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.961  -1.273   1.964  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.083  -3.380   1.916  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.297   0.871   1.349  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.125   1.561   2.560  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.781   1.357   1.942  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.792  -0.072   2.322  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.398  -0.824   0.072  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.167   0.703  -0.423  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.821   0.034  -1.377  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.705   2.464  -2.070  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.199   3.873  -1.132  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.258   2.405  -1.759  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.449   2.597   0.000  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.861   0.071  -2.807  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.945  -0.944  -1.826  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.458   0.688  -2.318  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.141   0.707   0.281  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.063   0.979  -2.536  1.00  0.00           H  
HETATM   59  H   UNL     1       1.775   0.757  -3.677  1.00  0.00           H  
HETATM   60  H   UNL     1       3.253   0.438  -2.738  1.00  0.00           H  
HETATM   61  H   UNL     1       2.421  -0.899  -3.569  1.00  0.00           H  
HETATM   62  H   UNL     1       3.469  -1.910  -2.081  1.00  0.00           H  
HETATM   63  H   UNL     1       3.210  -2.866  -0.602  1.00  0.00           H  
HETATM   64  H   UNL     1       1.990  -2.884  -1.898  1.00  0.00           H  
HETATM   65  H   UNL     1       2.641   0.262   2.558  1.00  0.00           H  
HETATM   66  H   UNL     1       1.982   1.910   2.420  1.00  0.00           H  
HETATM   67  H   UNL     1       1.051   0.524   1.803  1.00  0.00           H  
HETATM   68  H   UNL     1       2.241   2.006  -1.169  1.00  0.00           H  
HETATM   69  H   UNL     1       5.863   3.679   0.048  1.00  0.00           H  
HETATM   70  H   UNL     1       5.001   5.028   0.825  1.00  0.00           H  
HETATM   71  H   UNL     1       5.640   3.694   1.814  1.00  0.00           H  
CONECT    1    2   36                                                 
CONECT    2    4    3    3    1                                       
CONECT    3    2    2                                                 
CONECT    4   25    5    2   37                                       
CONECT    5    6   21    4    7                                       
CONECT    6    5   38   39   40                                       
CONECT    7    5    9    8   41                                       
CONECT    8    7   42                                                 
CONECT    9   11   10   10    7                                       
CONECT   10    9    9                                                 
CONECT   11   19   12    9   43                                       
CONECT   12   14   15   11   13                                       
CONECT   13   12   44   45   46                                       
CONECT   14   12   47   48   49                                       
CONECT   15   17   12   16   16                                       
CONECT   16   15   15                                                 
CONECT   17   18   15   50   51                                       
CONECT   18   17   19   52   53                                       
CONECT   19   20   18   21   11                                       
CONECT   20   19   54   55   56                                       
CONECT   21   22   19    5   57                                       
CONECT   22   23   23   21   58                                       
CONECT   23   24   22   22   25                                       
CONECT   24   23   59   60   61                                       
CONECT   25   26   23   27    4                                       
CONECT   26   25   62   63   64                                       
CONECT   27   25   28   28   29                                       
CONECT   28   27   27                                                 
CONECT   29   27   30   32   31                                       
CONECT   30   29   65   66   67                                       
CONECT   31   29   68                                                 
CONECT   32   29   33   33   34                                       
CONECT   33   32   32                                                 
CONECT   34   32   35                                                 
CONECT   35   34   69   70   71                                       
CONECT   36    1                                                      
CONECT   37    4                                                      
CONECT   38    6                                                      
CONECT   39    6                                                      
CONECT   40    6                                                      
CONECT   41    7                                                      
CONECT   42    8                                                      
CONECT   43   11                                                      
CONECT   44   13                                                      
CONECT   45   13                                                      
CONECT   46   13                                                      
CONECT   47   14                                                      
CONECT   48   14                                                      
CONECT   49   14                                                      
CONECT   50   17                                                      
CONECT   51   17                                                      
CONECT   52   18                                                      
CONECT   53   18                                                      
CONECT   54   20                                                      
CONECT   55   20                                                      
CONECT   56   20                                                      
CONECT   57   21                                                      
CONECT   58   22                                                      
CONECT   59   24                                                      
CONECT   60   24                                                      
CONECT   61   24                                                      
CONECT   62   26                                                      
CONECT   63   26                                                      
CONECT   64   26                                                      
CONECT   65   30                                                      
CONECT   66   30                                                      
CONECT   67   30                                                      
CONECT   68   31                                                      
CONECT   69   35                                                      
CONECT   70   35                                                      
CONECT   71   35                                                      
MASTER        0    0    0    0    0    0    0    0   71    0   71    0
END
