COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1       1.229   1.081  -1.383  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.048   1.514  -0.656  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.612   0.319   0.118  1.00  0.00           C  
HETATM    4  C   UNL     1       0.456  -0.205   1.081  1.00  0.00           C  
HETATM    5  O   UNL     1       1.627  -0.561   0.344  1.00  0.00           O  
HETATM    6  C   UNL     1       2.226   0.528  -0.362  1.00  0.00           C  
HETATM    7  O   UNL     1      -1.763   0.729   0.859  1.00  0.00           O  
HETATM    8  O   UNL     1       3.397   0.070  -1.040  1.00  0.00           O  
HETATM    9  C   UNL     1       4.492  -0.230  -0.171  1.00  0.00           C  
HETATM   10  C   UNL     1       5.202  -1.493  -0.663  1.00  0.00           C  
HETATM   11  C   UNL     1       4.251  -2.687  -0.559  1.00  0.00           C  
HETATM   12  O   UNL     1       1.804   2.207  -2.050  1.00  0.00           O  
HETATM   13  O   UNL     1      -1.012   1.964  -1.610  1.00  0.00           O  
HETATM   14  C   UNL     1      -0.079  -1.437   1.815  1.00  0.00           C  
HETATM   15  O   UNL     1       0.871  -1.857   2.796  1.00  0.00           O  
HETATM   16  C   UNL     1      -2.993   0.597   0.142  1.00  0.00           C  
HETATM   17  C   UNL     1       4.910  -3.920  -1.179  1.00  0.00           C  
HETATM   18  C   UNL     1       3.936  -2.962   0.913  1.00  0.00           C  
HETATM   19  C   UNL     1       5.476   0.941  -0.168  1.00  0.00           C  
HETATM   20  C   UNL     1       4.809   2.167   0.459  1.00  0.00           C  
HETATM   21  C   UNL     1       4.530   1.895   1.938  1.00  0.00           C  
HETATM   22  C   UNL     1       5.738   3.375   0.329  1.00  0.00           C  
HETATM   23  O   UNL     1      -3.306  -0.788  -0.014  1.00  0.00           O  
HETATM   24  C   UNL     1      -4.115   1.288   0.923  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.510  -1.035  -0.743  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.439   1.090   0.179  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.693  -0.410   0.001  1.00  0.00           C  
HETATM   28  H   UNL     1       0.988   0.308  -2.113  1.00  0.00           H  
HETATM   29  H   UNL     1       0.184   2.322   0.038  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.890  -0.470  -0.582  1.00  0.00           H  
HETATM   31  H   UNL     1       0.704   0.570   1.806  1.00  0.00           H  
HETATM   32  H   UNL     1       2.497   1.313   0.343  1.00  0.00           H  
HETATM   33  H   UNL     1       4.118  -0.394   0.840  1.00  0.00           H  
HETATM   34  H   UNL     1       5.505  -1.358  -1.701  1.00  0.00           H  
HETATM   35  H   UNL     1       6.083  -1.676  -0.048  1.00  0.00           H  
HETATM   36  H   UNL     1       3.327  -2.462  -1.092  1.00  0.00           H  
HETATM   37  H   UNL     1       2.617   2.005  -2.533  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.718   2.717  -2.141  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.020  -1.188   2.304  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.243  -2.243   1.100  1.00  0.00           H  
HETATM   41  H   UNL     1       0.598  -2.635   3.301  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.894   1.061  -0.839  1.00  0.00           H  
HETATM   43  H   UNL     1       4.201  -4.747  -1.185  1.00  0.00           H  
HETATM   44  H   UNL     1       5.213  -3.694  -2.202  1.00  0.00           H  
HETATM   45  H   UNL     1       5.787  -4.196  -0.593  1.00  0.00           H  
HETATM   46  H   UNL     1       3.466  -2.083   1.354  1.00  0.00           H  
HETATM   47  H   UNL     1       3.258  -3.812   0.986  1.00  0.00           H  
HETATM   48  H   UNL     1       4.860  -3.187   1.446  1.00  0.00           H  
HETATM   49  H   UNL     1       6.359   0.672   0.412  1.00  0.00           H  
HETATM   50  H   UNL     1       5.770   1.171  -1.192  1.00  0.00           H  
HETATM   51  H   UNL     1       3.871   2.373  -0.056  1.00  0.00           H  
HETATM   52  H   UNL     1       5.468   1.689   2.453  1.00  0.00           H  
HETATM   53  H   UNL     1       4.054   2.768   2.385  1.00  0.00           H  
HETATM   54  H   UNL     1       3.868   1.034   2.031  1.00  0.00           H  
HETATM   55  H   UNL     1       5.938   3.569  -0.725  1.00  0.00           H  
HETATM   56  H   UNL     1       5.263   4.249   0.775  1.00  0.00           H  
HETATM   57  H   UNL     1       6.677   3.169   0.844  1.00  0.00           H  
HETATM   58  O   UNL     1      -3.832   2.684   1.031  1.00  0.00           O  
HETATM   59  H   UNL     1      -4.187   0.851   1.919  1.00  0.00           H  
HETATM   60  C   UNL     1      -4.728  -2.544  -0.873  1.00  0.00           C  
HETATM   61  H   UNL     1      -4.431  -0.592  -1.737  1.00  0.00           H  
HETATM   62  O   UNL     1      -5.367   1.718  -1.102  1.00  0.00           O  
HETATM   63  H   UNL     1      -6.251   1.532   0.757  1.00  0.00           H  
HETATM   64  O   UNL     1      -5.830  -1.027   1.283  1.00  0.00           O  
HETATM   65  H   UNL     1      -6.606  -0.559  -0.575  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.690  -2.733  -1.350  1.00  0.00           H  
HETATM   67  O   UNL     1      -3.683  -3.110  -1.666  1.00  0.00           O  
HETATM   68  H   UNL     1      -4.719  -2.999   0.118  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.003   2.883   1.488  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.201   2.670  -1.064  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.562  -0.679   1.810  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.757  -4.066  -1.791  1.00  0.00           H  
CONECT    1    2    6   12   28                                       
CONECT    2    1    3   13   29                                       
CONECT    3    2    4    7   30                                       
CONECT    4    3    5   14   31                                       
CONECT    5    4    6                                                 
CONECT    6    1    5    8   32                                       
CONECT    7    3   16                                                 
CONECT    8    6    9                                                 
CONECT    9    8   10   19   33                                       
CONECT   10    9   11   34   35                                       
CONECT   11   10   17   18   36                                       
CONECT   12    1   37                                                 
CONECT   13    2   38                                                 
CONECT   14    4   15   39   40                                       
CONECT   15   14   41                                                 
CONECT   16    7   23   24   42                                       
CONECT   17   11   43   44   45                                       
CONECT   18   11   46   47   48                                       
CONECT   19    9   20   49   50                                       
CONECT   20   19   21   22   51                                       
CONECT   21   20   52   53   54                                       
CONECT   22   20   55   56   57                                       
CONECT   23   16   25                                                 
CONECT   24   16   26   58   59                                       
CONECT   25   23   27   60   61                                       
CONECT   26   24   27   62   63                                       
CONECT   27   25   26   64   65                                       
CONECT   28    1                                                      
CONECT   29    2                                                      
CONECT   30    3                                                      
CONECT   31    4                                                      
CONECT   32    6                                                      
CONECT   33    9                                                      
CONECT   34   10                                                      
CONECT   35   10                                                      
CONECT   36   11                                                      
CONECT   37   12                                                      
CONECT   38   13                                                      
CONECT   39   14                                                      
CONECT   40   14                                                      
CONECT   41   15                                                      
CONECT   42   16                                                      
CONECT   43   17                                                      
CONECT   44   17                                                      
CONECT   45   17                                                      
CONECT   46   18                                                      
CONECT   47   18                                                      
CONECT   48   18                                                      
CONECT   49   19                                                      
CONECT   50   19                                                      
CONECT   51   20                                                      
CONECT   52   21                                                      
CONECT   53   21                                                      
CONECT   54   21                                                      
CONECT   55   22                                                      
CONECT   56   22                                                      
CONECT   57   22                                                      
CONECT   58   24   69                                                 
CONECT   59   24                                                      
CONECT   60   25   66   67   68                                       
CONECT   61   25                                                      
CONECT   62   26   70                                                 
CONECT   63   26                                                      
CONECT   64   27   71                                                 
CONECT   65   27                                                      
CONECT   66   60                                                      
CONECT   67   60   72                                                 
CONECT   68   60                                                      
CONECT   69   58                                                      
CONECT   70   62                                                      
CONECT   71   64                                                      
CONECT   72   67                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
