COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.602  -0.824  -0.071  1.00  0.00           C  
HETATM    2  C   UNL     1       4.027   0.472  -0.357  1.00  0.00           C  
HETATM    3  C   UNL     1       3.140   1.521  -0.236  1.00  0.00           C  
HETATM    4  C   UNL     1       1.810   1.291   0.176  1.00  0.00           C  
HETATM    5  C   UNL     1       1.380  -0.004   0.463  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.041  -0.250   0.903  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.917  -0.508  -0.325  1.00  0.00           C  
HETATM    8  C   UNL     1       2.266  -1.066   0.338  1.00  0.00           C  
HETATM    9  C   UNL     1       4.510  -1.972  -0.185  1.00  0.00           C  
HETATM   10  N   UNL     1       1.882  -2.340   0.609  1.00  0.00           N  
HETATM   11  C   UNL     1       2.711  -3.345   0.492  1.00  0.00           C  
HETATM   12  N   UNL     1       2.255  -4.607   0.782  1.00  0.00           N  
HETATM   13  N   UNL     1       4.015  -3.195   0.112  1.00  0.00           N  
HETATM   14  O   UNL     1       5.667  -1.829  -0.536  1.00  0.00           O  
HETATM   15  N   UNL     1       3.247   2.891  -0.441  1.00  0.00           N  
HETATM   16  N   UNL     1       1.188   2.497   0.201  1.00  0.00           N  
HETATM   17  C   UNL     1       2.028   3.437  -0.160  1.00  0.00           C  
HETATM   18  N   UNL     1       1.725   4.777  -0.243  1.00  0.00           N  
HETATM   19  C   UNL     1       2.751   5.736  -0.659  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.353   0.265   0.618  1.00  0.00           C  
HETATM   21  O   UNL     1      -5.015   1.528   0.705  1.00  0.00           O  
HETATM   22  C   UNL     1      -4.875   2.171   1.974  1.00  0.00           C  
HETATM   23  O   UNL     1      -2.921   0.440   0.698  1.00  0.00           O  
HETATM   24  C   UNL     1      -2.359  -0.758   0.121  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.253  -1.066  -1.100  1.00  0.00           C  
HETATM   26  O   UNL     1      -3.436  -2.477  -1.243  1.00  0.00           O  
HETATM   27  C   UNL     1      -4.595  -0.378  -0.765  1.00  0.00           C  
HETATM   28  O   UNL     1      -5.648  -1.342  -0.692  1.00  0.00           O  
HETATM   29  C   UNL     1      -6.944  -0.810  -0.974  1.00  0.00           C  
HETATM   30  H   UNL     1       5.044   0.654  -0.672  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.072  -1.119   1.560  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.412   0.624   1.437  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.885   0.361  -0.983  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.545  -1.382  -0.860  1.00  0.00           H  
HETATM   35  H   UNL     1       1.337  -4.737   1.066  1.00  0.00           H  
HETATM   36  H   UNL     1       2.851  -5.368   0.703  1.00  0.00           H  
HETATM   37  H   UNL     1       4.588  -3.975   0.046  1.00  0.00           H  
HETATM   38  H   UNL     1       4.039   3.370  -0.729  1.00  0.00           H  
HETATM   39  H   UNL     1       0.831   5.087  -0.025  1.00  0.00           H  
HETATM   40  H   UNL     1       3.588   5.698   0.038  1.00  0.00           H  
HETATM   41  H   UNL     1       3.101   5.483  -1.660  1.00  0.00           H  
HETATM   42  H   UNL     1       2.329   6.741  -0.665  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.698  -0.399   1.411  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.294   1.535   2.753  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.819   2.347   2.178  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.405   3.124   1.959  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.396  -1.578   0.838  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.821  -0.644  -2.007  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.990  -2.727  -1.995  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.828   0.387  -1.506  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.956  -0.397  -1.982  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.687  -1.604  -0.897  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.178  -0.023  -0.256  1.00  0.00           H  
CONECT    1    2    2    8    9                                       
CONECT    2    3    1    1   30                                       
CONECT    3   15    4    4    2                                       
CONECT    4   16    3    3    5                                       
CONECT    5    4    6    8    8                                       
CONECT    6    7    5   31   32                                       
CONECT    7   24    6   33   34                                       
CONECT    8    5    5    1   10                                       
CONECT    9    1   14   14   13                                       
CONECT   10    8   11   11                                            
CONECT   11   10   10   13   12                                       
CONECT   12   11   35   36                                            
CONECT   13    9   11   37                                            
CONECT   14    9    9                                                 
CONECT   15   17    3   38                                            
CONECT   16   17   17    4                                            
CONECT   17   18   16   16   15                                       
CONECT   18   19   17   39                                            
CONECT   19   18   40   41   42                                       
CONECT   20   21   27   23   43                                       
CONECT   21   22   20                                                 
CONECT   22   21   44   45   46                                       
CONECT   23   20   24                                                 
CONECT   24   25   23    7   47                                       
CONECT   25   27   26   24   48                                       
CONECT   26   25   49                                                 
CONECT   27   20   25   28   50                                       
CONECT   28   27   29                                                 
CONECT   29   28   51   52   53                                       
CONECT   30    2                                                      
CONECT   31    6                                                      
CONECT   32    6                                                      
CONECT   33    7                                                      
CONECT   34    7                                                      
CONECT   35   12                                                      
CONECT   36   12                                                      
CONECT   37   13                                                      
CONECT   38   15                                                      
CONECT   39   18                                                      
CONECT   40   19                                                      
CONECT   41   19                                                      
CONECT   42   19                                                      
CONECT   43   20                                                      
CONECT   44   22                                                      
CONECT   45   22                                                      
CONECT   46   22                                                      
CONECT   47   24                                                      
CONECT   48   25                                                      
CONECT   49   26                                                      
CONECT   50   27                                                      
CONECT   51   29                                                      
CONECT   52   29                                                      
CONECT   53   29                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
