COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       4.731  -0.910   0.319  1.00  0.00           O  
HETATM    2  C   UNL     1       4.308   0.221   0.184  1.00  0.00           C  
HETATM    3  O   UNL     1       5.163   1.240  -0.019  1.00  0.00           O  
HETATM    4  C   UNL     1       6.578   0.914  -0.064  1.00  0.00           C  
HETATM    5  C   UNL     1       6.838  -0.073  -1.203  1.00  0.00           C  
HETATM    6  C   UNL     1       7.388   2.191  -0.300  1.00  0.00           C  
HETATM    7  C   UNL     1       6.998   0.282   1.265  1.00  0.00           C  
HETATM    8  N   UNL     1       2.981   0.454   0.230  1.00  0.00           N  
HETATM    9  C   UNL     1       2.049  -0.657   0.445  1.00  0.00           C  
HETATM   10  C   UNL     1       0.703  -0.301  -0.132  1.00  0.00           C  
HETATM   11  O   UNL     1       0.380   0.862  -0.246  1.00  0.00           O  
HETATM   12  C   UNL     1       1.908  -0.921   1.945  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.142  -1.276  -0.522  1.00  0.00           N  
HETATM   14  C   UNL     1      -1.438  -1.072  -1.186  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.341  -0.248  -0.305  1.00  0.00           C  
HETATM   16  O   UNL     1      -1.947   0.136   0.776  1.00  0.00           O  
HETATM   17  C   UNL     1      -2.059  -2.466  -1.416  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.337  -3.347  -0.361  1.00  0.00           C  
HETATM   19  C   UNL     1       0.083  -2.724  -0.359  1.00  0.00           C  
HETATM   20  N   UNL     1      -3.586   0.061  -0.718  1.00  0.00           N  
HETATM   21  C   UNL     1      -4.463   0.863   0.139  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.148   1.942  -0.701  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.968   2.856   0.213  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.088   2.769  -1.432  1.00  0.00           C  
HETATM   25  B   UNL     1      -5.552  -0.065   0.786  1.00  0.00           B  
HETATM   26  O   UNL     1      -5.564  -1.455   0.496  1.00  0.00           O  
HETATM   27  O   UNL     1      -6.524   0.485   1.662  1.00  0.00           O  
HETATM   28  H   UNL     1       6.538   0.377  -2.149  1.00  0.00           H  
HETATM   29  H   UNL     1       7.900  -0.317  -1.237  1.00  0.00           H  
HETATM   30  H   UNL     1       6.261  -0.982  -1.035  1.00  0.00           H  
HETATM   31  H   UNL     1       7.202   2.894   0.512  1.00  0.00           H  
HETATM   32  H   UNL     1       8.450   1.946  -0.334  1.00  0.00           H  
HETATM   33  H   UNL     1       7.088   2.641  -1.246  1.00  0.00           H  
HETATM   34  H   UNL     1       6.421  -0.627   1.433  1.00  0.00           H  
HETATM   35  H   UNL     1       8.060   0.038   1.231  1.00  0.00           H  
HETATM   36  H   UNL     1       6.813   0.986   2.077  1.00  0.00           H  
HETATM   37  H   UNL     1       2.643   1.356   0.122  1.00  0.00           H  
HETATM   38  H   UNL     1       2.431  -1.551  -0.048  1.00  0.00           H  
HETATM   39  H   UNL     1       1.285  -1.802   2.101  1.00  0.00           H  
HETATM   40  H   UNL     1       2.893  -1.091   2.379  1.00  0.00           H  
HETATM   41  H   UNL     1       1.444  -0.059   2.424  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.290  -0.568  -2.140  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.132  -2.445  -1.231  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.846  -2.821  -2.425  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.811  -3.252   0.616  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.305  -4.389  -0.679  1.00  0.00           H  
HETATM   47  H   UNL     1       0.672  -3.112  -1.190  1.00  0.00           H  
HETATM   48  H   UNL     1       0.584  -2.926   0.588  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.900  -0.246  -1.582  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.873   1.334   0.925  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.808   1.472  -1.430  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.308   3.327   0.942  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.456   3.626  -0.386  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.723   2.267   0.733  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.505   2.118  -2.083  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.576   3.539  -2.030  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.429   3.240  -0.703  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.270  -1.944   0.941  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.151  -0.163   2.011  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    8                                       
CONECT    3    2    4                                                 
CONECT    4    3    5    6    7                                       
CONECT    5    4   28   29   30                                       
CONECT    6    4   31   32   33                                       
CONECT    7    4   34   35   36                                       
CONECT    8    9   37    2                                            
CONECT    9    8   10   12   38                                       
CONECT   10    9   11   11   13                                       
CONECT   11   10   10                                                 
CONECT   12    9   39   40   41                                       
CONECT   13   14   19   10                                            
CONECT   14   13   15   17   42                                       
CONECT   15   14   16   16   20                                       
CONECT   16   15   15                                                 
CONECT   17   14   18   43   44                                       
CONECT   18   17   19   45   46                                       
CONECT   19   13   18   47   48                                       
CONECT   20   21   49   15                                            
CONECT   21   20   22   25   50                                       
CONECT   22   21   23   24   51                                       
CONECT   23   22   52   53   54                                       
CONECT   24   22   55   56   57                                       
CONECT   25   21   26   27                                            
CONECT   26   25   58                                                 
CONECT   27   25   59                                                 
CONECT   28    5                                                      
CONECT   29    5                                                      
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32    6                                                      
CONECT   33    6                                                      
CONECT   34    7                                                      
CONECT   35    7                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38    9                                                      
CONECT   39   12                                                      
CONECT   40   12                                                      
CONECT   41   12                                                      
CONECT   42   14                                                      
CONECT   43   17                                                      
CONECT   44   17                                                      
CONECT   45   18                                                      
CONECT   46   18                                                      
CONECT   47   19                                                      
CONECT   48   19                                                      
CONECT   49   20                                                      
CONECT   50   21                                                      
CONECT   51   22                                                      
CONECT   52   23                                                      
CONECT   53   23                                                      
CONECT   54   23                                                      
CONECT   55   24                                                      
CONECT   56   24                                                      
CONECT   57   24                                                      
CONECT   58   26                                                      
CONECT   59   27                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
