COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.966   0.952  -0.127  1.00  0.00           C  
HETATM    2  C   UNL     1       6.796  -0.563   0.708  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.458  -0.897   0.562  1.00  0.00           C  
HETATM    4  C   UNL     1       4.553  -0.684   0.171  1.00  0.00           C  
HETATM    5  C   UNL     1       4.718  -1.998  -0.283  1.00  0.00           C  
HETATM    6  C   UNL     1       6.006  -2.579  -0.217  1.00  0.00           C  
HETATM    7  C   UNL     1       2.630  -1.484  -0.550  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.732  -2.050  -0.149  1.00  0.00           C  
HETATM    9  C   UNL     1      -9.000  -2.265  -0.657  1.00  0.00           C  
HETATM   10  C   UNL     1      -9.994  -1.326  -0.452  1.00  0.00           C  
HETATM   11  O   UNL     1       6.196  -3.721  -0.601  1.00  0.00           O  
HETATM   12  N   UNL     1       7.020  -1.839   0.282  1.00  0.00           N  
HETATM   13  N   UNL     1       7.847   0.167   1.204  1.00  0.00           N  
HETATM   14  N   UNL     1       5.605  -0.012   0.652  1.00  0.00           N  
HETATM   15  N   UNL     1       3.507  -2.431  -0.710  1.00  0.00           N  
HETATM   16  N   UNL     1       3.230  -0.384  -0.008  1.00  0.00           N  
HETATM   17  C   UNL     1       2.576   0.885   0.322  1.00  0.00           C  
HETATM   18  O   UNL     1       1.147   0.709   0.424  1.00  0.00           O  
HETATM   19  C   UNL     1       2.734   1.898  -0.840  1.00  0.00           C  
HETATM   20  O   UNL     1       3.965   2.616  -0.727  1.00  0.00           O  
HETATM   21  C   UNL     1       1.524   2.838  -0.618  1.00  0.00           C  
HETATM   22  O   UNL     1       1.927   4.014   0.086  1.00  0.00           O  
HETATM   23  C   UNL     1       0.551   2.004   0.237  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.788   1.861  -0.489  1.00  0.00           C  
HETATM   25  O   UNL     1      -1.731   1.161   0.367  1.00  0.00           O  
HETATM   26  O   UNL     1      -3.247   1.339  -1.244  1.00  0.00           O  
HETATM   27  N   UNL     1      -3.888   0.309   0.616  1.00  0.00           N  
HETATM   28  C   UNL     1      -5.232   0.082   0.078  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.076  -0.663   1.115  1.00  0.00           C  
HETATM   30  C   UNL     1      -9.721  -0.173   0.259  1.00  0.00           C  
HETATM   31  C   UNL     1      -8.451   0.044   0.762  1.00  0.00           C  
HETATM   32  H   UNL     1       1.583  -1.558  -0.807  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.956  -2.783  -0.309  1.00  0.00           H  
HETATM   34  H   UNL     1      -9.214  -3.166  -1.213  1.00  0.00           H  
HETATM   35  H   UNL     1     -10.985  -1.494  -0.849  1.00  0.00           H  
HETATM   36  H   UNL     1       7.704   1.078   1.508  1.00  0.00           H  
HETATM   37  H   UNL     1       8.732  -0.226   1.251  1.00  0.00           H  
HETATM   38  H   UNL     1       2.982   1.295   1.247  1.00  0.00           H  
HETATM   39  H   UNL     1       2.665   1.397  -1.806  1.00  0.00           H  
HETATM   40  H   UNL     1       4.109   3.262  -1.432  1.00  0.00           H  
HETATM   41  H   UNL     1       1.065   3.101  -1.571  1.00  0.00           H  
HETATM   42  H   UNL     1       2.585   4.547  -0.382  1.00  0.00           H  
HETATM   43  H   UNL     1       0.401   2.485   1.204  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.179   2.849  -0.728  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.644   1.294  -1.409  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.662  -0.003   1.506  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.699   1.040  -0.150  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.163  -0.515  -0.831  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.145  -0.066   2.024  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.609  -1.621   1.343  1.00  0.00           H  
HETATM   51  H   UNL     1     -10.497   0.560   0.418  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.237   0.945   1.318  1.00  0.00           H  
HETATM   53  H   UNL     1       7.912  -2.216   0.337  1.00  0.00           H  
CONECT    1   25   26   26   27                                       
CONECT    2   12   13   14   14                                       
CONECT    3    8    8   31   29                                       
CONECT    4    5    5   14   16                                       
CONECT    5    6   15    4    4                                       
CONECT    6   11   11   12    5                                       
CONECT    7   15   15   16   32                                       
CONECT    8    9    3    3   33                                       
CONECT    9   10   10    8   34                                       
CONECT   10    9    9   30   35                                       
CONECT   11    6    6                                                 
CONECT   12    6    2   53                                            
CONECT   13    2   36   37                                            
CONECT   14    2    2    4                                            
CONECT   15    5    7    7                                            
CONECT   16    4    7   17                                            
CONECT   17   16   19   18   38                                       
CONECT   18   17   23                                                 
CONECT   19   17   20   21   39                                       
CONECT   20   19   40                                                 
CONECT   21   19   23   22   41                                       
CONECT   22   21   42                                                 
CONECT   23   18   21   24   43                                       
CONECT   24   23   25   44   45                                       
CONECT   25   24    1                                                 
CONECT   26    1    1                                                 
CONECT   27    1   28   46                                            
CONECT   28   29   27   47   48                                       
CONECT   29    3   28   49   50                                       
CONECT   30   10   31   31   51                                       
CONECT   31   30   30    3   52                                       
CONECT   32    7                                                      
CONECT   33    8                                                      
CONECT   34    9                                                      
CONECT   35   10                                                      
CONECT   36   13                                                      
CONECT   37   13                                                      
CONECT   38   17                                                      
CONECT   39   19                                                      
CONECT   40   20                                                      
CONECT   41   21                                                      
CONECT   42   22                                                      
CONECT   43   23                                                      
CONECT   44   24                                                      
CONECT   45   24                                                      
CONECT   46   27                                                      
CONECT   47   28                                                      
CONECT   48   28                                                      
CONECT   49   29                                                      
CONECT   50   29                                                      
CONECT   51   30                                                      
CONECT   52   31                                                      
CONECT   53   12                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
