COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.492  -1.614   0.182  1.00  0.00           C  
HETATM    2  C   UNL     1       0.514   1.960  -0.918  1.00  0.00           C  
HETATM    3  C   UNL     1       1.679  -0.316   0.604  1.00  0.00           C  
HETATM    4  C   UNL     1       2.943   0.256   0.547  1.00  0.00           C  
HETATM    5  C   UNL     1       0.623   3.039   1.208  1.00  0.00           C  
HETATM    6  C   UNL     1       4.022  -0.470   0.076  1.00  0.00           C  
HETATM    7  C   UNL     1       5.372   1.448   0.475  1.00  0.00           C  
HETATM    8  C   UNL     1       0.551   0.529   1.141  1.00  0.00           C  
HETATM    9  C   UNL     1       0.563   1.873   0.460  1.00  0.00           C  
HETATM   10  C   UNL     1       0.631   4.253   0.539  1.00  0.00           C  
HETATM   11  C   UNL     1       0.580   4.261  -0.842  1.00  0.00           C  
HETATM   12  N   UNL     1       0.523   3.132  -1.521  1.00  0.00           N  
HETATM   13  N   UNL     1      -0.730  -0.137   0.885  1.00  0.00           N  
HETATM   14  C   UNL     1       2.574  -2.345  -0.292  1.00  0.00           C  
HETATM   15  O   UNL     1      -1.685   1.724   0.136  1.00  0.00           O  
HETATM   16  C   UNL     1      -1.794   0.546   0.416  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.088  -0.136   0.242  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.945   0.236  -0.805  1.00  0.00           C  
HETATM   19  O   UNL     1      -3.585   1.225  -1.661  1.00  0.00           O  
HETATM   20  C   UNL     1      -5.159  -0.410  -0.961  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.526  -1.421  -0.085  1.00  0.00           C  
HETATM   22  O   UNL     1      -6.717  -2.052  -0.241  1.00  0.00           O  
HETATM   23  C   UNL     1      -4.676  -1.791   0.953  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.465  -1.160   1.116  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.808  -1.581   1.160  1.00  0.00           C  
HETATM   26  C   UNL     1       0.147  -2.293   0.203  1.00  0.00           C  
HETATM   27  O   UNL     1       5.258   0.095   0.028  1.00  0.00           O  
HETATM   28  C   UNL     1       3.836  -1.784  -0.343  1.00  0.00           C  
HETATM   29  O   UNL     1       4.889  -2.510  -0.805  1.00  0.00           O  
HETATM   30  C   UNL     1       4.621  -3.851  -1.217  1.00  0.00           C  
HETATM   31  H   UNL     1       0.471   1.056  -1.508  1.00  0.00           H  
HETATM   32  H   UNL     1       3.085   1.276   0.873  1.00  0.00           H  
HETATM   33  H   UNL     1       0.662   3.002   2.287  1.00  0.00           H  
HETATM   34  H   UNL     1       6.407   1.775   0.383  1.00  0.00           H  
HETATM   35  H   UNL     1       4.733   2.087  -0.135  1.00  0.00           H  
HETATM   36  H   UNL     1       5.061   1.513   1.518  1.00  0.00           H  
HETATM   37  H   UNL     1       0.680   0.666   2.215  1.00  0.00           H  
HETATM   38  H   UNL     1       0.677   5.181   1.090  1.00  0.00           H  
HETATM   39  H   UNL     1       0.586   5.203  -1.371  1.00  0.00           H  
HETATM   40  H   UNL     1       2.428  -3.364  -0.621  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.865   2.108  -1.383  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.822  -0.126  -1.765  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.677  -2.830  -0.813  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.968  -2.580   1.631  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.807  -1.453   1.921  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.511  -1.777   2.190  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.826  -1.934   0.995  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.276  -2.280  -0.802  1.00  0.00           H  
HETATM   49  H   UNL     1       0.273  -3.327   0.525  1.00  0.00           H  
HETATM   50  H   UNL     1       4.221  -4.417  -0.376  1.00  0.00           H  
HETATM   51  H   UNL     1       3.892  -3.843  -2.028  1.00  0.00           H  
HETATM   52  H   UNL     1       5.544  -4.317  -1.563  1.00  0.00           H  
CONECT    1   14   14    3   26                                       
CONECT    2    9    9   12   31                                       
CONECT    3    4    4    1    8                                       
CONECT    4    6    3    3   32                                       
CONECT    5    9   10   10   33                                       
CONECT    6   27   28   28    4                                       
CONECT    7   27   34   35   36                                       
CONECT    8    3   13    9   37                                       
CONECT    9    8    2    2    5                                       
CONECT   10    5    5   11   38                                       
CONECT   11   12   12   10   39                                       
CONECT   12    2   11   11                                            
CONECT   13    8   16   25                                            
CONECT   14   28    1    1   40                                       
CONECT   15   16   16                                                 
CONECT   16   15   15   17   13                                       
CONECT   17   18   16   24   24                                       
CONECT   18   19   20   20   17                                       
CONECT   19   18   41                                                 
CONECT   20   18   18   21   42                                       
CONECT   21   20   22   23   23                                       
CONECT   22   21   43                                                 
CONECT   23   21   21   24   44                                       
CONECT   24   17   17   23   45                                       
CONECT   25   13   26   46   47                                       
CONECT   26    1   25   48   49                                       
CONECT   27    7    6                                                 
CONECT   28   29    6    6   14                                       
CONECT   29   28   30                                                 
CONECT   30   29   50   51   52                                       
CONECT   31    2                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    7                                                      
CONECT   35    7                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38   10                                                      
CONECT   39   11                                                      
CONECT   40   14                                                      
CONECT   41   19                                                      
CONECT   42   20                                                      
CONECT   43   22                                                      
CONECT   44   23                                                      
CONECT   45   24                                                      
CONECT   46   25                                                      
CONECT   47   25                                                      
CONECT   48   26                                                      
CONECT   49   26                                                      
CONECT   50   30                                                      
CONECT   51   30                                                      
CONECT   52   30                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
