COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.455  -1.139  -0.207  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.673  -0.500   0.061  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.804  -1.227   0.503  1.00  0.00           C  
HETATM    4  N   UNL     1      -5.744  -2.601   0.685  1.00  0.00           N  
HETATM    5  C   UNL     1      -6.972  -0.524   0.748  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.000   0.851   0.556  1.00  0.00           C  
HETATM    7  C   UNL     1      -8.278   1.602   0.827  1.00  0.00           C  
HETATM    8  N   UNL     1      -5.945   1.515   0.147  1.00  0.00           N  
HETATM    9  C   UNL     1      -4.783   0.901  -0.109  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.664   1.630  -0.547  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.492   0.989  -0.802  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.377  -0.394  -0.634  1.00  0.00           C  
HETATM   13  N   UNL     1      -1.158  -1.028  -0.904  1.00  0.00           N  
HETATM   14  C   UNL     1       0.002  -0.387  -0.661  1.00  0.00           C  
HETATM   15  O   UNL     1      -0.006   0.703  -0.123  1.00  0.00           O  
HETATM   16  N   UNL     1       1.172  -0.955  -1.016  1.00  0.00           N  
HETATM   17  C   UNL     1       2.382  -0.336  -0.678  1.00  0.00           C  
HETATM   18  C   UNL     1       3.473  -1.107  -0.338  1.00  0.00           C  
HETATM   19  C   UNL     1       4.680  -0.481  -0.001  1.00  0.00           C  
HETATM   20  C   UNL     1       5.825  -1.236   0.354  1.00  0.00           C  
HETATM   21  N   UNL     1       5.788  -2.622   0.380  1.00  0.00           N  
HETATM   22  C   UNL     1       6.982  -0.546   0.675  1.00  0.00           C  
HETATM   23  C   UNL     1       6.988   0.843   0.639  1.00  0.00           C  
HETATM   24  C   UNL     1       8.255   1.579   0.990  1.00  0.00           C  
HETATM   25  N   UNL     1       5.921   1.531   0.308  1.00  0.00           N  
HETATM   26  C   UNL     1       4.768   0.931  -0.013  1.00  0.00           C  
HETATM   27  C   UNL     1       3.636   1.687  -0.364  1.00  0.00           C  
HETATM   28  C   UNL     1       2.475   1.059  -0.694  1.00  0.00           C  
HETATM   29  H   UNL     1      -3.361  -2.207  -0.075  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.918  -3.079   0.509  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.529  -3.085   0.988  1.00  0.00           H  
HETATM   32  H   UNL     1      -7.857  -1.043   1.085  1.00  0.00           H  
HETATM   33  H   UNL     1      -8.297   1.925   1.868  1.00  0.00           H  
HETATM   34  H   UNL     1      -8.332   2.474   0.175  1.00  0.00           H  
HETATM   35  H   UNL     1      -9.130   0.951   0.633  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.735   2.700  -0.681  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.637   1.557  -1.139  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.149  -1.929  -1.265  1.00  0.00           H  
HETATM   39  H   UNL     1       1.176  -1.792  -1.506  1.00  0.00           H  
HETATM   40  H   UNL     1       3.397  -2.184  -0.331  1.00  0.00           H  
HETATM   41  H   UNL     1       4.969  -3.090   0.153  1.00  0.00           H  
HETATM   42  H   UNL     1       6.581  -3.124   0.625  1.00  0.00           H  
HETATM   43  H   UNL     1       7.876  -1.085   0.951  1.00  0.00           H  
HETATM   44  H   UNL     1       8.849   1.730   0.089  1.00  0.00           H  
HETATM   45  H   UNL     1       8.004   2.546   1.426  1.00  0.00           H  
HETATM   46  H   UNL     1       8.828   0.994   1.709  1.00  0.00           H  
HETATM   47  H   UNL     1       3.689   2.766  -0.377  1.00  0.00           H  
HETATM   48  H   UNL     1       1.611   1.648  -0.967  1.00  0.00           H  
CONECT    1    2   12   12   29                                       
CONECT    2    1    3    9    9                                       
CONECT    3    2    4    5    5                                       
CONECT    4    3   30   31                                            
CONECT    5    3    3    6   32                                       
CONECT    6    5    7    8    8                                       
CONECT    7    6   33   34   35                                       
CONECT    8    6    6    9                                            
CONECT    9    2    2    8   10                                       
CONECT   10    9   11   11   36                                       
CONECT   11   10   10   12   37                                       
CONECT   12    1    1   11   13                                       
CONECT   13   12   14   38                                            
CONECT   14   13   15   15   16                                       
CONECT   15   14   14                                                 
CONECT   16   14   17   39                                            
CONECT   17   16   18   28   28                                       
CONECT   18   17   19   19   40                                       
CONECT   19   18   18   20   26                                       
CONECT   20   19   21   22   22                                       
CONECT   21   20   41   42                                            
CONECT   22   20   20   23   43                                       
CONECT   23   22   24   25   25                                       
CONECT   24   23   44   45   46                                       
CONECT   25   23   23   26                                            
CONECT   26   19   25   27   27                                       
CONECT   27   26   26   28   47                                       
CONECT   28   17   17   27   48                                       
CONECT   29    1                                                      
CONECT   30    4                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    7                                                      
CONECT   34    7                                                      
CONECT   35    7                                                      
CONECT   36   10                                                      
CONECT   37   11                                                      
CONECT   38   13                                                      
CONECT   39   16                                                      
CONECT   40   18                                                      
CONECT   41   21                                                      
CONECT   42   21                                                      
CONECT   43   22                                                      
CONECT   44   24                                                      
CONECT   45   24                                                      
CONECT   46   24                                                      
CONECT   47   27                                                      
CONECT   48   28                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
