COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       2.404   1.045   0.027  1.00  0.00           N  
HETATM    2  C   UNL     1       1.206   1.748   0.043  1.00  0.00           C  
HETATM    3  C   UNL     1       0.871   3.057  -0.235  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.457   3.466  -0.123  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.459   2.544   0.273  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.114   1.227   0.551  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.171   0.240   0.972  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.753  -0.444  -0.267  1.00  0.00           C  
HETATM    9  N   UNL     1      -3.784  -1.407   0.144  1.00  0.00           N  
HETATM   10  C   UNL     1      -4.365  -2.085  -1.022  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.417  -3.062  -0.563  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.731  -2.653  -0.435  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.695  -3.549  -0.013  1.00  0.00           C  
HETATM   14  C   UNL     1      -7.345  -4.854   0.282  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.031  -5.262   0.153  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.068  -4.368  -0.275  1.00  0.00           C  
HETATM   17  C   UNL     1       0.216   0.824   0.438  1.00  0.00           C  
HETATM   18  N   UNL     1       0.841  -0.365   0.638  1.00  0.00           N  
HETATM   19  C   UNL     1       2.122  -0.239   0.393  1.00  0.00           C  
HETATM   20  N   UNL     1       3.049  -1.252   0.497  1.00  0.00           N  
HETATM   21  C   UNL     1       4.458  -0.989   0.194  1.00  0.00           C  
HETATM   22  N   UNL     1      -2.744   2.972   0.373  1.00  0.00           N  
HETATM   23  C   UNL     1      -3.074   4.210   0.112  1.00  0.00           C  
HETATM   24  N   UNL     1      -4.393   4.575   0.234  1.00  0.00           N  
HETATM   25  N   UNL     1      -2.171   5.159  -0.274  1.00  0.00           N  
HETATM   26  C   UNL     1      -0.861   4.848  -0.408  1.00  0.00           C  
HETATM   27  O   UNL     1      -0.047   5.685  -0.752  1.00  0.00           O  
HETATM   28  H   UNL     1       3.277   1.399  -0.204  1.00  0.00           H  
HETATM   29  H   UNL     1       1.633   3.761  -0.536  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.728  -0.510   1.627  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.966   0.764   1.504  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.196   0.306  -0.922  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.958  -0.968  -0.799  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.499  -0.957   0.695  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.820  -1.346  -1.683  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.582  -2.619  -1.560  1.00  0.00           H  
HETATM   37  H   UNL     1      -7.005  -1.634  -0.664  1.00  0.00           H  
HETATM   38  H   UNL     1      -8.722  -3.230   0.088  1.00  0.00           H  
HETATM   39  H   UNL     1      -8.098  -5.554   0.612  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.757  -6.281   0.384  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.041  -4.687  -0.375  1.00  0.00           H  
HETATM   42  H   UNL     1       2.769  -2.139   0.771  1.00  0.00           H  
HETATM   43  H   UNL     1       4.551  -0.652  -0.838  1.00  0.00           H  
HETATM   44  H   UNL     1       4.836  -0.217   0.864  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.054   3.919   0.507  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.663   5.487   0.047  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.471   6.063  -0.454  1.00  0.00           H  
HETATM   48  C   UNL     1       5.269  -2.273   0.387  1.00  0.00           C  
HETATM   49  C   UNL     1       6.718  -2.002   0.076  1.00  0.00           C  
HETATM   50  C   UNL     1       7.574  -1.586   1.078  1.00  0.00           C  
HETATM   51  C   UNL     1       8.904  -1.338   0.793  1.00  0.00           C  
HETATM   52  C   UNL     1       9.378  -1.507  -0.495  1.00  0.00           C  
HETATM   53  C   UNL     1       8.522  -1.925  -1.497  1.00  0.00           C  
HETATM   54  C   UNL     1       7.193  -2.177  -1.210  1.00  0.00           C  
HETATM   55  H   UNL     1       5.175  -2.610   1.420  1.00  0.00           H  
HETATM   56  H   UNL     1       4.891  -3.045  -0.283  1.00  0.00           H  
HETATM   57  H   UNL     1       7.204  -1.453   2.084  1.00  0.00           H  
HETATM   58  H   UNL     1       9.573  -1.012   1.576  1.00  0.00           H  
HETATM   59  H   UNL     1      10.417  -1.313  -0.718  1.00  0.00           H  
HETATM   60  H   UNL     1       8.892  -2.057  -2.503  1.00  0.00           H  
HETATM   61  H   UNL     1       6.525  -2.503  -1.993  1.00  0.00           H  
CONECT    1   19    2   28                                            
CONECT    2    1   17   17    3                                       
CONECT    3    2    4    4   29                                       
CONECT    4    3    3    5   26                                       
CONECT    5    6    6    4   22                                       
CONECT    6   17    7    5    5                                       
CONECT    7    8    6   30   31                                       
CONECT    8    9    7   32   33                                       
CONECT    9   10    8   34                                            
CONECT   10   11    9   35   36                                       
CONECT   11   16   16   12   10                                       
CONECT   12   13   13   11   37                                       
CONECT   13   14   12   12   38                                       
CONECT   14   15   15   13   39                                       
CONECT   15   14   14   16   40                                       
CONECT   16   15   11   11   41                                       
CONECT   17   18    2    2    6                                       
CONECT   18   19   19   17                                            
CONECT   19   20   18   18    1                                       
CONECT   20   21   19   42                                            
CONECT   21   20   43   44   48                                       
CONECT   22    5   23   23                                            
CONECT   23   22   22   25   24                                       
CONECT   24   23   45   46                                            
CONECT   25   26   23   47                                            
CONECT   26    4   27   27   25                                       
CONECT   27   26   26                                                 
CONECT   28    1                                                      
CONECT   29    3                                                      
CONECT   30    7                                                      
CONECT   31    7                                                      
CONECT   32    8                                                      
CONECT   33    8                                                      
CONECT   34    9                                                      
CONECT   35   10                                                      
CONECT   36   10                                                      
CONECT   37   12                                                      
CONECT   38   13                                                      
CONECT   39   14                                                      
CONECT   40   15                                                      
CONECT   41   16                                                      
CONECT   42   20                                                      
CONECT   43   21                                                      
CONECT   44   21                                                      
CONECT   45   24                                                      
CONECT   46   24                                                      
CONECT   47   25                                                      
CONECT   48   21   49   55   56                                       
CONECT   49   48   50   54   54                                       
CONECT   50   49   51   51   57                                       
CONECT   51   50   50   52   58                                       
CONECT   52   51   53   53   59                                       
CONECT   53   52   52   54   60                                       
CONECT   54   53   49   49   61                                       
CONECT   55   48                                                      
CONECT   56   48                                                      
CONECT   57   50                                                      
CONECT   58   51                                                      
CONECT   59   52                                                      
CONECT   60   53                                                      
CONECT   61   54                                                      
MASTER        0    0    0    0    0    0    0    0   61    0   61    0
END
