COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.285   1.504   0.298  1.00  0.00           C  
HETATM    2  C   UNL     1       1.612   0.482  -0.584  1.00  0.00           C  
HETATM    3  C   UNL     1       2.636   0.694  -1.533  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.004  -0.175   0.743  1.00  0.00           C  
HETATM    5  N   UNL     1       3.273   1.884  -1.560  1.00  0.00           N  
HETATM    6  N   UNL     1       1.972   2.704   0.216  1.00  0.00           N  
HETATM    7  C   UNL     1       3.023  -2.865  -0.602  1.00  0.00           C  
HETATM    8  C   UNL     1       3.888  -3.729   0.042  1.00  0.00           C  
HETATM    9  C   UNL     1       3.418  -4.556   1.046  1.00  0.00           C  
HETATM   10  C   UNL     1       2.084  -4.518   1.405  1.00  0.00           C  
HETATM   11  C   UNL     1       1.219  -3.652   0.761  1.00  0.00           C  
HETATM   12  C   UNL     1       1.689  -2.822  -0.239  1.00  0.00           C  
HETATM   13  C   UNL     1       0.747  -1.880  -0.942  1.00  0.00           C  
HETATM   14  N   UNL     1       0.777  -0.574  -0.280  1.00  0.00           N  
HETATM   15  O   UNL     1       2.942  -0.186  -2.317  1.00  0.00           O  
HETATM   16  C   UNL     1       2.945   2.864  -0.700  1.00  0.00           C  
HETATM   17  O   UNL     1       3.538   3.924  -0.757  1.00  0.00           O  
HETATM   18  C   UNL     1       1.641   3.800   1.130  1.00  0.00           C  
HETATM   19  C   UNL     1       0.792   3.464   2.357  1.00  0.00           C  
HETATM   20  C   UNL     1       0.181   4.250   1.195  1.00  0.00           C  
HETATM   21  N   UNL     1       0.300   1.052   1.079  1.00  0.00           N  
HETATM   22  C   UNL     1      -1.068  -1.016   1.400  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.406  -0.714   0.775  1.00  0.00           C  
HETATM   24  N   UNL     1      -3.223  -1.636   0.198  1.00  0.00           N  
HETATM   25  C   UNL     1      -4.343  -0.967  -0.253  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.503  -1.356  -0.909  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.457  -0.414  -1.227  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.266   0.920  -0.895  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.131   1.322  -0.249  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.150   0.384   0.083  1.00  0.00           C  
HETATM   31  N   UNL     1      -2.949   0.467   0.712  1.00  0.00           N  
HETATM   32  H   UNL     1       3.977   2.034  -2.210  1.00  0.00           H  
HETATM   33  H   UNL     1       3.389  -2.219  -1.387  1.00  0.00           H  
HETATM   34  H   UNL     1       4.930  -3.759  -0.238  1.00  0.00           H  
HETATM   35  H   UNL     1       4.094  -5.231   1.549  1.00  0.00           H  
HETATM   36  H   UNL     1       1.717  -5.164   2.189  1.00  0.00           H  
HETATM   37  H   UNL     1       0.176  -3.623   1.041  1.00  0.00           H  
HETATM   38  H   UNL     1       1.054  -1.767  -1.982  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.265  -2.283  -0.904  1.00  0.00           H  
HETATM   40  H   UNL     1       2.409   4.566   1.243  1.00  0.00           H  
HETATM   41  H   UNL     1       0.478   2.428   2.484  1.00  0.00           H  
HETATM   42  H   UNL     1       1.000   4.009   3.278  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.013   5.311   1.352  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.535   3.731   0.558  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.834  -2.072   1.263  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.106  -0.788   2.465  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.050  -2.587   0.118  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.656  -2.393  -1.170  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.359  -0.715  -1.738  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.021   1.648  -1.150  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.992   2.362   0.004  1.00  0.00           H  
CONECT    1    6   21    2    2                                       
CONECT    2    1    1    3   14                                       
CONECT    3    5    2   15   15                                       
CONECT    4   21   21   14   22                                       
CONECT    5   16    3   32                                            
CONECT    6   18   16    1                                            
CONECT    7    8    8   12   33                                       
CONECT    8    9    7    7   34                                       
CONECT    9   10   10    8   35                                       
CONECT   10    9    9   11   36                                       
CONECT   11   10   12   12   37                                       
CONECT   12   11   11    7   13                                       
CONECT   13   12   14   38   39                                       
CONECT   14    2    4   13                                            
CONECT   15    3    3                                                 
CONECT   16   17   17    6    5                                       
CONECT   17   16   16                                                 
CONECT   18    6   20   19   40                                       
CONECT   19   18   20   41   42                                       
CONECT   20   18   19   43   44                                       
CONECT   21    1    4    4                                            
CONECT   22   23    4   45   46                                       
CONECT   23   31   31   24   22                                       
CONECT   24   25   23   47                                            
CONECT   25   30   30   26   24                                       
CONECT   26   27   27   25   48                                       
CONECT   27   28   26   26   49                                       
CONECT   28   29   29   27   50                                       
CONECT   29   28   28   30   51                                       
CONECT   30   29   31   25   25                                       
CONECT   31   30   23   23                                            
CONECT   32    5                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36   10                                                      
CONECT   37   11                                                      
CONECT   38   13                                                      
CONECT   39   13                                                      
CONECT   40   18                                                      
CONECT   41   19                                                      
CONECT   42   19                                                      
CONECT   43   20                                                      
CONECT   44   20                                                      
CONECT   45   22                                                      
CONECT   46   22                                                      
CONECT   47   24                                                      
CONECT   48   26                                                      
CONECT   49   27                                                      
CONECT   50   28                                                      
CONECT   51   29                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
