COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.605  -1.047   0.502  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.349   0.538   0.325  1.00  0.00           C  
HETATM    3  O   UNL     1      -0.615   1.500   0.436  1.00  0.00           O  
HETATM    4  C   UNL     1       1.515   0.014   0.519  1.00  0.00           C  
HETATM    5  C   UNL     1       2.460  -2.624   0.672  1.00  0.00           C  
HETATM    6  C   UNL     1       2.869  -0.255   0.611  1.00  0.00           C  
HETATM    7  C   UNL     1       3.330  -1.580   0.687  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.101  -3.127   0.473  1.00  0.00           C  
HETATM    9  C   UNL     1       3.842   0.864   0.629  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.371   2.001   0.019  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.833   1.710  -0.201  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.917   2.556  -0.364  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.182   2.033  -0.554  1.00  0.00           C  
HETATM   14  C   UNL     1      -7.365   0.664  -0.584  1.00  0.00           C  
HETATM   15  C   UNL     1       3.749   1.856   1.604  1.00  0.00           C  
HETATM   16  C   UNL     1       5.756   1.971  -0.306  1.00  0.00           C  
HETATM   17  C   UNL     1       4.106  -0.863  -3.528  1.00  0.00           C  
HETATM   18  N   UNL     1      -2.670   0.718   0.125  1.00  0.00           N  
HETATM   19  C   UNL     1      -0.792  -0.835   0.409  1.00  0.00           C  
HETATM   20  C   UNL     1       1.079  -2.384   0.574  1.00  0.00           C  
HETATM   21  N   UNL     1      -1.588  -1.893   0.398  1.00  0.00           N  
HETATM   22  N   UNL     1       0.191  -3.382   0.555  1.00  0.00           N  
HETATM   23  N   UNL     1      -1.986  -4.190   0.457  1.00  0.00           N  
HETATM   24  C   UNL     1      -3.681  -0.333  -0.028  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.017   0.342  -0.230  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.284  -0.181  -0.421  1.00  0.00           C  
HETATM   27  C   UNL     1       4.657   2.895   1.616  1.00  0.00           C  
HETATM   28  C   UNL     1       5.659   2.953   0.664  1.00  0.00           C  
HETATM   29  C   UNL     1       4.857   0.924  -0.324  1.00  0.00           C  
HETATM   30  C   UNL     1       4.965  -0.145  -1.381  1.00  0.00           C  
HETATM   31  N   UNL     1       3.953   0.089  -2.420  1.00  0.00           N  
HETATM   32  H   UNL     1       1.164   1.035   0.460  1.00  0.00           H  
HETATM   33  H   UNL     1       2.830  -3.637   0.727  1.00  0.00           H  
HETATM   34  H   UNL     1       4.390  -1.771   0.759  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.976   2.570  -0.823  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.242   2.570   0.941  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.774   3.626  -0.342  1.00  0.00           H  
HETATM   38  H   UNL     1      -8.026   2.695  -0.680  1.00  0.00           H  
HETATM   39  H   UNL     1      -8.354   0.254  -0.732  1.00  0.00           H  
HETATM   40  H   UNL     1       2.967   1.812   2.347  1.00  0.00           H  
HETATM   41  H   UNL     1       6.543   2.018  -1.044  1.00  0.00           H  
HETATM   42  H   UNL     1       3.991  -1.880  -3.151  1.00  0.00           H  
HETATM   43  H   UNL     1       3.344  -0.667  -4.283  1.00  0.00           H  
HETATM   44  H   UNL     1       5.095  -0.749  -3.971  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.940  -4.026   0.393  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.653  -5.100   0.510  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.444  -0.950  -0.895  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.711  -0.951   0.869  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.428  -1.251  -0.443  1.00  0.00           H  
HETATM   50  H   UNL     1       4.586   3.665   2.370  1.00  0.00           H  
HETATM   51  H   UNL     1       6.368   3.768   0.677  1.00  0.00           H  
HETATM   52  H   UNL     1       5.958  -0.116  -1.828  1.00  0.00           H  
HETATM   53  H   UNL     1       4.800  -1.122  -0.927  1.00  0.00           H  
HETATM   54  H   UNL     1       3.022   0.048  -2.033  1.00  0.00           H  
CONECT    1    4    4   20   19                                       
CONECT    2   19   18    3    3                                       
CONECT    3    2    2                                                 
CONECT    4    6    1    1   32                                       
CONECT    5    7   20   20   33                                       
CONECT    6    9    7    7    4                                       
CONECT    7    6    6    5   34                                       
CONECT    8   22   22   21   23                                       
CONECT    9   15   15   29    6                                       
CONECT   10   11   18   35   36                                       
CONECT   11   25   25   12   10                                       
CONECT   12   13   13   11   37                                       
CONECT   13   14   12   12   38                                       
CONECT   14   26   26   13   39                                       
CONECT   15   27    9    9   40                                       
CONECT   16   28   29   29   41                                       
CONECT   17   31   42   43   44                                       
CONECT   18   24    2   10                                            
CONECT   19    1   21   21    2                                       
CONECT   20    5    5    1   22                                       
CONECT   21   19   19    8                                            
CONECT   22   20    8    8                                            
CONECT   23    8   45   46                                            
CONECT   24   25   18   47   48                                       
CONECT   25   26   24   11   11                                       
CONECT   26   14   14   25   49                                       
CONECT   27   28   28   15   50                                       
CONECT   28   27   27   16   51                                       
CONECT   29   16   16    9   30                                       
CONECT   30   29   31   52   53                                       
CONECT   31   30   17   54                                            
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    7                                                      
CONECT   35   10                                                      
CONECT   36   10                                                      
CONECT   37   12                                                      
CONECT   38   13                                                      
CONECT   39   14                                                      
CONECT   40   15                                                      
CONECT   41   16                                                      
CONECT   42   17                                                      
CONECT   43   17                                                      
CONECT   44   17                                                      
CONECT   45   23                                                      
CONECT   46   23                                                      
CONECT   47   24                                                      
CONECT   48   24                                                      
CONECT   49   26                                                      
CONECT   50   27                                                      
CONECT   51   28                                                      
CONECT   52   30                                                      
CONECT   53   30                                                      
CONECT   54   31                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
