COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -6.801  -0.955  -0.038  1.00  0.00           N  
HETATM    2  C   UNL     1      -7.006  -1.986   0.839  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.886  -1.546   1.759  1.00  0.00           C  
HETATM    4  N   UNL     1      -8.210  -0.282   1.451  1.00  0.00           N  
HETATM    5  C   UNL     1      -7.560   0.081   0.380  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.919  -0.971  -1.208  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.579  -0.391  -0.834  1.00  0.00           C  
HETATM    8  N   UNL     1      -4.359   0.777  -0.299  1.00  0.00           N  
HETATM    9  O   UNL     1      -3.183   0.978  -0.107  1.00  0.00           O  
HETATM   10  C   UNL     1      -2.433  -0.068  -0.503  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.324  -1.009  -0.990  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.007  -0.186  -0.430  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.649   1.430  -0.287  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.875   2.459   0.539  1.00  0.00           C  
HETATM   15  O   UNL     1      -9.019   1.826  -0.380  1.00  0.00           O  
HETATM   16  C   UNL     1       0.161  -0.282  -0.370  1.00  0.00           C  
HETATM   17  C   UNL     1       1.586  -0.400  -0.296  1.00  0.00           C  
HETATM   18  C   UNL     1       2.219  -1.561  -0.753  1.00  0.00           C  
HETATM   19  C   UNL     1       3.590  -1.669  -0.681  1.00  0.00           C  
HETATM   20  C   UNL     1       4.345  -0.627  -0.155  1.00  0.00           C  
HETATM   21  C   UNL     1       3.721   0.528   0.299  1.00  0.00           C  
HETATM   22  C   UNL     1       2.351   0.648   0.227  1.00  0.00           C  
HETATM   23  O   UNL     1       5.697  -0.739  -0.086  1.00  0.00           O  
HETATM   24  C   UNL     1       6.412   0.369   0.465  1.00  0.00           C  
HETATM   25  C   UNL     1       7.911   0.062   0.461  1.00  0.00           C  
HETATM   26  C   UNL     1       8.403  -0.060  -0.982  1.00  0.00           C  
HETATM   27  C   UNL     1       8.665   1.192   1.164  1.00  0.00           C  
HETATM   28  N   UNL     1       8.153  -1.202   1.169  1.00  0.00           N  
HETATM   29  O   UNL     1       8.167   1.170  -1.671  1.00  0.00           O  
HETATM   30  O   UNL     1      10.065   0.905   1.160  1.00  0.00           O  
HETATM   31  H   UNL     1      -6.549  -2.964   0.801  1.00  0.00           H  
HETATM   32  H   UNL     1      -8.265  -2.113   2.596  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.789  -1.997  -1.550  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.363  -0.375  -2.005  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.107  -1.987  -1.395  1.00  0.00           H  
HETATM   36  H   UNL     1      -7.219   1.370  -1.287  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.830   2.157   0.610  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.939   3.434   0.057  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.305   2.519   1.539  1.00  0.00           H  
HETATM   40  H   UNL     1      -9.151   2.687  -0.800  1.00  0.00           H  
HETATM   41  H   UNL     1       1.633  -2.371  -1.161  1.00  0.00           H  
HETATM   42  H   UNL     1       4.080  -2.565  -1.033  1.00  0.00           H  
HETATM   43  H   UNL     1       4.312   1.335   0.707  1.00  0.00           H  
HETATM   44  H   UNL     1       1.867   1.548   0.576  1.00  0.00           H  
HETATM   45  H   UNL     1       6.222   1.259  -0.135  1.00  0.00           H  
HETATM   46  H   UNL     1       6.079   0.543   1.488  1.00  0.00           H  
HETATM   47  H   UNL     1       9.470  -0.279  -0.985  1.00  0.00           H  
HETATM   48  H   UNL     1       7.865  -0.865  -1.483  1.00  0.00           H  
HETATM   49  H   UNL     1       8.485   2.130   0.638  1.00  0.00           H  
HETATM   50  H   UNL     1       8.314   1.279   2.192  1.00  0.00           H  
HETATM   51  H   UNL     1       9.127  -1.460   1.125  1.00  0.00           H  
HETATM   52  H   UNL     1       7.837  -1.148   2.126  1.00  0.00           H  
HETATM   53  H   UNL     1       8.455   1.165  -2.594  1.00  0.00           H  
HETATM   54  H   UNL     1      10.606   1.582   1.590  1.00  0.00           H  
CONECT    1    5    2    6                                            
CONECT    2    3    3    1   31                                       
CONECT    3    4    2    2   32                                       
CONECT    4    5    5    3                                            
CONECT    5   13    4    4    1                                       
CONECT    6    1    7   33   34                                       
CONECT    7    6    8    8   11                                       
CONECT    8    7    7    9                                            
CONECT    9    8   10                                                 
CONECT   10   11   11    9   12                                       
CONECT   11    7   10   10   35                                       
CONECT   12   10   16   16   16                                       
CONECT   13   15   14    5   36                                       
CONECT   14   13   37   38   39                                       
CONECT   15   13   40                                                 
CONECT   16   12   12   12   17                                       
CONECT   17   16   22   22   18                                       
CONECT   18   17   19   19   41                                       
CONECT   19   18   18   20   42                                       
CONECT   20   21   21   19   23                                       
CONECT   21   22   20   20   43                                       
CONECT   22   17   17   21   44                                       
CONECT   23   20   24                                                 
CONECT   24   23   25   45   46                                       
CONECT   25   24   26   28   27                                       
CONECT   26   29   25   47   48                                       
CONECT   27   25   30   49   50                                       
CONECT   28   25   51   52                                            
CONECT   29   26   53                                                 
CONECT   30   27   54                                                 
CONECT   31    2                                                      
CONECT   32    3                                                      
CONECT   33    6                                                      
CONECT   34    6                                                      
CONECT   35   11                                                      
CONECT   36   13                                                      
CONECT   37   14                                                      
CONECT   38   14                                                      
CONECT   39   14                                                      
CONECT   40   15                                                      
CONECT   41   18                                                      
CONECT   42   19                                                      
CONECT   43   21                                                      
CONECT   44   22                                                      
CONECT   45   24                                                      
CONECT   46   24                                                      
CONECT   47   26                                                      
CONECT   48   26                                                      
CONECT   49   27                                                      
CONECT   50   27                                                      
CONECT   51   28                                                      
CONECT   52   28                                                      
CONECT   53   29                                                      
CONECT   54   30                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
