COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -8.812   2.902   0.495  1.00  0.00           O  
HETATM    2  C   UNL     1      -4.755   0.047   0.025  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.744  -0.456  -0.817  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.965   0.147  -0.879  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.908   0.508   1.217  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.795   1.450   1.570  1.00  0.00           C  
HETATM    7  C   UNL     1     -10.795   2.099  -1.027  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.128  -2.771   0.483  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.770  -3.526   0.487  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.775  -2.341   0.559  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.786  -1.489  -0.306  1.00  0.00           C  
HETATM   12  C   UNL     1       0.580  -2.750  -0.022  1.00  0.00           C  
HETATM   13  C   UNL     1      -8.570   1.920  -0.180  1.00  0.00           C  
HETATM   14  C   UNL     1      -7.244   1.280  -0.101  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.270   1.799   0.748  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.022   1.185   0.812  1.00  0.00           C  
HETATM   17  N   UNL     1      -3.465  -0.339   0.298  1.00  0.00           N  
HETATM   18  O   UNL     1       3.082  -2.098  -1.778  1.00  0.00           O  
HETATM   19  O   UNL     1       4.745   0.983  -2.131  1.00  0.00           O  
HETATM   20  O   UNL     1       8.073   1.436   1.126  1.00  0.00           O  
HETATM   21  O   UNL     1       3.815  -2.918   0.494  1.00  0.00           O  
HETATM   22  O   UNL     1       6.161  -0.658  -0.837  1.00  0.00           O  
HETATM   23  O   UNL     1       7.391   2.806  -0.882  1.00  0.00           O  
HETATM   24  O   UNL     1      -1.653  -4.368   1.636  1.00  0.00           O  
HETATM   25  O   UNL     1       3.770  -0.354  -0.089  1.00  0.00           O  
HETATM   26  O   UNL     1       5.576   1.515   0.306  1.00  0.00           O  
HETATM   27  O   UNL     1       6.673   3.646   1.388  1.00  0.00           O  
HETATM   28  O   UNL     1      -1.367  -1.305  -0.240  1.00  0.00           O  
HETATM   29  O   UNL     1       1.516  -1.686   0.158  1.00  0.00           O  
HETATM   30  O   UNL     1      -9.514   1.418  -1.000  1.00  0.00           O  
HETATM   31  P   UNL     1       3.047  -1.771  -0.335  1.00  0.00           P  
HETATM   32  P   UNL     1       5.087   0.350  -0.691  1.00  0.00           P  
HETATM   33  P   UNL     1       6.938   2.361   0.455  1.00  0.00           P  
HETATM   34  H   UNL     1      -5.543  -1.328  -1.422  1.00  0.00           H  
HETATM   35  H   UNL     1      -7.726  -0.251  -1.535  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.901   0.429   1.602  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.636   2.251   2.276  1.00  0.00           H  
HETATM   38  H   UNL     1     -10.651   3.132  -1.345  1.00  0.00           H  
HETATM   39  H   UNL     1     -11.461   1.594  -1.726  1.00  0.00           H  
HETATM   40  H   UNL     1     -11.236   2.084  -0.030  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.893  -3.352  -0.033  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.444  -2.530   1.497  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.636  -4.098  -0.432  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.660  -2.006   1.589  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.099  -1.599  -1.344  1.00  0.00           H  
HETATM   46  H   UNL     1       0.941  -3.642   0.490  1.00  0.00           H  
HETATM   47  H   UNL     1       0.471  -2.961  -1.086  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.480   2.671   1.349  1.00  0.00           H  
HETATM   49  H   UNL     1       4.048   1.653  -2.111  1.00  0.00           H  
HETATM   50  H   UNL     1       7.843   1.107   2.006  1.00  0.00           H  
HETATM   51  H   UNL     1       3.831  -2.768   1.449  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.257  -5.123   1.634  1.00  0.00           H  
HETATM   53  H   UNL     1       7.452   4.202   1.521  1.00  0.00           H  
CONECT    1   13   13                                                 
CONECT    2   17    3    3   16                                       
CONECT    3    2    2    4   34                                       
CONECT    4    3   14   14   35                                       
CONECT    5   17    6    6   36                                       
CONECT    6    5    5   16   37                                       
CONECT    7   30   38   39   40                                       
CONECT    8    9   11   41   42                                       
CONECT    9   24   10    8   43                                       
CONECT   10    9   12   28   44                                       
CONECT   11    8   28   17   45                                       
CONECT   12   29   10   46   47                                       
CONECT   13   14   30    1    1                                       
CONECT   14    4    4   15   13                                       
CONECT   15   16   16   14   48                                       
CONECT   16    2    6   15   15                                       
CONECT   17   11    5    2                                            
CONECT   18   31   31                                                 
CONECT   19   32   49                                                 
CONECT   20   33   50                                                 
CONECT   21   31   51                                                 
CONECT   22   32   32                                                 
CONECT   23   33   33                                                 
CONECT   24    9   52                                                 
CONECT   25   32   31                                                 
CONECT   26   33   32                                                 
CONECT   27   33   53                                                 
CONECT   28   10   11                                                 
CONECT   29   31   12                                                 
CONECT   30    7   13                                                 
CONECT   31   25   18   18   21                                       
CONECT   31   29                                                      
CONECT   32   26   22   22   19                                       
CONECT   32   25                                                      
CONECT   33   23   23   26   20                                       
CONECT   33   27                                                      
CONECT   34    3                                                      
CONECT   35    4                                                      
CONECT   36    5                                                      
CONECT   37    6                                                      
CONECT   38    7                                                      
CONECT   39    7                                                      
CONECT   40    7                                                      
CONECT   41    8                                                      
CONECT   42    8                                                      
CONECT   43    9                                                      
CONECT   44   10                                                      
CONECT   45   11                                                      
CONECT   46   12                                                      
CONECT   47   12                                                      
CONECT   48   15                                                      
CONECT   49   19                                                      
CONECT   50   20                                                      
CONECT   51   21                                                      
CONECT   52   24                                                      
CONECT   53   27                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
