COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       4.935   0.861   2.216  1.00  0.00           O  
HETATM    2  C   UNL     1       3.940   0.491   1.622  1.00  0.00           C  
HETATM    3  N   UNL     1       4.075  -0.179   0.464  1.00  0.00           N  
HETATM    4  N   UNL     1       2.725   0.761   2.135  1.00  0.00           N  
HETATM    5  C   UNL     1       1.588   0.351   1.479  1.00  0.00           C  
HETATM    6  C   UNL     1       1.705  -0.332   0.300  1.00  0.00           C  
HETATM    7  C   UNL     1       2.989  -0.598  -0.217  1.00  0.00           C  
HETATM    8  O   UNL     1       3.116  -1.206  -1.265  1.00  0.00           O  
HETATM    9  N   UNL     1       0.250   0.470   1.755  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.322   1.133   2.929  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.489   0.115   4.059  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.087   0.808   5.286  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.254  -0.209   6.415  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.852   0.483   7.642  1.00  0.00           C  
HETATM   15  O   UNL     1      -2.008  -0.467   8.697  1.00  0.00           O  
HETATM   16  O   UNL     1      -2.126  -1.257   5.988  1.00  0.00           O  
HETATM   17  O   UNL     1      -2.362   1.358   4.948  1.00  0.00           O  
HETATM   18  O   UNL     1      -1.361  -0.931   3.631  1.00  0.00           O  
HETATM   19  C   UNL     1      -0.451  -0.117   0.767  1.00  0.00           C  
HETATM   20  O   UNL     1      -1.664  -0.184   0.704  1.00  0.00           O  
HETATM   21  N   UNL     1       0.409  -0.619  -0.140  1.00  0.00           N  
HETATM   22  C   UNL     1       0.052  -1.336  -1.367  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.104  -0.336  -2.514  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.477  -1.084  -3.796  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.633  -0.084  -4.943  1.00  0.00           C  
HETATM   26  O   UNL     1      -0.982  -0.783  -6.140  1.00  0.00           O  
HETATM   27  P   UNL     1      -1.129   0.323  -7.299  1.00  0.00           P  
HETATM   28  O   UNL     1      -1.523  -0.397  -8.683  1.00  0.00           O  
HETATM   29  O   UNL     1      -2.280   1.374  -6.895  1.00  0.00           O  
HETATM   30  O   UNL     1       0.155   1.039  -7.464  1.00  0.00           O  
HETATM   31  H   UNL     1       4.961  -0.361   0.115  1.00  0.00           H  
HETATM   32  H   UNL     1       2.652   1.247   2.972  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.294   1.553   2.672  1.00  0.00           H  
HETATM   34  H   UNL     1       0.343   1.933   3.256  1.00  0.00           H  
HETATM   35  H   UNL     1       0.483  -0.303   4.317  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.421   1.607   5.612  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.281  -0.628   6.673  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.824   0.902   7.384  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.186   1.282   7.968  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.386   0.008   9.449  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.973  -0.844   5.770  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.918   0.620   4.665  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.208  -0.518   3.414  1.00  0.00           H  
HETATM   44  H   UNL     1       0.837  -2.051  -1.612  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.888  -1.866  -1.217  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.889   0.378  -2.269  1.00  0.00           H  
HETATM   47  H   UNL     1       0.836   0.194  -2.664  1.00  0.00           H  
HETATM   48  H   UNL     1       0.308  -1.799  -4.041  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.417  -1.615  -3.646  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.418   0.630  -4.698  1.00  0.00           H  
HETATM   51  H   UNL     1       0.306   0.445  -5.093  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.601   0.298  -9.349  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.098   0.868  -6.797  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    4                                       
CONECT    3    2    7   31                                            
CONECT    4    2    5   32                                            
CONECT    5    4    6    6    9                                       
CONECT    6    5    5    7   21                                       
CONECT    7    3    6    8    8                                       
CONECT    8    7    7                                                 
CONECT    9    5   10   19                                            
CONECT   10    9   11   33   34                                       
CONECT   11   10   12   18   35                                       
CONECT   12   11   13   17   36                                       
CONECT   13   12   14   16   37                                       
CONECT   14   13   15   38   39                                       
CONECT   15   14   40                                                 
CONECT   16   13   41                                                 
CONECT   17   12   42                                                 
CONECT   18   11   43                                                 
CONECT   19    9   20   20   21                                       
CONECT   20   19   19                                                 
CONECT   21    6   19   22                                            
CONECT   22   21   23   44   45                                       
CONECT   23   22   24   46   47                                       
CONECT   24   23   25   48   49                                       
CONECT   25   24   26   50   51                                       
CONECT   26   25   27                                                 
CONECT   27   26   28   29   30                                       
CONECT   27   30                                                      
CONECT   28   27   52                                                 
CONECT   29   27   53                                                 
CONECT   30   27   27                                                 
CONECT   31    3                                                      
CONECT   32    4                                                      
CONECT   33   10                                                      
CONECT   34   10                                                      
CONECT   35   11                                                      
CONECT   36   12                                                      
CONECT   37   13                                                      
CONECT   38   14                                                      
CONECT   39   14                                                      
CONECT   40   15                                                      
CONECT   41   16                                                      
CONECT   42   17                                                      
CONECT   43   18                                                      
CONECT   44   22                                                      
CONECT   45   22                                                      
CONECT   46   23                                                      
CONECT   47   23                                                      
CONECT   48   24                                                      
CONECT   49   24                                                      
CONECT   50   25                                                      
CONECT   51   25                                                      
CONECT   52   28                                                      
CONECT   53   29                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
