COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.924   2.441  -0.179  1.00  0.00           C  
HETATM    2  C   UNL     1       3.797   0.547   0.864  1.00  0.00           C  
HETATM    3  C   UNL     1       4.386   1.757   0.095  1.00  0.00           C  
HETATM    4  C   UNL     1       3.339   2.862   0.376  1.00  0.00           C  
HETATM    5  C   UNL     1       2.068   2.085   0.772  1.00  0.00           C  
HETATM    6  C   UNL     1       6.324  -3.658   1.347  1.00  0.00           C  
HETATM    7  C   UNL     1       5.484  -2.717   0.524  1.00  0.00           C  
HETATM    8  C   UNL     1       5.040  -1.556   1.052  1.00  0.00           C  
HETATM    9  N   UNL     1       4.278  -0.712   0.291  1.00  0.00           N  
HETATM   10  C   UNL     1       3.966  -1.028  -0.979  1.00  0.00           C  
HETATM   11  O   UNL     1       3.288  -0.264  -1.638  1.00  0.00           O  
HETATM   12  N   UNL     1       4.395  -2.179  -1.531  1.00  0.00           N  
HETATM   13  C   UNL     1       5.153  -3.034  -0.816  1.00  0.00           C  
HETATM   14  O   UNL     1       5.547  -4.073  -1.316  1.00  0.00           O  
HETATM   15  O   UNL     1       2.373   0.683   0.671  1.00  0.00           O  
HETATM   16  O   UNL     1      -0.278   1.808   0.264  1.00  0.00           O  
HETATM   17  P   UNL     1      -1.686   1.964  -0.502  1.00  0.00           P  
HETATM   18  O   UNL     1      -1.522   1.570  -1.919  1.00  0.00           O  
HETATM   19  O   UNL     1      -2.172   3.496  -0.424  1.00  0.00           O  
HETATM   20  O   UNL     1      -2.784   1.015   0.195  1.00  0.00           O  
HETATM   21  P   UNL     1      -4.194   0.400  -0.281  1.00  0.00           P  
HETATM   22  O   UNL     1      -5.315   1.555  -0.269  1.00  0.00           O  
HETATM   23  O   UNL     1      -4.058  -0.142  -1.651  1.00  0.00           O  
HETATM   24  O   UNL     1      -4.629  -0.781   0.723  1.00  0.00           O  
HETATM   25  P   UNL     1      -5.647  -2.024   0.612  1.00  0.00           P  
HETATM   26  O   UNL     1      -6.036  -2.532   2.090  1.00  0.00           O  
HETATM   27  O   UNL     1      -6.872  -1.597  -0.100  1.00  0.00           O  
HETATM   28  O   UNL     1      -4.944  -3.223  -0.200  1.00  0.00           O  
HETATM   29  O   UNL     1       3.768   3.700   1.451  1.00  0.00           O  
HETATM   30  O   UNL     1       5.665   2.121   0.620  1.00  0.00           O  
HETATM   31  H   UNL     1       0.782   3.522  -0.189  1.00  0.00           H  
HETATM   32  H   UNL     1       1.166   2.097  -1.184  1.00  0.00           H  
HETATM   33  H   UNL     1       4.048   0.606   1.923  1.00  0.00           H  
HETATM   34  H   UNL     1       4.452   1.545  -0.972  1.00  0.00           H  
HETATM   35  H   UNL     1       3.161   3.453  -0.522  1.00  0.00           H  
HETATM   36  H   UNL     1       1.788   2.330   1.797  1.00  0.00           H  
HETATM   37  H   UNL     1       6.585  -4.530   0.747  1.00  0.00           H  
HETATM   38  H   UNL     1       7.234  -3.150   1.665  1.00  0.00           H  
HETATM   39  H   UNL     1       5.760  -3.977   2.224  1.00  0.00           H  
HETATM   40  H   UNL     1       5.285  -1.295   2.071  1.00  0.00           H  
HETATM   41  H   UNL     1       4.161  -2.391  -2.448  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.300   3.823   0.477  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.458   1.956   0.599  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.648  -3.281   2.100  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.134  -3.554   0.210  1.00  0.00           H  
HETATM   46  H   UNL     1       4.565   4.212   1.257  1.00  0.00           H  
HETATM   47  H   UNL     1       6.074   2.874   0.171  1.00  0.00           H  
CONECT    1    5   16   31   32                                       
CONECT    2    3   15    9   33                                       
CONECT    3    4   30    2   34                                       
CONECT    4   29    5    3   35                                       
CONECT    5    4    1   15   36                                       
CONECT    6    7   37   38   39                                       
CONECT    7    8    8    6   13                                       
CONECT    8    9    7    7   40                                       
CONECT    9    2    8   10                                            
CONECT   10    9   11   11   12                                       
CONECT   11   10   10                                                 
CONECT   12   10   13   41                                            
CONECT   13    7   12   14   14                                       
CONECT   14   13   13                                                 
CONECT   15    5    2                                                 
CONECT   16    1   17                                                 
CONECT   17   20   16   18   18                                       
CONECT   17   19                                                      
CONECT   18   17   17                                                 
CONECT   19   17   42                                                 
CONECT   20   21   17                                                 
CONECT   21   23   23   24   20                                       
CONECT   21   22                                                      
CONECT   22   21   43                                                 
CONECT   23   21   21                                                 
CONECT   24   21   25                                                 
CONECT   25   27   27   24   26                                       
CONECT   25   28                                                      
CONECT   26   25   44                                                 
CONECT   27   25   25                                                 
CONECT   28   25   45                                                 
CONECT   29    4   46                                                 
CONECT   30    3   47                                                 
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    2                                                      
CONECT   34    3                                                      
CONECT   35    4                                                      
CONECT   36    5                                                      
CONECT   37    6                                                      
CONECT   38    6                                                      
CONECT   39    6                                                      
CONECT   40    8                                                      
CONECT   41   12                                                      
CONECT   42   19                                                      
CONECT   43   22                                                      
CONECT   44   26                                                      
CONECT   45   28                                                      
CONECT   46   29                                                      
CONECT   47   30                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
