COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.544   0.472   5.031  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.275  -0.633   4.800  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.424  -0.854   5.465  1.00  0.00           N  
HETATM    4  C   UNL     1      -2.868   0.040   6.371  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.111   1.210   6.620  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.959   1.404   5.942  1.00  0.00           C  
HETATM    7  O   UNL     1      -0.887  -1.448   3.985  1.00  0.00           O  
HETATM    8  O   UNL     1      -3.910  -0.156   6.969  1.00  0.00           O  
HETATM    9  C   UNL     1       0.705   0.682   4.295  1.00  0.00           C  
HETATM   10  C   UNL     1       1.696  -0.467   4.579  1.00  0.00           C  
HETATM   11  O   UNL     1       2.640  -0.082   5.580  1.00  0.00           O  
HETATM   12  C   UNL     1       2.405  -0.694   3.225  1.00  0.00           C  
HETATM   13  C   UNL     1       1.758   0.343   2.280  1.00  0.00           C  
HETATM   14  O   UNL     1       0.468   0.623   2.871  1.00  0.00           O  
HETATM   15  O   UNL     1       3.808  -0.453   3.347  1.00  0.00           O  
HETATM   16  C   UNL     1       1.585  -0.239   0.876  1.00  0.00           C  
HETATM   17  O   UNL     1       0.920   0.713   0.044  1.00  0.00           O  
HETATM   18  P   UNL     1       0.772   0.038  -1.409  1.00  0.00           P  
HETATM   19  O   UNL     1       2.115  -0.280  -1.944  1.00  0.00           O  
HETATM   20  O   UNL     1      -0.090  -1.315  -1.287  1.00  0.00           O  
HETATM   21  O   UNL     1       0.027   1.062  -2.403  1.00  0.00           O  
HETATM   22  P   UNL     1      -0.085   0.325  -3.831  1.00  0.00           P  
HETATM   23  O   UNL     1       1.270   0.003  -4.328  1.00  0.00           O  
HETATM   24  O   UNL     1      -0.934  -1.032  -3.668  1.00  0.00           O  
HETATM   25  O   UNL     1      -0.824   1.298  -4.879  1.00  0.00           O  
HETATM   26  C   UNL     1      -0.891   0.627  -6.059  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.986  -0.176  -6.340  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.051  -0.858  -7.540  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.026  -0.740  -8.460  1.00  0.00           C  
HETATM   30  C   UNL     1       0.067   0.059  -8.181  1.00  0.00           C  
HETATM   31  C   UNL     1       0.133   0.748  -6.986  1.00  0.00           C  
HETATM   32  H   UNL     1      -2.937  -1.658   5.288  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.450   1.938   7.342  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.368   2.291   6.119  1.00  0.00           H  
HETATM   35  H   UNL     1       1.147   1.641   4.567  1.00  0.00           H  
HETATM   36  H   UNL     1       1.161  -1.366   4.885  1.00  0.00           H  
HETATM   37  H   UNL     1       3.267  -0.813   5.669  1.00  0.00           H  
HETATM   38  H   UNL     1       2.222  -1.706   2.863  1.00  0.00           H  
HETATM   39  H   UNL     1       2.364   1.248   2.243  1.00  0.00           H  
HETATM   40  H   UNL     1       4.151  -1.109   3.970  1.00  0.00           H  
HETATM   41  H   UNL     1       2.564  -0.469   0.455  1.00  0.00           H  
HETATM   42  H   UNL     1       0.990  -1.150   0.932  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.955  -1.063  -0.936  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.809  -0.777  -3.342  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.787  -0.269  -5.622  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.903  -1.484  -7.759  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.078  -1.274  -9.397  1.00  0.00           H  
HETATM   48  H   UNL     1       0.867   0.149  -8.901  1.00  0.00           H  
HETATM   49  H   UNL     1       0.987   1.372  -6.769  1.00  0.00           H  
CONECT    1    2    6    9                                            
CONECT    2    1    3    7    7                                       
CONECT    3    2    4   32                                            
CONECT    4    3    5    8    8                                       
CONECT    5    4    6    6   33                                       
CONECT    6    1    5    5   34                                       
CONECT    7    2    2                                                 
CONECT    8    4    4                                                 
CONECT    9    1   10   14   35                                       
CONECT   10    9   11   12   36                                       
CONECT   11   10   37                                                 
CONECT   12   10   13   15   38                                       
CONECT   13   12   14   16   39                                       
CONECT   14    9   13                                                 
CONECT   15   12   40                                                 
CONECT   16   13   17   41   42                                       
CONECT   17   16   18                                                 
CONECT   18   17   19   19   20                                       
CONECT   18   21                                                      
CONECT   19   18   18                                                 
CONECT   20   18   43                                                 
CONECT   21   18   22                                                 
CONECT   22   21   23   23   24                                       
CONECT   22   25                                                      
CONECT   23   22   22                                                 
CONECT   24   22   44                                                 
CONECT   25   22   26                                                 
CONECT   26   25   27   27   31                                       
CONECT   27   26   26   28   45                                       
CONECT   28   27   29   29   46                                       
CONECT   29   28   28   30   47                                       
CONECT   30   29   31   31   48                                       
CONECT   31   26   30   30   49                                       
CONECT   32    3                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    9                                                      
CONECT   36   10                                                      
CONECT   37   11                                                      
CONECT   38   12                                                      
CONECT   39   13                                                      
CONECT   40   15                                                      
CONECT   41   16                                                      
CONECT   42   16                                                      
CONECT   43   20                                                      
CONECT   44   24                                                      
CONECT   45   27                                                      
CONECT   46   28                                                      
CONECT   47   29                                                      
CONECT   48   30                                                      
CONECT   49   31                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
