COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.368  -0.820  -0.658  1.00  0.00           C  
HETATM    2  C   UNL     1       1.766  -4.010   0.756  1.00  0.00           C  
HETATM    3  C   UNL     1       1.744  -2.499   0.996  1.00  0.00           C  
HETATM    4  O   UNL     1       3.078  -2.022   1.235  1.00  0.00           O  
HETATM    5  C   UNL     1       3.160  -0.696   0.669  1.00  0.00           C  
HETATM    6  N   UNL     1       4.555  -0.333   0.404  1.00  0.00           N  
HETATM    7  C   UNL     1       5.604  -1.196   0.288  1.00  0.00           C  
HETATM    8  N   UNL     1       6.700  -0.533   0.053  1.00  0.00           N  
HETATM    9  C   UNL     1       6.423   0.792   0.004  1.00  0.00           C  
HETATM   10  C   UNL     1       7.186   1.953  -0.210  1.00  0.00           C  
HETATM   11  N   UNL     1       8.548   1.874  -0.438  1.00  0.00           N  
HETATM   12  N   UNL     1       6.567   3.129  -0.190  1.00  0.00           N  
HETATM   13  C   UNL     1       5.267   3.215   0.026  1.00  0.00           C  
HETATM   14  N   UNL     1       4.514   2.155   0.231  1.00  0.00           N  
HETATM   15  C   UNL     1       5.043   0.936   0.222  1.00  0.00           C  
HETATM   16  C   UNL     1       1.217  -1.777  -0.260  1.00  0.00           C  
HETATM   17  O   UNL     1       0.035  -1.036   0.048  1.00  0.00           O  
HETATM   18  P   UNL     1      -1.359  -1.248  -0.729  1.00  0.00           P  
HETATM   19  O   UNL     1      -1.749  -2.674  -0.664  1.00  0.00           O  
HETATM   20  O   UNL     1      -1.188  -0.809  -2.269  1.00  0.00           O  
HETATM   21  O   UNL     1      -2.501  -0.347  -0.038  1.00  0.00           O  
HETATM   22  P   UNL     1      -4.111  -0.388  -0.038  1.00  0.00           P  
HETATM   23  O   UNL     1      -4.619  -1.505   1.005  1.00  0.00           O  
HETATM   24  O   UNL     1      -4.596  -0.724  -1.395  1.00  0.00           O  
HETATM   25  O   UNL     1      -4.684   1.052   0.396  1.00  0.00           O  
HETATM   26  P   UNL     1      -6.130   1.754   0.304  1.00  0.00           P  
HETATM   27  O   UNL     1      -7.061   1.226   1.507  1.00  0.00           O  
HETATM   28  O   UNL     1      -5.960   3.351   0.419  1.00  0.00           O  
HETATM   29  O   UNL     1      -6.760   1.417  -0.992  1.00  0.00           O  
HETATM   30  H   UNL     1       1.978   0.148  -0.970  1.00  0.00           H  
HETATM   31  H   UNL     1       2.986  -1.260  -1.441  1.00  0.00           H  
HETATM   32  H   UNL     1       2.151  -4.512   1.644  1.00  0.00           H  
HETATM   33  H   UNL     1       0.755  -4.360   0.550  1.00  0.00           H  
HETATM   34  H   UNL     1       2.408  -4.233  -0.095  1.00  0.00           H  
HETATM   35  H   UNL     1       1.109  -2.269   1.852  1.00  0.00           H  
HETATM   36  H   UNL     1       2.691   0.033   1.329  1.00  0.00           H  
HETATM   37  H   UNL     1       5.537  -2.270   0.378  1.00  0.00           H  
HETATM   38  H   UNL     1       8.988   1.010  -0.451  1.00  0.00           H  
HETATM   39  H   UNL     1       9.064   2.683  -0.584  1.00  0.00           H  
HETATM   40  H   UNL     1       4.804   4.191   0.035  1.00  0.00           H  
HETATM   41  H   UNL     1       1.022  -2.492  -1.059  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.932   0.116  -2.388  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.337  -1.349   1.916  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.709   1.412   2.388  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.793   3.840   0.371  1.00  0.00           H  
CONECT    1   16    5   30   31                                       
CONECT    2    3   32   33   34                                       
CONECT    3   16    4    2   35                                       
CONECT    4    5    3                                                 
CONECT    5    1    6    4   36                                       
CONECT    6    7    5   15                                            
CONECT    7    8    8    6   37                                       
CONECT    8    7    7    9                                            
CONECT    9    8   15   15   10                                       
CONECT   10    9   11   12   12                                       
CONECT   11   10   38   39                                            
CONECT   12   10   10   13                                            
CONECT   13   14   14   12   40                                       
CONECT   14   15   13   13                                            
CONECT   15    6    9    9   14                                       
CONECT   16    1   17    3   41                                       
CONECT   17   18   16                                                 
CONECT   18   19   19   21   20                                       
CONECT   18   17                                                      
CONECT   19   18   18                                                 
CONECT   20   18   42                                                 
CONECT   21   22   18                                                 
CONECT   22   24   24   25   23                                       
CONECT   22   21                                                      
CONECT   23   22   43                                                 
CONECT   24   22   22                                                 
CONECT   25   26   22                                                 
CONECT   26   29   29   28   27                                       
CONECT   26   25                                                      
CONECT   27   26   44                                                 
CONECT   28   26   45                                                 
CONECT   29   26   26                                                 
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    2                                                      
CONECT   33    2                                                      
CONECT   34    2                                                      
CONECT   35    3                                                      
CONECT   36    5                                                      
CONECT   37    7                                                      
CONECT   38   11                                                      
CONECT   39   11                                                      
CONECT   40   13                                                      
CONECT   41   16                                                      
CONECT   42   20                                                      
CONECT   43   23                                                      
CONECT   44   27                                                      
CONECT   45   28                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
