COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.075  -1.180   0.059  1.00  0.00           C  
HETATM    2  C   UNL     1       5.087  -2.219  -0.878  1.00  0.00           C  
HETATM    3  C   UNL     1       6.193  -3.102  -0.895  1.00  0.00           C  
HETATM    4  C   UNL     1       3.246  -1.113  -1.170  1.00  0.00           C  
HETATM    5  N   UNL     1       7.189  -2.900  -0.004  1.00  0.00           N  
HETATM    6  N   UNL     1       8.145  -1.689   1.778  1.00  0.00           N  
HETATM    7  N   UNL     1       6.100  -1.039   0.907  1.00  0.00           N  
HETATM    8  O   UNL     1      -8.403  -3.403   1.299  1.00  0.00           O  
HETATM    9  C   UNL     1      -7.438  -3.306   0.579  1.00  0.00           C  
HETATM   10  O   UNL     1      -7.397  -3.978  -0.582  1.00  0.00           O  
HETATM   11  C   UNL     1      -6.280  -2.431   0.984  1.00  0.00           C  
HETATM   12  O   UNL     1      -6.507  -1.919   2.299  1.00  0.00           O  
HETATM   13  C   UNL     1      -6.151  -1.266   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1      -4.985  -0.503   0.315  1.00  0.00           O  
HETATM   15  P   UNL     1      -4.539   0.800  -0.518  1.00  0.00           P  
HETATM   16  O   UNL     1      -5.645   1.956  -0.340  1.00  0.00           O  
HETATM   17  O   UNL     1      -4.416   0.451  -1.951  1.00  0.00           O  
HETATM   18  O   UNL     1      -3.119   1.327   0.030  1.00  0.00           O  
HETATM   19  P   UNL     1      -2.012   2.349  -0.537  1.00  0.00           P  
HETATM   20  O   UNL     1      -2.478   3.862  -0.245  1.00  0.00           O  
HETATM   21  O   UNL     1      -1.860   2.153  -1.996  1.00  0.00           O  
HETATM   22  O   UNL     1      -0.603   2.072   0.192  1.00  0.00           O  
HETATM   23  C   UNL     1       0.605   2.746  -0.167  1.00  0.00           C  
HETATM   24  C   UNL     1       1.749   2.248   0.719  1.00  0.00           C  
HETATM   25  O   UNL     1       2.028   0.869   0.427  1.00  0.00           O  
HETATM   26  C   UNL     1       3.030   3.052   0.421  1.00  0.00           C  
HETATM   27  O   UNL     1       3.480   3.728   1.596  1.00  0.00           O  
HETATM   28  C   UNL     1       4.057   1.979  -0.014  1.00  0.00           C  
HETATM   29  O   UNL     1       5.345   2.248   0.544  1.00  0.00           O  
HETATM   30  C   UNL     1       3.451   0.683   0.592  1.00  0.00           C  
HETATM   31  N   UNL     1       3.907  -0.496  -0.148  1.00  0.00           N  
HETATM   32  C   UNL     1       7.119  -1.869   0.885  1.00  0.00           C  
HETATM   33  O   UNL     1       6.245  -4.021  -1.694  1.00  0.00           O  
HETATM   34  N   UNL     1       3.945  -2.123  -1.601  1.00  0.00           N  
HETATM   35  H   UNL     1       2.290  -0.806  -1.567  1.00  0.00           H  
HETATM   36  H   UNL     1       7.957  -3.492   0.003  1.00  0.00           H  
HETATM   37  H   UNL     1       8.905  -2.291   1.771  1.00  0.00           H  
HETATM   38  H   UNL     1       8.109  -0.960   2.417  1.00  0.00           H  
HETATM   39  H   UNL     1      -8.163  -4.526  -0.800  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.361  -3.017   0.976  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.310  -1.387   2.381  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.067  -1.656  -1.014  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.033  -0.630   0.073  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.779   2.235   0.576  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.598   4.063   0.693  1.00  0.00           H  
HETATM   46  H   UNL     1       0.839   2.541  -1.212  1.00  0.00           H  
HETATM   47  H   UNL     1       0.477   3.819  -0.027  1.00  0.00           H  
HETATM   48  H   UNL     1       1.479   2.358   1.769  1.00  0.00           H  
HETATM   49  H   UNL     1       2.854   3.764  -0.385  1.00  0.00           H  
HETATM   50  H   UNL     1       4.284   4.250   1.465  1.00  0.00           H  
HETATM   51  H   UNL     1       4.112   1.911  -1.101  1.00  0.00           H  
HETATM   52  H   UNL     1       5.765   3.047   0.197  1.00  0.00           H  
HETATM   53  H   UNL     1       3.706   0.597   1.648  1.00  0.00           H  
CONECT    1    2    2   31    7                                       
CONECT    2    3   34    1    1                                       
CONECT    3   33   33    2    5                                       
CONECT    4   34   34   31   35                                       
CONECT    5    3   32   36                                            
CONECT    6   32   37   38                                            
CONECT    7    1   32   32                                            
CONECT    8    9    9                                                 
CONECT    9   11    8    8   10                                       
CONECT   10    9   39                                                 
CONECT   11   13   12    9   40                                       
CONECT   12   11   41                                                 
CONECT   13   14   11   42   43                                       
CONECT   14   15   13                                                 
CONECT   15   17   17   18   16                                       
CONECT   15   14                                                      
CONECT   16   15   44                                                 
CONECT   17   15   15                                                 
CONECT   18   19   15                                                 
CONECT   19   21   21   22   20                                       
CONECT   19   18                                                      
CONECT   20   19   45                                                 
CONECT   21   19   19                                                 
CONECT   22   19   23                                                 
CONECT   23   22   24   46   47                                       
CONECT   24   26   25   23   48                                       
CONECT   25   30   24                                                 
CONECT   26   28   27   24   49                                       
CONECT   27   26   50                                                 
CONECT   28   29   30   26   51                                       
CONECT   29   28   52                                                 
CONECT   30   31   28   25   53                                       
CONECT   31    4    1   30                                            
CONECT   32    5    7    7    6                                       
CONECT   33    3    3                                                 
CONECT   34    2    4    4                                            
CONECT   35    4                                                      
CONECT   36    5                                                      
CONECT   37    6                                                      
CONECT   38    6                                                      
CONECT   39   10                                                      
CONECT   40   11                                                      
CONECT   41   12                                                      
CONECT   42   13                                                      
CONECT   43   13                                                      
CONECT   44   16                                                      
CONECT   45   20                                                      
CONECT   46   23                                                      
CONECT   47   23                                                      
CONECT   48   24                                                      
CONECT   49   26                                                      
CONECT   50   27                                                      
CONECT   51   28                                                      
CONECT   52   29                                                      
CONECT   53   30                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
