COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.996  -0.232   1.306  1.00  0.00           C  
HETATM    2  N   UNL     1       7.821   0.552   2.072  1.00  0.00           N  
HETATM    3  C   UNL     1       4.947  -0.532   0.282  1.00  0.00           C  
HETATM    4  C   UNL     1       5.354  -1.782  -0.197  1.00  0.00           C  
HETATM    5  C   UNL     1       6.659  -2.234   0.112  1.00  0.00           C  
HETATM    6  O   UNL     1       7.056  -3.316  -0.284  1.00  0.00           O  
HETATM    7  N   UNL     1       7.450  -1.440   0.868  1.00  0.00           N  
HETATM    8  N   UNL     1       5.788   0.201   1.021  1.00  0.00           N  
HETATM    9  N   UNL     1       4.320  -2.298  -0.905  1.00  0.00           N  
HETATM   10  C   UNL     1       3.326  -1.459  -0.888  1.00  0.00           C  
HETATM   11  N   UNL     1       3.664  -0.355  -0.162  1.00  0.00           N  
HETATM   12  C   UNL     1       2.814   0.811   0.090  1.00  0.00           C  
HETATM   13  O   UNL     1       1.422   0.463  -0.074  1.00  0.00           O  
HETATM   14  C   UNL     1       3.076   1.906  -0.967  1.00  0.00           C  
HETATM   15  O   UNL     1       3.969   2.896  -0.452  1.00  0.00           O  
HETATM   16  C   UNL     1       1.681   2.516  -1.231  1.00  0.00           C  
HETATM   17  O   UNL     1       1.669   3.904  -0.888  1.00  0.00           O  
HETATM   18  C   UNL     1       0.740   1.716  -0.299  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.608   1.474  -0.982  1.00  0.00           C  
HETATM   20  O   UNL     1      -1.475   0.772  -0.088  1.00  0.00           O  
HETATM   21  P   UNL     1      -2.979   0.350  -0.477  1.00  0.00           P  
HETATM   22  O   UNL     1      -2.941  -0.724  -1.677  1.00  0.00           O  
HETATM   23  O   UNL     1      -3.732   1.548  -0.911  1.00  0.00           O  
HETATM   24  O   UNL     1      -3.701  -0.303   0.805  1.00  0.00           O  
HETATM   25  C   UNL     1      -5.013  -0.583   0.615  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.407  -1.567  -0.314  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.719  -1.835  -0.492  1.00  0.00           C  
HETATM   28  C   UNL     1      -7.134  -2.888  -1.487  1.00  0.00           C  
HETATM   29  N   UNL     1      -7.669  -1.168   0.215  1.00  0.00           N  
HETATM   30  C   UNL     1      -7.332  -0.222   1.111  1.00  0.00           C  
HETATM   31  O   UNL     1      -8.203   0.364   1.735  1.00  0.00           O  
HETATM   32  C   UNL     1      -5.985   0.087   1.334  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.600   1.145   2.336  1.00  0.00           C  
HETATM   34  H   UNL     1       8.714   0.244   2.294  1.00  0.00           H  
HETATM   35  H   UNL     1       7.512   1.415   2.391  1.00  0.00           H  
HETATM   36  H   UNL     1       8.345  -1.732   1.100  1.00  0.00           H  
HETATM   37  H   UNL     1       2.373  -1.617  -1.371  1.00  0.00           H  
HETATM   38  H   UNL     1       2.992   1.201   1.092  1.00  0.00           H  
HETATM   39  H   UNL     1       3.480   1.467  -1.880  1.00  0.00           H  
HETATM   40  H   UNL     1       4.169   3.608  -1.075  1.00  0.00           H  
HETATM   41  H   UNL     1       1.395   2.379  -2.274  1.00  0.00           H  
HETATM   42  H   UNL     1       2.286   4.441  -1.403  1.00  0.00           H  
HETATM   43  H   UNL     1       0.600   2.246   0.642  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.057   2.431  -1.248  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.457   0.880  -1.883  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.397  -1.501  -1.492  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.663  -2.104  -0.882  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.188  -3.856  -0.989  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.112  -2.635  -1.896  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.403  -2.934  -2.293  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.500   1.623   2.724  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.051   0.685   3.157  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.972   1.893   1.852  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.605  -1.377   0.071  1.00  0.00           H  
CONECT    1    8    8    7    2                                       
CONECT    2    1   34   35                                            
CONECT    3   11    4    4    8                                       
CONECT    4    9    3    3    5                                       
CONECT    5    4    6    6    7                                       
CONECT    6    5    5                                                 
CONECT    7    5    1   36                                            
CONECT    8    3    1    1                                            
CONECT    9   10   10    4                                            
CONECT   10   11    9    9   37                                       
CONECT   11   12   10    3                                            
CONECT   12   13   14   11   38                                       
CONECT   13   18   12                                                 
CONECT   14   16   15   12   39                                       
CONECT   15   14   40                                                 
CONECT   16   18   17   14   41                                       
CONECT   17   16   42                                                 
CONECT   18   19   13   16   43                                       
CONECT   19   18   20   44   45                                       
CONECT   20   19   21                                                 
CONECT   21   23   23   24   20                                       
CONECT   21   22                                                      
CONECT   22   21   46                                                 
CONECT   23   21   21                                                 
CONECT   24   25   21                                                 
CONECT   25   32   32   24   26                                       
CONECT   26   25   27   27   47                                       
CONECT   27   29   26   26   28                                       
CONECT   28   27   48   49   50                                       
CONECT   29   30   27   54                                            
CONECT   30   31   31   32   29                                       
CONECT   31   30   30                                                 
CONECT   32   33   30   25   25                                       
CONECT   33   32   51   52   53                                       
CONECT   34    2                                                      
CONECT   35    2                                                      
CONECT   36    7                                                      
CONECT   37   10                                                      
CONECT   38   12                                                      
CONECT   39   14                                                      
CONECT   40   15                                                      
CONECT   41   16                                                      
CONECT   42   17                                                      
CONECT   43   18                                                      
CONECT   44   19                                                      
CONECT   45   19                                                      
CONECT   46   22                                                      
CONECT   47   26                                                      
CONECT   48   28                                                      
CONECT   49   28                                                      
CONECT   50   28                                                      
CONECT   51   33                                                      
CONECT   52   33                                                      
CONECT   53   33                                                      
CONECT   54   29                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
