COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -8.240  -2.235  -0.773  1.00  0.00           N  
HETATM    2  C   UNL     1      -7.774  -1.451  -1.727  1.00  0.00           C  
HETATM    3  N   UNL     1      -6.682  -0.730  -1.579  1.00  0.00           N  
HETATM    4  C   UNL     1      -5.996  -0.766  -0.442  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.452  -1.586   0.605  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.622  -2.336   0.399  1.00  0.00           C  
HETATM    7  N   UNL     1      -8.118  -3.161   1.393  1.00  0.00           N  
HETATM    8  N   UNL     1      -5.583  -1.439   1.634  1.00  0.00           N  
HETATM    9  C   UNL     1      -4.646  -0.603   1.294  1.00  0.00           C  
HETATM   10  N   UNL     1      -4.856  -0.160   0.022  1.00  0.00           N  
HETATM   11  P   UNL     1       1.584   1.626   0.788  1.00  0.00           P  
HETATM   12  P   UNL     1       4.200   0.345   0.238  1.00  0.00           P  
HETATM   13  P   UNL     1       6.479  -1.348  -0.658  1.00  0.00           P  
HETATM   14  C   UNL     1      -4.019   0.790  -0.714  1.00  0.00           C  
HETATM   15  O   UNL     1       1.375   1.314   2.354  1.00  0.00           O  
HETATM   16  O   UNL     1       4.601   0.140   1.648  1.00  0.00           O  
HETATM   17  O   UNL     1       6.915  -1.571   0.876  1.00  0.00           O  
HETATM   18  C   UNL     1      -4.533   2.233  -0.508  1.00  0.00           C  
HETATM   19  O   UNL     1       2.139   2.988   0.626  1.00  0.00           O  
HETATM   20  O   UNL     1       4.940   1.650  -0.346  1.00  0.00           O  
HETATM   21  O   UNL     1       6.897  -2.637  -1.528  1.00  0.00           O  
HETATM   22  C   UNL     1      -3.245   3.083  -0.434  1.00  0.00           C  
HETATM   23  O   UNL     1      -3.216   4.041  -1.493  1.00  0.00           O  
HETATM   24  O   UNL     1       2.605   0.552   0.159  1.00  0.00           O  
HETATM   25  C   UNL     1       4.673  -1.114  -0.747  1.00  0.00           C  
HETATM   26 CL   UNL     1       3.844  -2.576  -0.093  1.00  0.00          Cl  
HETATM   27  O   UNL     1       7.159  -0.148  -1.195  1.00  0.00           O  
HETATM   28  C   UNL     1      -2.105   2.054  -0.604  1.00  0.00           C  
HETATM   29  O   UNL     1      -2.677   0.797  -0.181  1.00  0.00           O  
HETATM   30  C   UNL     1      -0.916   2.424   0.285  1.00  0.00           C  
HETATM   31  O   UNL     1       0.168   1.529   0.028  1.00  0.00           O  
HETATM   32  H   UNL     1      -8.308  -1.398  -2.665  1.00  0.00           H  
HETATM   33  H   UNL     1      -8.927  -3.674   1.238  1.00  0.00           H  
HETATM   34  H   UNL     1      -7.658  -3.227   2.244  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.823  -0.303   1.926  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.004   0.539  -1.775  1.00  0.00           H  
HETATM   37  H   UNL     1       1.013   0.436   2.535  1.00  0.00           H  
HETATM   38  H   UNL     1       6.507  -2.342   1.293  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.147   2.543  -1.353  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.095   2.308   0.422  1.00  0.00           H  
HETATM   41  H   UNL     1       4.723   1.846  -1.268  1.00  0.00           H  
HETATM   42  H   UNL     1       7.846  -2.822  -1.526  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.170   3.579   0.534  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.945   4.676  -1.469  1.00  0.00           H  
HETATM   45  H   UNL     1       4.377  -0.963  -1.785  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.795   1.999  -1.647  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.604   3.445   0.068  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.208   2.349   1.333  1.00  0.00           H  
CONECT    1    2    2    6                                            
CONECT    2    1    1    3   32                                       
CONECT    3    2    4    4                                            
CONECT    4    3    3    5   10                                       
CONECT    5    6    6    4    8                                       
CONECT    6    1    7    5    5                                       
CONECT    7    6   33   34                                            
CONECT    8    5    9    9                                            
CONECT    9   10    8    8   35                                       
CONECT   10    4   14    9                                            
CONECT   11   31   24   19   19                                       
CONECT   11   15                                                      
CONECT   12   16   16   24   20                                       
CONECT   12   25                                                      
CONECT   13   25   27   27   17                                       
CONECT   13   21                                                      
CONECT   14   18   10   29   36                                       
CONECT   15   11   37                                                 
CONECT   16   12   12                                                 
CONECT   17   13   38                                                 
CONECT   18   14   22   39   40                                       
CONECT   19   11   11                                                 
CONECT   20   12   41                                                 
CONECT   21   13   42                                                 
CONECT   22   18   23   28   43                                       
CONECT   23   22   44                                                 
CONECT   24   12   11                                                 
CONECT   25   12   26   13   45                                       
CONECT   26   25                                                      
CONECT   27   13   13                                                 
CONECT   28   22   29   30   46                                       
CONECT   29   14   28                                                 
CONECT   30   28   31   47   48                                       
CONECT   31   30   11                                                 
CONECT   32    2                                                      
CONECT   33    7                                                      
CONECT   34    7                                                      
CONECT   35    9                                                      
CONECT   36   14                                                      
CONECT   37   15                                                      
CONECT   38   17                                                      
CONECT   39   18                                                      
CONECT   40   18                                                      
CONECT   41   20                                                      
CONECT   42   21                                                      
CONECT   43   22                                                      
CONECT   44   23                                                      
CONECT   45   25                                                      
CONECT   46   28                                                      
CONECT   47   30                                                      
CONECT   48   30                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
