COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       8.056   2.116  -0.342  1.00  0.00           N  
HETATM    2  C   UNL     1       7.580   1.365  -1.375  1.00  0.00           C  
HETATM    3  N   UNL     1       8.278   1.339  -2.556  1.00  0.00           N  
HETATM    4  N   UNL     1       6.473   0.664  -1.272  1.00  0.00           N  
HETATM    5  C   UNL     1       5.760   0.659  -0.139  1.00  0.00           C  
HETATM    6  C   UNL     1       6.196   1.411   0.958  1.00  0.00           C  
HETATM    7  C   UNL     1       7.389   2.161   0.833  1.00  0.00           C  
HETATM    8  O   UNL     1       7.809   2.826   1.765  1.00  0.00           O  
HETATM    9  N   UNL     1       5.297   1.226   1.955  1.00  0.00           N  
HETATM   10  C   UNL     1       4.359   0.423   1.546  1.00  0.00           C  
HETATM   11  N   UNL     1       4.602   0.047   0.256  1.00  0.00           N  
HETATM   12  P   UNL     1      -1.882  -1.681   0.734  1.00  0.00           P  
HETATM   13  P   UNL     1      -4.462  -0.333   0.179  1.00  0.00           P  
HETATM   14  P   UNL     1      -6.690   1.441  -0.689  1.00  0.00           P  
HETATM   15  C   UNL     1       3.774  -0.849  -0.555  1.00  0.00           C  
HETATM   16  O   UNL     1      -1.715  -1.458   2.320  1.00  0.00           O  
HETATM   17  O   UNL     1      -4.903  -0.199   1.586  1.00  0.00           O  
HETATM   18  O   UNL     1      -7.170   1.587   0.841  1.00  0.00           O  
HETATM   19  C   UNL     1       4.262  -2.308  -0.414  1.00  0.00           C  
HETATM   20  O   UNL     1      -2.450  -3.024   0.481  1.00  0.00           O  
HETATM   21  O   UNL     1      -5.202  -1.593  -0.497  1.00  0.00           O  
HETATM   22  O   UNL     1      -7.065   2.781  -1.499  1.00  0.00           O  
HETATM   23  C   UNL     1       2.961  -3.141  -0.424  1.00  0.00           C  
HETATM   24  O   UNL     1       2.951  -4.041  -1.534  1.00  0.00           O  
HETATM   25  O   UNL     1      -2.869  -0.559   0.136  1.00  0.00           O  
HETATM   26  C   UNL     1      -4.886   1.185  -0.738  1.00  0.00           C  
HETATM   27 CL   UNL     1      -4.058   2.596   0.019  1.00  0.00          Cl  
HETATM   28  O   UNL     1      -7.370   0.282  -1.310  1.00  0.00           O  
HETATM   29  C   UNL     1       1.842  -2.088  -0.570  1.00  0.00           C  
HETATM   30  O   UNL     1       2.417  -0.864  -0.062  1.00  0.00           O  
HETATM   31  C   UNL     1       0.622  -2.488   0.262  1.00  0.00           C  
HETATM   32  O   UNL     1      -0.442  -1.564   0.023  1.00  0.00           O  
HETATM   33  H   UNL     1       8.878   2.619  -0.449  1.00  0.00           H  
HETATM   34  H   UNL     1       9.097   1.851  -2.647  1.00  0.00           H  
HETATM   35  H   UNL     1       7.952   0.809  -3.300  1.00  0.00           H  
HETATM   36  H   UNL     1       3.513   0.104   2.137  1.00  0.00           H  
HETATM   37  H   UNL     1       3.795  -0.540  -1.600  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.347  -0.597   2.560  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.764   2.327   1.312  1.00  0.00           H  
HETATM   40  H   UNL     1       4.898  -2.582  -1.256  1.00  0.00           H  
HETATM   41  H   UNL     1       4.795  -2.443   0.527  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.960  -1.741  -1.421  1.00  0.00           H  
HETATM   43  H   UNL     1      -8.011   2.980  -1.514  1.00  0.00           H  
HETATM   44  H   UNL     1       2.851  -3.688   0.513  1.00  0.00           H  
HETATM   45  H   UNL     1       3.671  -4.686  -1.524  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.562   1.086  -1.774  1.00  0.00           H  
HETATM   47  H   UNL     1       1.564  -1.972  -1.618  1.00  0.00           H  
HETATM   48  H   UNL     1       0.302  -3.491  -0.021  1.00  0.00           H  
HETATM   49  H   UNL     1       0.883  -2.474   1.320  1.00  0.00           H  
CONECT    1    2    7   33                                            
CONECT    2    3    1    4    4                                       
CONECT    3    2   34   35                                            
CONECT    4    2    2    5                                            
CONECT    5    4    6    6   11                                       
CONECT    6    7    5    5    9                                       
CONECT    7    1    8    8    6                                       
CONECT    8    7    7                                                 
CONECT    9    6   10   10                                            
CONECT   10   11    9    9   36                                       
CONECT   11    5   15   10                                            
CONECT   12   32   25   20   20                                       
CONECT   12   16                                                      
CONECT   13   17   17   25   21                                       
CONECT   13   26                                                      
CONECT   14   26   28   28   18                                       
CONECT   14   22                                                      
CONECT   15   19   11   30   37                                       
CONECT   16   12   38                                                 
CONECT   17   13   13                                                 
CONECT   18   14   39                                                 
CONECT   19   15   23   40   41                                       
CONECT   20   12   12                                                 
CONECT   21   13   42                                                 
CONECT   22   14   43                                                 
CONECT   23   19   24   29   44                                       
CONECT   24   23   45                                                 
CONECT   25   13   12                                                 
CONECT   26   13   27   14   46                                       
CONECT   27   26                                                      
CONECT   28   14   14                                                 
CONECT   29   23   30   31   47                                       
CONECT   30   15   29                                                 
CONECT   31   29   32   48   49                                       
CONECT   32   31   12                                                 
CONECT   33    1                                                      
CONECT   34    3                                                      
CONECT   35    3                                                      
CONECT   36   10                                                      
CONECT   37   15                                                      
CONECT   38   16                                                      
CONECT   39   18                                                      
CONECT   40   19                                                      
CONECT   41   19                                                      
CONECT   42   21                                                      
CONECT   43   22                                                      
CONECT   44   23                                                      
CONECT   45   24                                                      
CONECT   46   26                                                      
CONECT   47   29                                                      
CONECT   48   31                                                      
CONECT   49   31                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
