COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       2.028  -1.123   1.327  1.00  0.00           N  
HETATM    2  C   UNL     1       7.845  -0.829  -0.697  1.00  0.00           C  
HETATM    3  O   UNL     1       6.724   1.666   0.199  1.00  0.00           O  
HETATM    4 CL   UNL     1      -5.320   1.235  -1.644  1.00  0.00          Cl  
HETATM    5  N   UNL     1      -2.799   0.585   1.225  1.00  0.00           N1+
HETATM    6  C   UNL     1      -4.368   0.429  -0.437  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.478  -0.966  -0.247  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.191  -2.004  -0.788  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.199  -1.892  -1.903  1.00  0.00           C  
HETATM   10  N   UNL     1      -4.839  -3.144  -0.156  1.00  0.00           N  
HETATM   11  C   UNL     1      -5.393  -4.465  -0.463  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.910  -2.908   0.796  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.290  -3.947   1.695  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.629  -1.567   0.811  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.787  -0.691   1.528  1.00  0.00           C  
HETATM   16  N   UNL     1      -3.533   1.105   0.317  1.00  0.00           N  
HETATM   17  C   UNL     1      -1.915   1.475   1.982  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.038   2.243   1.028  1.00  0.00           C  
HETATM   19  N   UNL     1      -1.335   3.448   0.470  1.00  0.00           N  
HETATM   20  C   UNL     1      -2.569   4.199   0.713  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.326   3.860  -0.342  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.299   5.144  -1.129  1.00  0.00           C  
HETATM   23  C   UNL     1       0.652   2.918  -0.326  1.00  0.00           C  
HETATM   24  C   UNL     1       0.179   1.850   0.582  1.00  0.00           C  
HETATM   25  C   UNL     1       1.961   2.751  -0.959  1.00  0.00           C  
HETATM   26  N   UNL     1       2.672   1.691  -0.722  1.00  0.00           N  
HETATM   27  N   UNL     1       2.266   0.662   0.124  1.00  0.00           N  
HETATM   28  C   UNL     1       1.061   0.694   0.781  1.00  0.00           C  
HETATM   29  N   UNL     1       0.971  -0.409   1.492  1.00  0.00           N  
HETATM   30  C   UNL     1       2.856  -0.518   0.500  1.00  0.00           C  
HETATM   31  C   UNL     1       4.174  -1.017   0.060  1.00  0.00           C  
HETATM   32  C   UNL     1       5.440  -0.258   0.008  1.00  0.00           C  
HETATM   33  C   UNL     1       5.645   1.141   0.381  1.00  0.00           C  
HETATM   34  C   UNL     1       4.471  -2.271  -0.373  1.00  0.00           C  
HETATM   35  C   UNL     1       3.493  -3.411  -0.494  1.00  0.00           C  
HETATM   36  N   UNL     1       5.796  -2.329  -0.685  1.00  0.00           N  
HETATM   37  C   UNL     1       6.482  -3.522  -1.188  1.00  0.00           C  
HETATM   38  C   UNL     1       6.389  -1.141  -0.465  1.00  0.00           C  
HETATM   39  H   UNL     1       7.981  -0.467  -1.716  1.00  0.00           H  
HETATM   40  H   UNL     1       8.168  -0.061   0.007  1.00  0.00           H  
HETATM   41  H   UNL     1       8.439  -1.731  -0.549  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.695  -2.017  -2.861  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.957  -2.667  -1.786  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.673  -0.911  -1.866  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.784  -4.945  -1.230  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.391  -5.078   0.438  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.415  -4.356  -0.826  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.395  -4.350   1.222  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.023  -3.489   2.648  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.005  -4.752   1.867  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.144  -1.064   2.311  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.516   2.173   2.565  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.292   0.884   2.653  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.430   4.862   1.567  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.815   4.790  -0.169  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.382   3.503   0.922  1.00  0.00           H  
HETATM   57  H   UNL     1       0.154   5.931  -0.525  1.00  0.00           H  
HETATM   58  H   UNL     1       0.287   5.002  -2.037  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.316   5.430  -1.395  1.00  0.00           H  
HETATM   60  H   UNL     1       2.337   3.512  -1.627  1.00  0.00           H  
HETATM   61  H   UNL     1       4.836   1.708   0.818  1.00  0.00           H  
HETATM   62  H   UNL     1       3.471  -3.971   0.441  1.00  0.00           H  
HETATM   63  H   UNL     1       2.499  -3.016  -0.704  1.00  0.00           H  
HETATM   64  H   UNL     1       3.801  -4.070  -1.305  1.00  0.00           H  
HETATM   65  H   UNL     1       6.437  -3.534  -2.277  1.00  0.00           H  
HETATM   66  H   UNL     1       7.523  -3.504  -0.867  1.00  0.00           H  
HETATM   67  H   UNL     1       5.995  -4.414  -0.794  1.00  0.00           H  
CONECT    1   29   30   30                                            
CONECT    2   38   39   40   41                                       
CONECT    3   33   33                                                 
CONECT    4    6                                                      
CONECT    5   15   15   17   16                                       
CONECT    6    7   16   16    4                                       
CONECT    7   14    8    8    6                                       
CONECT    8   10    9    7    7                                       
CONECT    9    8   42   43   44                                       
CONECT   10   11   12    8                                            
CONECT   11   10   45   46   47                                       
CONECT   12   13   10   14   14                                       
CONECT   13   12   48   49   50                                       
CONECT   14   12   12   15    7                                       
CONECT   15   14    5    5   51                                       
CONECT   16    5    6    6                                            
CONECT   17    5   18   52   53                                       
CONECT   18   17   24   24   19                                       
CONECT   19   18   20   21                                            
CONECT   20   19   54   55   56                                       
CONECT   21   19   23   23   22                                       
CONECT   22   21   57   58   59                                       
CONECT   23   24   25   21   21                                       
CONECT   24   28   18   18   23                                       
CONECT   25   26   26   23   60                                       
CONECT   26   27   25   25                                            
CONECT   27   30   28   26                                            
CONECT   28   29   29   27   24                                       
CONECT   29    1   28   28                                            
CONECT   30    1    1   31   27                                       
CONECT   31   34   34   30   32                                       
CONECT   32   31   38   38   33                                       
CONECT   33   32    3    3   61                                       
CONECT   34   35   36   31   31                                       
CONECT   35   34   62   63   64                                       
CONECT   36   37   34   38                                            
CONECT   37   36   65   66   67                                       
CONECT   38   36   32   32    2                                       
CONECT   39    2                                                      
CONECT   40    2                                                      
CONECT   41    2                                                      
CONECT   42    9                                                      
CONECT   43    9                                                      
CONECT   44    9                                                      
CONECT   45   11                                                      
CONECT   46   11                                                      
CONECT   47   11                                                      
CONECT   48   13                                                      
CONECT   49   13                                                      
CONECT   50   13                                                      
CONECT   51   15                                                      
CONECT   52   17                                                      
CONECT   53   17                                                      
CONECT   54   20                                                      
CONECT   55   20                                                      
CONECT   56   20                                                      
CONECT   57   22                                                      
CONECT   58   22                                                      
CONECT   59   22                                                      
CONECT   60   25                                                      
CONECT   61   33                                                      
CONECT   62   35                                                      
CONECT   63   35                                                      
CONECT   64   35                                                      
CONECT   65   37                                                      
CONECT   66   37                                                      
CONECT   67   37                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
