COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  N   UNL     1       5.637   0.188   2.081  1.00  0.00           N  
HETATM    2  C   UNL     1       4.659   0.157   0.986  1.00  0.00           C  
HETATM    3  C   UNL     1       3.267   0.070   1.558  1.00  0.00           C  
HETATM    4  O   UNL     1       3.102  -0.322   2.694  1.00  0.00           O  
HETATM    5  C   UNL     1       4.923  -1.062   0.101  1.00  0.00           C  
HETATM    6  C   UNL     1       6.286  -0.913  -0.579  1.00  0.00           C  
HETATM    7  C   UNL     1       6.547  -2.114  -1.451  1.00  0.00           C  
HETATM    8  O   UNL     1       5.726  -2.998  -1.522  1.00  0.00           O  
HETATM    9  O   UNL     1       7.690  -2.201  -2.149  1.00  0.00           O  
HETATM   10  N   UNL     1       2.206   0.427   0.808  1.00  0.00           N  
HETATM   11  C   UNL     1       0.854   0.342   1.364  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.144   0.796   0.330  1.00  0.00           C  
HETATM   13  O   UNL     1       0.237   1.154  -0.765  1.00  0.00           O  
HETATM   14  N   UNL     1      -1.460   0.803   0.620  1.00  0.00           N  
HETATM   15  C   UNL     1      -2.430   1.243  -0.385  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.560   2.767  -0.335  1.00  0.00           C  
HETATM   17  O   UNL     1      -3.507   3.197  -1.316  1.00  0.00           O  
HETATM   18  C   UNL     1      -3.790   0.605  -0.096  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.689  -0.912  -0.269  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.049  -1.550   0.020  1.00  0.00           C  
HETATM   21  N   UNL     1      -4.952  -3.002  -0.145  1.00  0.00           N  
HETATM   22  C   UNL     1      -6.052  -3.789   0.063  1.00  0.00           C  
HETATM   23  N   UNL     1      -7.210  -3.235   0.415  1.00  0.00           N  
HETATM   24  N   UNL     1      -5.964  -5.109  -0.088  1.00  0.00           N1+
HETATM   25  C   UNL     1      -1.200   3.405  -0.624  1.00  0.00           C  
HETATM   26 CL   UNL     1      -1.319   5.193  -0.421  1.00  0.00          Cl  
HETATM   27  H   UNL     1       5.525   1.018   2.644  1.00  0.00           H  
HETATM   28  H   UNL     1       5.572  -0.644   2.648  1.00  0.00           H  
HETATM   29  H   UNL     1       4.751   1.065   0.391  1.00  0.00           H  
HETATM   30  H   UNL     1       4.919  -1.964   0.713  1.00  0.00           H  
HETATM   31  H   UNL     1       4.145  -1.135  -0.659  1.00  0.00           H  
HETATM   32  H   UNL     1       6.290  -0.011  -1.191  1.00  0.00           H  
HETATM   33  H   UNL     1       7.064  -0.840   0.181  1.00  0.00           H  
HETATM   34  H   UNL     1       7.812  -2.990  -2.695  1.00  0.00           H  
HETATM   35  H   UNL     1       2.339   0.740  -0.101  1.00  0.00           H  
HETATM   36  H   UNL     1       0.641  -0.689   1.647  1.00  0.00           H  
HETATM   37  H   UNL     1       0.782   0.982   2.243  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.765   0.516   1.495  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.090   0.940  -1.376  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.089   0.835   0.927  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.532   1.001  -0.789  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.390  -1.142  -1.291  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.947  -1.308   0.425  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.348  -1.320   1.043  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.791  -1.154  -0.673  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.108  -3.406  -0.402  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.274  -2.273   0.525  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.990  -3.793   0.562  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.120  -5.513  -0.345  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.743  -5.668   0.060  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.901   3.070   0.655  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.393   2.830  -1.194  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.458   3.009   0.069  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.901   3.175  -1.647  1.00  0.00           H  
CONECT    1    2   27   28                                            
CONECT    2    1    3    5   29                                       
CONECT    3    2    4    4   10                                       
CONECT    4    3    3                                                 
CONECT    5    2    6   30   31                                       
CONECT    6    5    7   32   33                                       
CONECT    7    6    8    8    9                                       
CONECT    8    7    7                                                 
CONECT    9    7   34                                                 
CONECT   10    3   11   35                                            
CONECT   11   10   12   36   37                                       
CONECT   12   11   13   13   14                                       
CONECT   13   12   12                                                 
CONECT   14   12   15   38                                            
CONECT   15   14   16   18   39                                       
CONECT   16   15   17   25   51                                       
CONECT   17   16   52                                                 
CONECT   18   15   19   40   41                                       
CONECT   19   18   20   42   43                                       
CONECT   20   19   21   44   45                                       
CONECT   21   20   22   46                                            
CONECT   22   21   23   24   24                                       
CONECT   23   22   47   48                                            
CONECT   24   22   22   49   50                                       
CONECT   25   16   53   54   26                                       
CONECT   26   25                                                      
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    2                                                      
CONECT   30    5                                                      
CONECT   31    5                                                      
CONECT   32    6                                                      
CONECT   33    6                                                      
CONECT   34    9                                                      
CONECT   35   10                                                      
CONECT   36   11                                                      
CONECT   37   11                                                      
CONECT   38   14                                                      
CONECT   39   15                                                      
CONECT   40   18                                                      
CONECT   41   18                                                      
CONECT   42   19                                                      
CONECT   43   19                                                      
CONECT   44   20                                                      
CONECT   45   20                                                      
CONECT   46   21                                                      
CONECT   47   23                                                      
CONECT   48   23                                                      
CONECT   49   24                                                      
CONECT   50   24                                                      
CONECT   51   16                                                      
CONECT   52   17                                                      
CONECT   53   25                                                      
CONECT   54   25                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
