COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.822  -1.911  -0.044  1.00  0.00           C  
HETATM    2  C   UNL     1       2.631  -0.997   0.639  1.00  0.00           C  
HETATM    3  C   UNL     1       4.021  -1.249   0.718  1.00  0.00           C  
HETATM    4  C   UNL     1       0.596  -0.258   0.745  1.00  0.00           C  
HETATM    5  N   UNL     1       4.504  -2.365   0.129  1.00  0.00           N  
HETATM    6  N   UNL     1       4.185  -4.344  -1.112  1.00  0.00           N  
HETATM    7  N   UNL     1       2.373  -2.995  -0.604  1.00  0.00           N  
HETATM    8  C   UNL     1       4.057   2.290   0.544  1.00  0.00           C  
HETATM    9  C   UNL     1       4.486   3.281  -0.321  1.00  0.00           C  
HETATM   10 CL   UNL     1       6.151   3.346  -0.809  1.00  0.00          Cl  
HETATM   11  C   UNL     1       3.588   4.219  -0.797  1.00  0.00           C  
HETATM   12  C   UNL     1       2.263   4.166  -0.408  1.00  0.00           C  
HETATM   13  C   UNL     1       1.835   3.176   0.456  1.00  0.00           C  
HETATM   14  C   UNL     1       2.731   2.235   0.928  1.00  0.00           C  
HETATM   15  C   UNL     1       2.263   1.155   1.870  1.00  0.00           C  
HETATM   16  N   UNL     1       1.823  -0.010   1.098  1.00  0.00           N1+
HETATM   17  O   UNL     1       4.763  -0.479   1.303  1.00  0.00           O  
HETATM   18  C   UNL     1       3.665  -3.218  -0.523  1.00  0.00           C  
HETATM   19  N   UNL     1       0.545  -1.427   0.041  1.00  0.00           N  
HETATM   20  C   UNL     1      -0.656  -2.044  -0.526  1.00  0.00           C  
HETATM   21  O   UNL     1      -1.719  -1.074  -0.645  1.00  0.00           O  
HETATM   22  C   UNL     1      -1.238  -3.101   0.446  1.00  0.00           C  
HETATM   23  O   UNL     1      -0.614  -4.372   0.252  1.00  0.00           O  
HETATM   24  C   UNL     1      -2.727  -3.147   0.023  1.00  0.00           C  
HETATM   25  O   UNL     1      -2.962  -4.245  -0.861  1.00  0.00           O  
HETATM   26  C   UNL     1      -2.953  -1.809  -0.708  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.064  -1.019  -0.014  1.00  0.00           C  
HETATM   28  N   UNL     1      -4.343   0.203  -0.773  1.00  0.00           N  
HETATM   29  C   UNL     1      -5.308   1.074  -0.340  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.238   1.118   0.802  1.00  0.00           C  
HETATM   31  O   UNL     1      -6.467   0.395   1.753  1.00  0.00           O  
HETATM   32  C   UNL     1      -6.776   2.410   0.310  1.00  0.00           C  
HETATM   33  O   UNL     1      -7.626   3.206   0.664  1.00  0.00           O  
HETATM   34  C   UNL     1      -5.816   2.295  -0.795  1.00  0.00           C  
HETATM   35  O   UNL     1      -5.532   3.077  -1.859  1.00  0.00           O  
HETATM   36  H   UNL     1      -0.256   0.363   0.979  1.00  0.00           H  
HETATM   37  H   UNL     1       5.454  -2.559   0.170  1.00  0.00           H  
HETATM   38  H   UNL     1       5.137  -4.522  -1.061  1.00  0.00           H  
HETATM   39  H   UNL     1       3.601  -4.960  -1.580  1.00  0.00           H  
HETATM   40  H   UNL     1       4.758   1.556   0.916  1.00  0.00           H  
HETATM   41  H   UNL     1       3.922   4.993  -1.472  1.00  0.00           H  
HETATM   42  H   UNL     1       1.561   4.899  -0.779  1.00  0.00           H  
HETATM   43  H   UNL     1       0.799   3.135   0.761  1.00  0.00           H  
HETATM   44  H   UNL     1       3.083   0.866   2.527  1.00  0.00           H  
HETATM   45  H   UNL     1       1.433   1.529   2.468  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.434  -2.494  -1.494  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.138  -2.774   1.481  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.945  -5.066   0.838  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.371  -3.219   0.899  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.778  -5.110  -0.471  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.221  -1.995  -1.748  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.967  -1.629   0.036  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.748  -0.756   0.995  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.843   0.395  -1.583  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.068   3.880  -1.912  1.00  0.00           H  
CONECT    1    2    2   19    7                                       
CONECT    2   16    3    1    1                                       
CONECT    3   17   17    2    5                                       
CONECT    4   16   16   19   36                                       
CONECT    5    3   18   37                                            
CONECT    6   18   38   39                                            
CONECT    7    1   18   18                                            
CONECT    8   14   14    9   40                                       
CONECT    9   11   11    8   10                                       
CONECT   10    9                                                      
CONECT   11   12    9    9   41                                       
CONECT   12   13   13   11   42                                       
CONECT   13   12   12   14   43                                       
CONECT   14   13   15    8    8                                       
CONECT   15   14   16   44   45                                       
CONECT   16   15    4    4    2                                       
CONECT   17    3    3                                                 
CONECT   18    5    7    7    6                                       
CONECT   19    4    1   20                                            
CONECT   20   19   21   22   46                                       
CONECT   21   20   26                                                 
CONECT   22   20   24   23   47                                       
CONECT   23   22   48                                                 
CONECT   24   26   22   25   49                                       
CONECT   25   24   50                                                 
CONECT   26   27   21   24   51                                       
CONECT   27   28   26   52   53                                       
CONECT   28   29   27   54                                            
CONECT   29   30   34   34   28                                       
CONECT   30   32   31   31   29                                       
CONECT   31   30   30                                                 
CONECT   32   33   33   30   34                                       
CONECT   33   32   32                                                 
CONECT   34   32   35   29   29                                       
CONECT   35   34   55                                                 
CONECT   36    4                                                      
CONECT   37    5                                                      
CONECT   38    6                                                      
CONECT   39    6                                                      
CONECT   40    8                                                      
CONECT   41   11                                                      
CONECT   42   12                                                      
CONECT   43   13                                                      
CONECT   44   15                                                      
CONECT   45   15                                                      
CONECT   46   20                                                      
CONECT   47   22                                                      
CONECT   48   23                                                      
CONECT   49   24                                                      
CONECT   50   25                                                      
CONECT   51   26                                                      
CONECT   52   27                                                      
CONECT   53   27                                                      
CONECT   54   28                                                      
CONECT   55   35                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
