COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.788   3.587   0.193  1.00  0.00           C  
HETATM    2  N   UNL     1       2.625   2.804  -0.244  1.00  0.00           N  
HETATM    3  C   UNL     1       2.855   2.455  -1.652  1.00  0.00           C  
HETATM    4  C   UNL     1       2.656   1.545   0.513  1.00  0.00           C  
HETATM    5  C   UNL     1       3.937   0.806   0.208  1.00  0.00           C  
HETATM    6  O   UNL     1       4.789   1.296  -0.494  1.00  0.00           O  
HETATM    7  C   UNL     1       1.454   0.681   0.115  1.00  0.00           C  
HETATM    8  C   UNL     1       0.179   1.419   0.499  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.001   0.476   0.733  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.251   1.236   0.271  1.00  0.00           C  
HETATM   11  O   UNL     1      -1.994   1.814  -1.011  1.00  0.00           O  
HETATM   12  C   UNL     1      -3.456   0.350   0.170  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.709   0.953   0.124  1.00  0.00           C  
HETATM   14 CL   UNL     1      -4.834   2.682   0.205  1.00  0.00          Cl  
HETATM   15  C   UNL     1      -5.854   0.189   0.015  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.758  -1.188  -0.051  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.513  -1.792   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1      -4.417  -3.146  -0.066  1.00  0.00           O  
HETATM   19  C   UNL     1      -3.358  -1.020   0.119  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.041  -1.731   0.208  1.00  0.00           C  
HETATM   21  O   UNL     1      -2.031  -2.808  -0.731  1.00  0.00           O  
HETATM   22  C   UNL     1      -0.857  -0.802  -0.089  1.00  0.00           C  
HETATM   23  C   UNL     1       0.401  -1.575   0.307  1.00  0.00           C  
HETATM   24  O   UNL     1       0.882  -2.289  -0.834  1.00  0.00           O  
HETATM   25  C   UNL     1       1.510  -0.669   0.823  1.00  0.00           C  
HETATM   26  C   UNL     1       2.838  -1.340   0.545  1.00  0.00           C  
HETATM   27  O   UNL     1       2.879  -2.468   0.117  1.00  0.00           O  
HETATM   28  C   UNL     1       4.115  -0.572   0.813  1.00  0.00           C  
HETATM   29  C   UNL     1       5.281  -1.272   0.165  1.00  0.00           C  
HETATM   30  O   UNL     1       5.104  -2.298  -0.457  1.00  0.00           O  
HETATM   31  N   UNL     1       6.522  -0.759   0.278  1.00  0.00           N  
HETATM   32  H   UNL     1       3.664   3.871   1.238  1.00  0.00           H  
HETATM   33  H   UNL     1       4.692   2.987   0.084  1.00  0.00           H  
HETATM   34  H   UNL     1       3.872   4.485  -0.420  1.00  0.00           H  
HETATM   35  H   UNL     1       3.860   2.048  -1.766  1.00  0.00           H  
HETATM   36  H   UNL     1       2.124   1.710  -1.966  1.00  0.00           H  
HETATM   37  H   UNL     1       2.752   3.348  -2.269  1.00  0.00           H  
HETATM   38  H   UNL     1       2.608   1.762   1.580  1.00  0.00           H  
HETATM   39  H   UNL     1       1.467   0.518  -0.963  1.00  0.00           H  
HETATM   40  H   UNL     1       0.362   1.986   1.411  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.079   2.114  -0.300  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.082   0.238   1.793  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.461   2.035   0.982  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.797   2.284  -1.272  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.822   0.666  -0.018  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.650  -1.790  -0.143  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.256  -3.370  -0.992  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.926  -2.138   1.213  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.235  -2.427  -1.596  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.838  -0.557  -1.151  1.00  0.00           H  
HETATM   51  H   UNL     1       0.143  -2.292   1.087  1.00  0.00           H  
HETATM   52  H   UNL     1       1.153  -1.626  -1.484  1.00  0.00           H  
HETATM   53  H   UNL     1       1.391  -0.522   1.896  1.00  0.00           H  
HETATM   54  H   UNL     1       4.281  -0.490   1.887  1.00  0.00           H  
HETATM   55  H   UNL     1       6.664   0.062   0.775  1.00  0.00           H  
HETATM   56  H   UNL     1       7.273  -1.209  -0.139  1.00  0.00           H  
CONECT    1    2   32   33   34                                       
CONECT    2    1    3    4                                            
CONECT    3    2   35   36   37                                       
CONECT    4    2    5    7   38                                       
CONECT    5    4    6    6   28                                       
CONECT    6    5    5                                                 
CONECT    7    4    8   25   39                                       
CONECT    8    7    9   40   41                                       
CONECT    9    8   10   22   42                                       
CONECT   10    9   11   12   43                                       
CONECT   11   10   44                                                 
CONECT   12   10   13   13   19                                       
CONECT   13   12   12   14   15                                       
CONECT   14   13                                                      
CONECT   15   13   16   16   45                                       
CONECT   16   15   15   17   46                                       
CONECT   17   16   18   19   19                                       
CONECT   18   17   47                                                 
CONECT   19   12   17   17   20                                       
CONECT   20   19   21   22   48                                       
CONECT   21   20   49                                                 
CONECT   22    9   20   23   50                                       
CONECT   23   22   24   25   51                                       
CONECT   24   23   52                                                 
CONECT   25    7   23   26   53                                       
CONECT   26   25   27   27   28                                       
CONECT   27   26   26                                                 
CONECT   28    5   26   29   54                                       
CONECT   29   28   30   30   31                                       
CONECT   30   29   29                                                 
CONECT   31   29   55   56                                            
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    1                                                      
CONECT   35    3                                                      
CONECT   36    3                                                      
CONECT   37    3                                                      
CONECT   38    4                                                      
CONECT   39    7                                                      
CONECT   40    8                                                      
CONECT   41    8                                                      
CONECT   42    9                                                      
CONECT   43   10                                                      
CONECT   44   11                                                      
CONECT   45   15                                                      
CONECT   46   16                                                      
CONECT   47   18                                                      
CONECT   48   20                                                      
CONECT   49   21                                                      
CONECT   50   22                                                      
CONECT   51   23                                                      
CONECT   52   24                                                      
CONECT   53   25                                                      
CONECT   54   28                                                      
CONECT   55   31                                                      
CONECT   56   31                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
