COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.073   1.643   0.568  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.716   0.342   0.235  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.403   2.020   0.573  1.00  0.00           C  
HETATM    4  C   UNL     1       2.753   2.764   0.536  1.00  0.00           C  
HETATM    5  C   UNL     1       2.789   1.881  -1.801  1.00  0.00           C  
HETATM    6  C   UNL     1       4.466  -0.453  -0.197  1.00  0.00           C  
HETATM    7  C   UNL     1       4.282   0.909  -0.076  1.00  0.00           C  
HETATM    8  C   UNL     1       5.343   1.725   0.271  1.00  0.00           C  
HETATM    9  C   UNL     1       6.595   1.183   0.498  1.00  0.00           C  
HETATM   10  C   UNL     1       6.793  -0.177   0.380  1.00  0.00           C  
HETATM   11  C   UNL     1       5.725  -1.007   0.037  1.00  0.00           C  
HETATM   12  C   UNL     1       5.929  -2.466  -0.090  1.00  0.00           C  
HETATM   13  C   UNL     1       6.292  -3.284   1.122  1.00  0.00           C  
HETATM   14  C   UNL     1       5.793  -3.054  -1.271  1.00  0.00           C  
HETATM   15  C   UNL     1       2.921   1.509  -0.323  1.00  0.00           C  
HETATM   16  C   UNL     1       0.584   0.861  -0.087  1.00  0.00           C  
HETATM   17  O   UNL     1       0.268   1.965  -0.485  1.00  0.00           O  
HETATM   18  N   UNL     1      -0.368  -0.036   0.238  1.00  0.00           N  
HETATM   19  C   UNL     1      -2.694  -0.582  -0.099  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.036  -0.201  -0.100  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.084  -1.181  -0.455  1.00  0.00           C  
HETATM   22  O   UNL     1      -5.933  -0.892  -1.276  1.00  0.00           O  
HETATM   23  N   UNL     1      -5.100  -2.394   0.132  1.00  0.00           N  
HETATM   24  C   UNL     1      -6.058  -3.409  -0.310  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.157  -2.697   1.212  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.386   1.106   0.247  1.00  0.00           C  
HETATM   27 CL   UNL     1      -6.054   1.585   0.256  1.00  0.00          Cl  
HETATM   28  N   UNL     1       1.886   0.534   0.030  1.00  0.00           N  
HETATM   29  H   UNL     1      -1.309   2.360   0.828  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.674   3.033   0.832  1.00  0.00           H  
HETATM   31  H   UNL     1       3.523   3.489   0.274  1.00  0.00           H  
HETATM   32  H   UNL     1       1.770   3.197   0.358  1.00  0.00           H  
HETATM   33  H   UNL     1       2.848   2.498   1.589  1.00  0.00           H  
HETATM   34  H   UNL     1       2.908   0.987  -2.413  1.00  0.00           H  
HETATM   35  H   UNL     1       1.804   2.315  -1.979  1.00  0.00           H  
HETATM   36  H   UNL     1       3.558   2.607  -2.063  1.00  0.00           H  
HETATM   37  H   UNL     1       3.636  -1.090  -0.468  1.00  0.00           H  
HETATM   38  H   UNL     1       5.194   2.791   0.364  1.00  0.00           H  
HETATM   39  H   UNL     1       7.420   1.826   0.768  1.00  0.00           H  
HETATM   40  H   UNL     1       7.771  -0.600   0.557  1.00  0.00           H  
HETATM   41  H   UNL     1       5.382  -3.638   1.607  1.00  0.00           H  
HETATM   42  H   UNL     1       6.896  -4.138   0.816  1.00  0.00           H  
HETATM   43  H   UNL     1       6.859  -2.668   1.819  1.00  0.00           H  
HETATM   44  H   UNL     1       5.533  -2.467  -2.139  1.00  0.00           H  
HETATM   45  H   UNL     1       5.942  -4.119  -1.363  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.119  -0.944   0.473  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.417  -1.594  -0.358  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.616  -4.003  -1.110  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.312  -4.059   0.527  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.961  -2.921  -0.678  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.595  -1.799   1.467  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.707  -3.042   2.088  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.469  -3.477   0.885  1.00  0.00           H  
HETATM   54  H   UNL     1       2.138  -0.348   0.348  1.00  0.00           H  
CONECT    1    3    2    2   29                                       
CONECT    2    1    1   19   18                                       
CONECT    3   26   26    1   30                                       
CONECT    4   15   31   32   33                                       
CONECT    5   15   34   35   36                                       
CONECT    6   11   11    7   37                                       
CONECT    7    6   15    8    8                                       
CONECT    8    7    7    9   38                                       
CONECT    9   10   10    8   39                                       
CONECT   10   11    9    9   40                                       
CONECT   11   12    6    6   10                                       
CONECT   12   13   14   14   11                                       
CONECT   13   12   41   42   43                                       
CONECT   14   12   12   44   45                                       
CONECT   15   28    7    5    4                                       
CONECT   16   18   17   17   28                                       
CONECT   17   16   16                                                 
CONECT   18    2   16   46                                            
CONECT   19   20   20    2   47                                       
CONECT   20   26   21   19   19                                       
CONECT   21   23   20   22   22                                       
CONECT   22   21   21                                                 
CONECT   23   25   24   21                                            
CONECT   24   23   48   49   50                                       
CONECT   25   23   51   52   53                                       
CONECT   26   27    3    3   20                                       
CONECT   27   26                                                      
CONECT   28   16   15   54                                            
CONECT   29    1                                                      
CONECT   30    3                                                      
CONECT   31    4                                                      
CONECT   32    4                                                      
CONECT   33    4                                                      
CONECT   34    5                                                      
CONECT   35    5                                                      
CONECT   36    5                                                      
CONECT   37    6                                                      
CONECT   38    8                                                      
CONECT   39    9                                                      
CONECT   40   10                                                      
CONECT   41   13                                                      
CONECT   42   13                                                      
CONECT   43   13                                                      
CONECT   44   14                                                      
CONECT   45   14                                                      
CONECT   46   18                                                      
CONECT   47   19                                                      
CONECT   48   24                                                      
CONECT   49   24                                                      
CONECT   50   24                                                      
CONECT   51   25                                                      
CONECT   52   25                                                      
CONECT   53   25                                                      
CONECT   54   28                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
