COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 CL   UNL     1      -6.918  -2.918   0.635  1.00  0.00          Cl  
HETATM    2  C   UNL     1      -5.277  -2.358   0.555  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.932  -1.354  -0.334  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.317  -2.911   1.383  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.011  -2.465   1.321  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.662  -1.463   0.428  1.00  0.00           C  
HETATM    7  O   UNL     1      -1.377  -1.023   0.366  1.00  0.00           O  
HETATM    8  C   UNL     1      -0.438  -1.638   1.250  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.627  -0.907  -0.399  1.00  0.00           C  
HETATM   10  S   UNL     1      -3.189   0.371  -1.531  1.00  0.00           S  
HETATM   11  O   UNL     1      -2.029  -0.081  -2.216  1.00  0.00           O  
HETATM   12  O   UNL     1      -4.387   0.746  -2.195  1.00  0.00           O  
HETATM   13  N   UNL     1      -2.721   1.681  -0.633  1.00  0.00           N  
HETATM   14  C   UNL     1      -3.618   2.740  -0.163  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.719   3.715   0.615  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.335   3.112   0.522  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.415   1.936  -0.209  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.124   3.547   1.030  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.061   4.825   1.827  1.00  0.00           C  
HETATM   20  C   UNL     1       1.026   2.816   0.813  1.00  0.00           C  
HETATM   21  C   UNL     1       0.964   1.633   0.075  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.258   1.190  -0.426  1.00  0.00           C  
HETATM   23  C   UNL     1       2.191   0.844  -0.164  1.00  0.00           C  
HETATM   24  O   UNL     1       2.136  -0.186  -0.807  1.00  0.00           O  
HETATM   25  N   UNL     1       3.371   1.268   0.332  1.00  0.00           N  
HETATM   26  C   UNL     1       4.507   0.471   0.203  1.00  0.00           C  
HETATM   27  C   UNL     1       5.755   1.064   0.038  1.00  0.00           C  
HETATM   28  C   UNL     1       6.879   0.280  -0.090  1.00  0.00           C  
HETATM   29  C   UNL     1       4.391  -0.915   0.244  1.00  0.00           C  
HETATM   30  C   UNL     1       5.511  -1.705   0.117  1.00  0.00           C  
HETATM   31  C   UNL     1       6.766  -1.113  -0.054  1.00  0.00           C  
HETATM   32  C   UNL     1       7.968  -1.956  -0.192  1.00  0.00           C  
HETATM   33  O   UNL     1       7.868  -3.167  -0.156  1.00  0.00           O  
HETATM   34  O   UNL     1       9.177  -1.384  -0.357  1.00  0.00           O  
HETATM   35  H   UNL     1      -5.684  -0.921  -0.976  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.589  -3.691   2.079  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.261  -2.897   1.969  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.752  -1.479   2.282  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.392  -2.708   1.045  1.00  0.00           H  
HETATM   40  H   UNL     1       0.547  -1.196   1.098  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.082   3.247  -1.010  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.382   2.325   0.494  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.737   4.701   0.150  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.038   3.778   1.655  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.218   4.603   2.882  1.00  0.00           H  
HETATM   46  H   UNL     1       0.917   5.287   1.694  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.836   5.508   1.479  1.00  0.00           H  
HETATM   48  H   UNL     1       1.969   3.159   1.211  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.306   0.273  -0.995  1.00  0.00           H  
HETATM   50  H   UNL     1       3.429   2.127   0.778  1.00  0.00           H  
HETATM   51  H   UNL     1       5.842   2.140   0.011  1.00  0.00           H  
HETATM   52  H   UNL     1       7.848   0.740  -0.218  1.00  0.00           H  
HETATM   53  H   UNL     1       3.421  -1.372   0.377  1.00  0.00           H  
HETATM   54  H   UNL     1       5.420  -2.781   0.148  1.00  0.00           H  
HETATM   55  H   UNL     1       9.935  -1.978  -0.442  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    3    1    4    4                                       
CONECT    3    9    9    2   35                                       
CONECT    4    2    2    5   36                                       
CONECT    5    6    6    4   37                                       
CONECT    6    9    7    5    5                                       
CONECT    7    6    8                                                 
CONECT    8    7   38   39   40                                       
CONECT    9   10    3    3    6                                       
CONECT   10   12   12   11   11                                       
CONECT   10   13    9                                                 
CONECT   11   10   10                                                 
CONECT   12   10   10                                                 
CONECT   13   14   10   17                                            
CONECT   14   15   13   41   42                                       
CONECT   15   14   16   43   44                                       
CONECT   16   15   17   17   18                                       
CONECT   17   13   16   16   22                                       
CONECT   18   16   19   20   20                                       
CONECT   19   18   45   46   47                                       
CONECT   20   18   18   21   48                                       
CONECT   21   22   22   20   23                                       
CONECT   22   17   21   21   49                                       
CONECT   23   21   25   24   24                                       
CONECT   24   23   23                                                 
CONECT   25   23   26   50                                            
CONECT   26   29   25   27   27                                       
CONECT   27   26   26   28   51                                       
CONECT   28   31   31   27   52                                       
CONECT   29   30   30   26   53                                       
CONECT   30   29   29   31   54                                       
CONECT   31   30   32   28   28                                       
CONECT   32   31   33   33   34                                       
CONECT   33   32   32                                                 
CONECT   34   32   55                                                 
CONECT   35    3                                                      
CONECT   36    4                                                      
CONECT   37    5                                                      
CONECT   38    8                                                      
CONECT   39    8                                                      
CONECT   40    8                                                      
CONECT   41   14                                                      
CONECT   42   14                                                      
CONECT   43   15                                                      
CONECT   44   15                                                      
CONECT   45   19                                                      
CONECT   46   19                                                      
CONECT   47   19                                                      
CONECT   48   20                                                      
CONECT   49   22                                                      
CONECT   50   25                                                      
CONECT   51   27                                                      
CONECT   52   28                                                      
CONECT   53   29                                                      
CONECT   54   30                                                      
CONECT   55   34                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
