COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.087   2.234  -0.168  1.00  0.00           C  
HETATM    2  C   UNL     1       6.897   0.035   0.327  1.00  0.00           C  
HETATM    3  C   UNL     1       2.745   0.149  -0.126  1.00  0.00           C  
HETATM    4  C   UNL     1       2.812   2.560  -0.577  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.609  -1.471  -0.173  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.446  -0.392  -0.464  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.808  -0.586  -0.562  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.345  -1.849  -0.385  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.517   2.510   1.125  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.536   1.904   2.131  1.00  0.00           C  
HETATM   11  C   UNL     1       4.916   1.252  -0.106  1.00  0.00           C  
HETATM   12  C   UNL     1       5.400   0.027   0.171  1.00  0.00           C  
HETATM   13  C   UNL     1       3.465   1.322  -0.274  1.00  0.00           C  
HETATM   14  S   UNL     1       3.970  -1.024   0.216  1.00  0.00           S  
HETATM   15  C   UNL     1       7.258   1.522   0.538  1.00  0.00           C  
HETATM   16  N   UNL     1       1.376  -0.040  -0.233  1.00  0.00           N  
HETATM   17  N   UNL     1       2.294   3.542  -0.818  1.00  0.00           N  
HETATM   18  C   UNL     1       0.850  -1.269  -0.060  1.00  0.00           C  
HETATM   19  O   UNL     1       1.577  -2.212   0.189  1.00  0.00           O  
HETATM   20  C   UNL     1      -1.157  -2.744   0.005  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.523  -2.925  -0.102  1.00  0.00           C  
HETATM   22 CL   UNL     1      -0.126  -4.094   0.359  1.00  0.00          Cl  
HETATM   23  S   UNL     1      -3.866   0.776  -0.921  1.00  0.00           S  
HETATM   24  N   UNL     1      -4.322   1.443   0.525  1.00  0.00           N  
HETATM   25  O   UNL     1      -5.047   0.212  -1.475  1.00  0.00           O  
HETATM   26  O   UNL     1      -3.044   1.748  -1.552  1.00  0.00           O  
HETATM   27  C   UNL     1      -5.530   0.967   1.203  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.515   2.127   1.365  1.00  0.00           C  
HETATM   29  H   UNL     1       5.834   3.155   0.357  1.00  0.00           H  
HETATM   30  H   UNL     1       6.345   2.448  -1.205  1.00  0.00           H  
HETATM   31  H   UNL     1       7.192  -0.554   1.195  1.00  0.00           H  
HETATM   32  H   UNL     1       7.375  -0.348  -0.574  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.029   0.594  -0.603  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.412  -1.996  -0.467  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.172   3.215   1.636  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.962   3.030   0.344  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.937   2.698   2.578  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.091   1.384   2.912  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.881   1.198   1.620  1.00  0.00           H  
HETATM   40  H   UNL     1       7.284   1.771   1.599  1.00  0.00           H  
HETATM   41  H   UNL     1       8.207   1.765   0.059  1.00  0.00           H  
HETATM   42  H   UNL     1       0.796   0.712  -0.431  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.949  -3.907   0.035  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.992   0.178   0.610  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.265   0.575   2.185  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.052   2.916   1.958  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.780   2.518   0.382  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.414   1.772   1.869  1.00  0.00           H  
CONECT    1   11   15   29   30                                       
CONECT    2   12   15   31   32                                       
CONECT    3   13   13   14   16                                       
CONECT    4   13   17   17   17                                       
CONECT    5    6    6   18   20                                       
CONECT    6    5    5    7   33                                       
CONECT    7    6    8    8   23                                       
CONECT    8    7    7   21   34                                       
CONECT    9   10   24   35   36                                       
CONECT   10    9   37   38   39                                       
CONECT   11    1   12   12   13                                       
CONECT   12    2   11   11   14                                       
CONECT   13    3    3    4   11                                       
CONECT   14    3   12                                                 
CONECT   15    1    2   40   41                                       
CONECT   16    3   18   42                                            
CONECT   17    4    4    4                                            
CONECT   18    5   16   19   19                                       
CONECT   19   18   18                                                 
CONECT   20    5   21   21   22                                       
CONECT   21    8   20   20   43                                       
CONECT   22   20                                                      
CONECT   23    7   24   25   25                                       
CONECT   23   26   26                                                 
CONECT   24    9   23   27                                            
CONECT   25   23   23                                                 
CONECT   26   23   23                                                 
CONECT   27   24   28   44   45                                       
CONECT   28   27   46   47   48                                       
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    2                                                      
CONECT   32    2                                                      
CONECT   33    6                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   10                                                      
CONECT   39   10                                                      
CONECT   40   15                                                      
CONECT   41   15                                                      
CONECT   42   16                                                      
CONECT   43   21                                                      
CONECT   44   27                                                      
CONECT   45   27                                                      
CONECT   46   28                                                      
CONECT   47   28                                                      
CONECT   48   28                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
