COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.220   1.382   0.522  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.985  -0.009   0.395  1.00  0.00           C  
HETATM    3  N   UNL     1      -5.923  -1.695  -2.546  1.00  0.00           N  
HETATM    4  N   UNL     1      -2.421   1.898   0.199  1.00  0.00           N  
HETATM    5  C   UNL     1       1.681  -1.998   2.148  1.00  0.00           C  
HETATM    6  C   UNL     1       2.804  -1.653   1.416  1.00  0.00           C  
HETATM    7  C   UNL     1       2.699  -0.771   0.350  1.00  0.00           C  
HETATM    8  C   UNL     1       5.042  -1.027   0.036  1.00  0.00           C  
HETATM    9  C   UNL     1       6.147  -0.541  -0.866  1.00  0.00           C  
HETATM   10  C   UNL     1       6.865   0.555  -0.604  1.00  0.00           C  
HETATM   11  C   UNL     1       6.699   1.459   0.591  1.00  0.00           C  
HETATM   12  C   UNL     1       7.455  -0.657  -2.662  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.002  -0.827  -0.064  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.246  -0.251  -0.393  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.889  -2.197  -0.065  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.903  -0.893  -2.117  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.398  -2.691  -1.779  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.425   1.106  -0.258  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.370   4.141  -0.719  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.601   5.495  -0.534  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.086   5.937   0.682  1.00  0.00           C  
HETATM   22  C   UNL     1       1.467  -0.234   0.014  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.354  -1.105  -0.888  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.638   3.274   0.337  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.123   3.795   1.530  1.00  0.00           C  
HETATM   26  C   UNL     1       0.335  -0.581   0.749  1.00  0.00           C  
HETATM   27  C   UNL     1       0.449  -1.467   1.820  1.00  0.00           C  
HETATM   28  N   UNL     1       6.489  -1.166  -1.975  1.00  0.00           N  
HETATM   29  N   UNL     1      -5.898  -2.946  -0.558  1.00  0.00           N  
HETATM   30  N   UNL     1      -3.329   5.090   1.663  1.00  0.00           N  
HETATM   31  O   UNL     1      -0.334   2.113   0.931  1.00  0.00           O  
HETATM   32  O   UNL     1       3.804  -0.435  -0.366  1.00  0.00           O  
HETATM   33  O   UNL     1      -4.430  -2.424   1.040  1.00  0.00           O  
HETATM   34  O   UNL     1      -7.307  -3.379  -2.201  1.00  0.00           O  
HETATM   35  S   UNL     1       8.039   0.758  -1.901  1.00  0.00           S  
HETATM   36 CL   UNL     1       1.821  -3.107   3.476  1.00  0.00          Cl  
HETATM   37  H   UNL     1       3.766  -2.070   1.677  1.00  0.00           H  
HETATM   38  H   UNL     1       4.965  -2.112  -0.035  1.00  0.00           H  
HETATM   39  H   UNL     1       5.262  -0.745   1.065  1.00  0.00           H  
HETATM   40  H   UNL     1       7.336   1.108   1.403  1.00  0.00           H  
HETATM   41  H   UNL     1       6.982   2.475   0.320  1.00  0.00           H  
HETATM   42  H   UNL     1       5.658   1.446   0.915  1.00  0.00           H  
HETATM   43  H   UNL     1       7.836  -1.064  -3.587  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.847  -1.891  -0.165  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.533  -0.098  -2.748  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.379   1.545  -0.510  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.995   3.767  -1.661  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.404   6.196  -1.332  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.268   6.991   0.831  1.00  0.00           H  
HETATM   50  H   UNL     1       1.384   0.453  -0.816  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.335   3.132   2.356  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.426  -1.738   2.392  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.263  -3.672  -0.028  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.314  -1.540  -3.420  1.00  0.00           H  
CONECT    1    2    4   31   31                                       
CONECT    2   26   13   13    1                                       
CONECT    3   16   17   54                                            
CONECT    4   18    1   24                                            
CONECT    5    6   36   27   27                                       
CONECT    6    7    7    5   37                                       
CONECT    7   32    6    6   22                                       
CONECT    8    9   32   38   39                                       
CONECT    9   28   10   10    8                                       
CONECT   10   35    9    9   11                                       
CONECT   11   10   40   41   42                                       
CONECT   12   28   28   35   43                                       
CONECT   13   14    2    2   44                                       
CONECT   14   23   13   18   18                                       
CONECT   15   23   29   33   33                                       
CONECT   16    3   23   23   45                                       
CONECT   17    3   34   34   29                                       
CONECT   18   14   14    4   46                                       
CONECT   19   24   24   20   47                                       
CONECT   20   19   21   21   48                                       
CONECT   21   20   20   30   49                                       
CONECT   22    7   26   26   50                                       
CONECT   23   16   16   14   15                                       
CONECT   24    4   19   19   25                                       
CONECT   25   24   30   30   51                                       
CONECT   26   22   22   27    2                                       
CONECT   27    5    5   26   52                                       
CONECT   28   12   12    9                                            
CONECT   29   17   15   53                                            
CONECT   30   25   25   21                                            
CONECT   31    1    1                                                 
CONECT   32    7    8                                                 
CONECT   33   15   15                                                 
CONECT   34   17   17                                                 
CONECT   35   12   10                                                 
CONECT   36    5                                                      
CONECT   37    6                                                      
CONECT   38    8                                                      
CONECT   39    8                                                      
CONECT   40   11                                                      
CONECT   41   11                                                      
CONECT   42   11                                                      
CONECT   43   12                                                      
CONECT   44   13                                                      
CONECT   45   16                                                      
CONECT   46   18                                                      
CONECT   47   19                                                      
CONECT   48   20                                                      
CONECT   49   21                                                      
CONECT   50   22                                                      
CONECT   51   25                                                      
CONECT   52   27                                                      
CONECT   53   29                                                      
CONECT   54    3                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
