COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.968   0.670  -0.491  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.033  -0.835  -0.820  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.602  -0.654   0.019  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.118  -1.302   0.282  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.677   1.565  -0.349  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.329   1.794   0.446  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.221   1.335  -0.272  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.110  -2.209   0.006  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.282  -0.821   1.567  1.00  0.00           C  
HETATM   10  C   UNL     1       0.333   0.175  -0.819  1.00  0.00           C  
HETATM   11  C   UNL     1       0.605   2.280   0.343  1.00  0.00           C  
HETATM   12  C   UNL     1       2.514   0.903  -0.127  1.00  0.00           C  
HETATM   13  C   UNL     1       0.729  -2.638   1.019  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.443  -1.250   2.578  1.00  0.00           C  
HETATM   15  C   UNL     1       1.691  -0.039  -0.746  1.00  0.00           C  
HETATM   16  C   UNL     1       1.962   2.065   0.414  1.00  0.00           C  
HETATM   17  C   UNL     1       3.976   0.672  -0.049  1.00  0.00           C  
HETATM   18  C   UNL     1       0.561  -2.161   2.305  1.00  0.00           C  
HETATM   19  C   UNL     1       4.641  -0.316   0.623  1.00  0.00           C  
HETATM   20  C   UNL     1       5.019   1.422  -0.662  1.00  0.00           C  
HETATM   21  C   UNL     1       4.029  -1.415   1.454  1.00  0.00           C  
HETATM   22  C   UNL     1       4.865   2.637  -1.539  1.00  0.00           C  
HETATM   23  N   UNL     1      -2.514   0.527  -0.542  1.00  0.00           N  
HETATM   24  N   UNL     1       6.133   0.848  -0.314  1.00  0.00           N  
HETATM   25  O   UNL     1      -3.702   1.956   1.466  1.00  0.00           O  
HETATM   26  O   UNL     1      -2.122   2.692  -0.238  1.00  0.00           O  
HETATM   27  O   UNL     1      -5.348   2.615   0.147  1.00  0.00           O  
HETATM   28  O   UNL     1       5.945  -0.112   0.395  1.00  0.00           O  
HETATM   29  S   UNL     1      -3.547  -1.871  -0.875  1.00  0.00           S  
HETATM   30 CL   UNL     1       0.100  -2.808  -1.609  1.00  0.00          Cl  
HETATM   31  H   UNL     1      -4.346   0.894  -1.488  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.516  -0.865  -1.780  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.496  -0.754   1.099  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.646  -0.735  -0.283  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.066  -0.110   1.782  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.303  -0.554  -1.298  1.00  0.00           H  
HETATM   37  H   UNL     1       0.178   3.180   0.762  1.00  0.00           H  
HETATM   38  H   UNL     1       1.516  -3.346   0.804  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.571  -0.873   3.582  1.00  0.00           H  
HETATM   40  H   UNL     1       2.119  -0.936  -1.169  1.00  0.00           H  
HETATM   41  H   UNL     1       2.600   2.795   0.889  1.00  0.00           H  
HETATM   42  H   UNL     1       1.216  -2.496   3.095  1.00  0.00           H  
HETATM   43  H   UNL     1       3.830  -2.281   0.822  1.00  0.00           H  
HETATM   44  H   UNL     1       4.719  -1.696   2.250  1.00  0.00           H  
HETATM   45  H   UNL     1       3.095  -1.062   1.891  1.00  0.00           H  
HETATM   46  H   UNL     1       4.880   3.535  -0.922  1.00  0.00           H  
HETATM   47  H   UNL     1       5.685   2.675  -2.256  1.00  0.00           H  
HETATM   48  H   UNL     1       3.917   2.581  -2.075  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.542   3.321   0.779  1.00  0.00           H  
CONECT    1    6    3   23   31                                       
CONECT    2   23   29    4   32                                       
CONECT    3    1   29   33   34                                       
CONECT    4    2    8    8    9                                       
CONECT    5   26   26   23    7                                       
CONECT    6   25   25   27    1                                       
CONECT    7    5   11   11   10                                       
CONECT    8   30    4    4   13                                       
CONECT    9    4   14   14   35                                       
CONECT   10    7   15   15   36                                       
CONECT   11    7    7   16   37                                       
CONECT   12   16   16   15   17                                       
CONECT   13    8   18   18   38                                       
CONECT   14    9    9   18   39                                       
CONECT   15   10   10   12   40                                       
CONECT   16   11   12   12   41                                       
CONECT   17   12   20   19   19                                       
CONECT   18   13   13   14   42                                       
CONECT   19   17   17   21   28                                       
CONECT   20   22   17   24   24                                       
CONECT   21   19   43   44   45                                       
CONECT   22   20   46   47   48                                       
CONECT   23    1    5    2                                            
CONECT   24   20   20   28                                            
CONECT   25    6    6                                                 
CONECT   26    5    5                                                 
CONECT   27    6   49                                                 
CONECT   28   19   24                                                 
CONECT   29    3    2                                                 
CONECT   30    8                                                      
CONECT   31    1                                                      
CONECT   32    2                                                      
CONECT   33    3                                                      
CONECT   34    3                                                      
CONECT   35    9                                                      
CONECT   36   10                                                      
CONECT   37   11                                                      
CONECT   38   13                                                      
CONECT   39   14                                                      
CONECT   40   15                                                      
CONECT   41   16                                                      
CONECT   42   18                                                      
CONECT   43   21                                                      
CONECT   44   21                                                      
CONECT   45   21                                                      
CONECT   46   22                                                      
CONECT   47   22                                                      
CONECT   48   22                                                      
CONECT   49   27                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
