COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.153   1.465   0.613  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.909   0.377  -0.205  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.492  -0.017  -0.531  1.00  0.00           C  
HETATM    4  N   UNL     1       5.767   0.347   1.306  1.00  0.00           N  
HETATM    5  C   UNL     1      -1.072  -1.183   0.352  1.00  0.00           C  
HETATM    6  C   UNL     1       0.386  -1.593   0.082  1.00  0.00           C  
HETATM    7  C   UNL     1       0.819  -2.306   1.385  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.097  -1.772   2.501  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.059  -0.763   1.838  1.00  0.00           C  
HETATM   10  C   UNL     1       1.278  -0.395  -0.104  1.00  0.00           C  
HETATM   11  C   UNL     1       0.782   0.886  -0.276  1.00  0.00           C  
HETATM   12  C   UNL     1       1.651   1.959  -0.443  1.00  0.00           C  
HETATM   13  C   UNL     1       3.015   1.750  -0.439  1.00  0.00           C  
HETATM   14  O   UNL     1       5.832   1.286  -0.975  1.00  0.00           O  
HETATM   15  S   UNL     1       5.255   0.201  -0.261  1.00  0.00           S  
HETATM   16  O   UNL     1       5.451  -1.159  -0.623  1.00  0.00           O  
HETATM   17  C   UNL     1       3.513   0.471  -0.268  1.00  0.00           C  
HETATM   18  N   UNL     1      -0.597   1.120  -0.283  1.00  0.00           N  
HETATM   19  C   UNL     1       2.652  -0.594  -0.102  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.965  -0.352  -0.723  1.00  0.00           C  
HETATM   21 CL   UNL     1      -3.656  -1.719  -1.748  1.00  0.00          Cl  
HETATM   22  C   UNL     1      -4.451   1.825   0.917  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.512   1.094   0.403  1.00  0.00           C  
HETATM   24  O   UNL     1      -6.790   1.447   0.701  1.00  0.00           O  
HETATM   25  C   UNL     1      -5.267   0.008  -0.425  1.00  0.00           C  
HETATM   26  H   UNL     1      -2.327   2.032   1.017  1.00  0.00           H  
HETATM   27  H   UNL     1      -1.427  -0.312  -1.578  1.00  0.00           H  
HETATM   28  H   UNL     1       6.423   1.023   1.541  1.00  0.00           H  
HETATM   29  H   UNL     1       5.413  -0.243   1.990  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.737  -2.032   0.197  1.00  0.00           H  
HETATM   31  H   UNL     1       0.448  -2.260  -0.777  1.00  0.00           H  
HETATM   32  H   UNL     1       0.692  -3.384   1.281  1.00  0.00           H  
HETATM   33  H   UNL     1       1.859  -2.072   1.611  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.663  -2.592   2.944  1.00  0.00           H  
HETATM   35  H   UNL     1       0.499  -1.274   3.266  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.680   0.253   1.945  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.057  -0.848   2.267  1.00  0.00           H  
HETATM   38  H   UNL     1       1.257   2.956  -0.577  1.00  0.00           H  
HETATM   39  H   UNL     1       3.691   2.582  -0.570  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.953   2.009  -0.128  1.00  0.00           H  
HETATM   41  H   UNL     1       3.049  -1.590   0.031  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.640   2.675   1.556  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.180   2.076   0.079  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.091  -0.563  -0.827  1.00  0.00           H  
CONECT    1   22   22    2   26                                       
CONECT    2    1    3   20   20                                       
CONECT    3    2    5   18   27                                       
CONECT    4   15   28   29                                            
CONECT    5    3    6    9   30                                       
CONECT    6    5   10    7   31                                       
CONECT    7    6    8   32   33                                       
CONECT    8    7    9   34   35                                       
CONECT    9    5    8   36   37                                       
CONECT   10    6   11   11   19                                       
CONECT   11   18   10   10   12                                       
CONECT   12   11   13   13   38                                       
CONECT   13   12   12   17   39                                       
CONECT   14   15   15                                                 
CONECT   15   17    4   14   14                                       
CONECT   15   16   16                                                 
CONECT   16   15   15                                                 
CONECT   17   19   19   13   15                                       
CONECT   18    3   11   40                                            
CONECT   19   10   17   17   41                                       
CONECT   20    2    2   25   21                                       
CONECT   21   20                                                      
CONECT   22    1    1   23   42                                       
CONECT   23   22   24   25   25                                       
CONECT   24   23   43                                                 
CONECT   25   23   23   20   44                                       
CONECT   26    1                                                      
CONECT   27    3                                                      
CONECT   28    4                                                      
CONECT   29    4                                                      
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32    7                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37    9                                                      
CONECT   38   12                                                      
CONECT   39   13                                                      
CONECT   40   18                                                      
CONECT   41   19                                                      
CONECT   42   22                                                      
CONECT   43   24                                                      
CONECT   44   25                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
