COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.643  -5.551  16.391  1.00  0.00           C  
HETATM    2  O   UNL     1       2.631  -4.549  16.461  1.00  0.00           O  
HETATM    3  C   UNL     1       1.642  -4.603  15.522  1.00  0.00           C  
HETATM    4  C   UNL     1       0.490  -5.350  15.797  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.524  -5.400  14.826  1.00  0.00           C  
HETATM    6  N   UNL     1      -1.736  -6.051  14.846  1.00  0.00           N  
HETATM    7  C   UNL     1      -2.295  -5.768  13.690  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.500  -4.964  12.922  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.813  -4.499  11.662  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.429  -3.335  11.058  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.969  -3.226   9.744  1.00  0.00           C  
HETATM   12  O   UNL     1      -1.765  -2.191   8.909  1.00  0.00           O  
HETATM   13  C   UNL     1      -1.551  -0.898   9.492  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.126   0.160   8.561  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.069  -0.719   9.722  1.00  0.00           C  
HETATM   16  C   UNL     1       0.802  -1.325   8.828  1.00  0.00           C  
HETATM   17  C   UNL     1       2.178  -1.182   9.008  1.00  0.00           C  
HETATM   18  C   UNL     1       2.667  -0.435  10.080  1.00  0.00           C  
HETATM   19  C   UNL     1       1.781   0.168  10.972  1.00  0.00           C  
HETATM   20  C   UNL     1       0.405   0.025  10.792  1.00  0.00           C  
HETATM   21 CL   UNL     1      -0.661   0.788  11.915  1.00  0.00          Cl  
HETATM   22  C   UNL     1      -2.741  -4.316   9.409  1.00  0.00           C  
HETATM   23  S   UNL     1      -2.813  -5.466  10.677  1.00  0.00           S  
HETATM   24  C   UNL     1      -3.448  -4.584   8.198  1.00  0.00           C  
HETATM   25  O   UNL     1      -4.135  -5.625   8.033  1.00  0.00           O  
HETATM   26  N   UNL     1      -3.388  -3.640   7.160  1.00  0.00           N  
HETATM   27  C   UNL     1      -0.352  -4.711  13.629  1.00  0.00           C  
HETATM   28  C   UNL     1       0.787  -3.961  13.334  1.00  0.00           C  
HETATM   29  C   UNL     1       1.786  -3.922  14.312  1.00  0.00           C  
HETATM   30  O   UNL     1       2.917  -3.198  14.066  1.00  0.00           O  
HETATM   31  C   UNL     1       2.906  -1.829  14.463  1.00  0.00           C  
HETATM   32  H   UNL     1       3.932  -5.849  17.402  1.00  0.00           H  
HETATM   33  H   UNL     1       4.510  -5.157  15.855  1.00  0.00           H  
HETATM   34  H   UNL     1       3.249  -6.418  15.857  1.00  0.00           H  
HETATM   35  H   UNL     1       0.381  -5.878  16.740  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.265  -6.118  13.363  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.793  -2.591  11.522  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.102  -0.874  10.439  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.512  -0.285   7.639  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.377   0.914   8.294  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.942   0.698   9.057  1.00  0.00           H  
HETATM   42  H   UNL     1       0.432  -1.909   7.990  1.00  0.00           H  
HETATM   43  H   UNL     1       2.869  -1.653   8.314  1.00  0.00           H  
HETATM   44  H   UNL     1       3.739  -0.324  10.220  1.00  0.00           H  
HETATM   45  H   UNL     1       2.178   0.747  11.802  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.845  -2.795   7.299  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.868  -3.773   6.275  1.00  0.00           H  
HETATM   48  H   UNL     1       0.896  -3.431  12.393  1.00  0.00           H  
HETATM   49  H   UNL     1       1.958  -1.372  14.172  1.00  0.00           H  
HETATM   50  H   UNL     1       3.738  -1.304  13.986  1.00  0.00           H  
HETATM   51  H   UNL     1       3.017  -1.773  15.548  1.00  0.00           H  
CONECT    1    2   32   33   34                                       
CONECT    2    1    3                                                 
CONECT    3    2    4   29   29                                       
CONECT    4    3    5    5   35                                       
CONECT    5    4    4    6   27                                       
CONECT    6    5    7    7                                            
CONECT    7    6    6    8   36                                       
CONECT    8    7   27    9                                            
CONECT    9    8   23   10   10                                       
CONECT   10    9    9   11   37                                       
CONECT   11   10   22   22   12                                       
CONECT   12   11   13                                                 
CONECT   13   12   15   14   38                                       
CONECT   14   13   39   40   41                                       
CONECT   15   13   16   16   20                                       
CONECT   16   15   15   17   42                                       
CONECT   17   16   18   18   43                                       
CONECT   18   17   17   19   44                                       
CONECT   19   18   20   20   45                                       
CONECT   20   15   19   19   21                                       
CONECT   21   20                                                      
CONECT   22   11   11   23   24                                       
CONECT   23    9   22                                                 
CONECT   24   22   25   25   26                                       
CONECT   25   24   24                                                 
CONECT   26   24   46   47                                            
CONECT   27    5    8   28   28                                       
CONECT   28   27   27   29   48                                       
CONECT   29    3    3   28   30                                       
CONECT   30   29   31                                                 
CONECT   31   30   49   50   51                                       
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    1                                                      
CONECT   35    4                                                      
CONECT   36    7                                                      
CONECT   37   10                                                      
CONECT   38   13                                                      
CONECT   39   14                                                      
CONECT   40   14                                                      
CONECT   41   14                                                      
CONECT   42   16                                                      
CONECT   43   17                                                      
CONECT   44   18                                                      
CONECT   45   19                                                      
CONECT   46   26                                                      
CONECT   47   26                                                      
CONECT   48   28                                                      
CONECT   49   31                                                      
CONECT   50   31                                                      
CONECT   51   31                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
