COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.814   1.596  -0.395  1.00  0.00           C  
HETATM    2 CL   UNL     1       2.730   2.849  -1.709  1.00  0.00          Cl  
HETATM    3  N   UNL     1       3.976   0.927   0.602  1.00  0.00           N  
HETATM    4  C   UNL     1       2.690   1.513   0.990  1.00  0.00           C  
HETATM    5  C   UNL     1       1.626   1.078   0.015  1.00  0.00           C  
HETATM    6  C   UNL     1       0.700   0.121   0.384  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.276  -0.279  -0.510  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.327   0.280  -1.773  1.00  0.00           C  
HETATM    9  C   UNL     1       0.599   1.238  -2.144  1.00  0.00           C  
HETATM   10  C   UNL     1       1.572   1.641  -1.247  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.285  -1.323  -0.107  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.320  -2.431  -1.161  1.00  0.00           C  
HETATM   13  C   UNL     1       0.007  -3.146  -1.184  1.00  0.00           C  
HETATM   14  O   UNL     1       0.890  -2.804  -0.434  1.00  0.00           O  
HETATM   15  O   UNL     1       0.207  -4.162  -2.038  1.00  0.00           O  
HETATM   16  C   UNL     1      -2.648  -0.690   0.002  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.287  -0.236  -1.144  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.533   0.345  -1.064  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.153   0.478   0.173  1.00  0.00           C  
HETATM   20  N   UNL     1      -6.357   0.997   0.587  1.00  0.00           N  
HETATM   21  C   UNL     1      -7.390   1.598  -0.259  1.00  0.00           C  
HETATM   22  N   UNL     1      -6.402   0.836   1.980  1.00  0.00           N  
HETATM   23  N   UNL     1      -5.319   0.269   2.381  1.00  0.00           N  
HETATM   24  C   UNL     1      -4.506   0.019   1.334  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.242  -0.574   1.224  1.00  0.00           C  
HETATM   26  S   UNL     1       4.481  -0.491   1.292  1.00  0.00           S  
HETATM   27  O   UNL     1       3.278  -1.144   1.673  1.00  0.00           O  
HETATM   28  O   UNL     1       5.349  -1.062   0.323  1.00  0.00           O  
HETATM   29  C   UNL     1       5.416   0.026   2.758  1.00  0.00           C  
HETATM   30  H   UNL     1      -1.003  -1.748   0.857  1.00  0.00           H  
HETATM   31  H   UNL     1       4.556   1.232  -1.390  1.00  0.00           H  
HETATM   32  H   UNL     1       4.648   2.672  -0.347  1.00  0.00           H  
HETATM   33  H   UNL     1       5.863   1.381  -0.191  1.00  0.00           H  
HETATM   34  H   UNL     1       2.424   1.176   1.992  1.00  0.00           H  
HETATM   35  H   UNL     1       2.768   2.600   0.981  1.00  0.00           H  
HETATM   36  H   UNL     1       0.739  -0.316   1.371  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.089  -0.033  -2.472  1.00  0.00           H  
HETATM   38  H   UNL     1       0.559   1.674  -3.131  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.111  -3.141  -0.917  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.514  -1.995  -2.141  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.804  -0.339  -2.105  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.026   0.697  -1.959  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.931   2.354   0.309  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.923   2.062  -1.128  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.085   0.825  -0.589  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.736  -0.935   2.108  1.00  0.00           H  
HETATM   47  H   UNL     1       6.255   0.652   2.451  1.00  0.00           H  
HETATM   48  H   UNL     1       4.765   0.593   3.423  1.00  0.00           H  
HETATM   49  H   UNL     1       5.791  -0.854   3.279  1.00  0.00           H  
HETATM   50  H   UNL     1       1.074  -4.590  -2.015  1.00  0.00           H  
CONECT    1   33   31   32    3                                       
CONECT    2   10                                                      
CONECT    3    1    4   26                                            
CONECT    4    3   34    5   35                                       
CONECT    5    4    6    6   10                                       
CONECT    6    5    5    7   36                                       
CONECT    7    6   11    8    8                                       
CONECT    8    7    7   37    9                                       
CONECT    9    8   38   10   10                                       
CONECT   10    2    5    9    9                                       
CONECT   11    7   12   16   30                                       
CONECT   12   11   13   39   40                                       
CONECT   13   12   14   14   15                                       
CONECT   14   13   13                                                 
CONECT   15   13   50                                                 
CONECT   16   11   17   17   25                                       
CONECT   17   16   16   18   41                                       
CONECT   18   17   42   19   19                                       
CONECT   19   18   18   20   24                                       
CONECT   20   19   21   22                                            
CONECT   21   20   43   45   44                                       
CONECT   22   20   23   23                                            
CONECT   23   22   22   24                                            
CONECT   24   19   23   25   25                                       
CONECT   25   16   24   24   46                                       
CONECT   26    3   29   27   27                                       
CONECT   26   28   28                                                 
CONECT   27   26   26                                                 
CONECT   28   26   26                                                 
CONECT   29   26   47   49   48                                       
CONECT   30   11                                                      
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    4                                                      
CONECT   35    4                                                      
CONECT   36    6                                                      
CONECT   37    8                                                      
CONECT   38    9                                                      
CONECT   39   12                                                      
CONECT   40   12                                                      
CONECT   41   17                                                      
CONECT   42   18                                                      
CONECT   43   21                                                      
CONECT   44   21                                                      
CONECT   45   21                                                      
CONECT   46   25                                                      
CONECT   47   29                                                      
CONECT   48   29                                                      
CONECT   49   29                                                      
CONECT   50   15                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
