COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.385  -0.666   0.531  1.00  0.00           C  
HETATM    2  C   UNL     1       7.960  -0.526  -0.720  1.00  0.00           C  
HETATM    3  C   UNL     1       7.400   0.338  -1.645  1.00  0.00           C  
HETATM    4  C   UNL     1       6.268   1.061  -1.319  1.00  0.00           C  
HETATM    5  C   UNL     1       5.694   0.920  -0.068  1.00  0.00           C  
HETATM    6  C   UNL     1       6.249   0.054   0.854  1.00  0.00           C  
HETATM    7  C   UNL     1       4.460   1.709   0.286  1.00  0.00           C  
HETATM    8  C   UNL     1       3.214   0.906  -0.094  1.00  0.00           C  
HETATM    9  N   UNL     1       2.011   1.674   0.252  1.00  0.00           N  
HETATM   10  C   UNL     1       0.793   0.932  -0.100  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.436   1.763   0.274  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.704   0.990  -0.092  1.00  0.00           C  
HETATM   13  O   UNL     1      -2.849   1.811   0.149  1.00  0.00           O  
HETATM   14  C   UNL     1      -4.066   1.270  -0.127  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.218   2.013   0.084  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.455   1.465  -0.196  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.544   0.170  -0.689  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.390  -0.573  -0.900  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.154  -0.021  -0.624  1.00  0.00           C  
HETATM   20  N   UNL     1      -7.796  -0.387  -0.973  1.00  0.00           N  
HETATM   21  S   UNL     1      -8.452  -1.514   0.048  1.00  0.00           S  
HETATM   22  C   UNL     1      -8.716  -0.618   1.603  1.00  0.00           C  
HETATM   23  O   UNL     1      -9.695  -1.849  -0.552  1.00  0.00           O  
HETATM   24  O   UNL     1      -7.426  -2.486   0.201  1.00  0.00           O  
HETATM   25  O   UNL     1      -0.426   2.023   1.679  1.00  0.00           O  
HETATM   26 CL   UNL     1       9.382  -1.433  -1.130  1.00  0.00          Cl  
HETATM   27 CL   UNL     1       8.086  -1.750   1.692  1.00  0.00          Cl  
HETATM   28  H   UNL     1       7.848   0.449  -2.621  1.00  0.00           H  
HETATM   29  H   UNL     1       5.832   1.735  -2.040  1.00  0.00           H  
HETATM   30  H   UNL     1       5.800  -0.055   1.831  1.00  0.00           H  
HETATM   31  H   UNL     1       4.451   1.908   1.358  1.00  0.00           H  
HETATM   32  H   UNL     1       4.463   2.653  -0.258  1.00  0.00           H  
HETATM   33  H   UNL     1       3.223   0.707  -1.166  1.00  0.00           H  
HETATM   34  H   UNL     1       3.211  -0.039   0.451  1.00  0.00           H  
HETATM   35  H   UNL     1       2.022   2.581  -0.190  1.00  0.00           H  
HETATM   36  H   UNL     1       0.785   0.734  -1.172  1.00  0.00           H  
HETATM   37  H   UNL     1       0.773  -0.012   0.445  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.416   2.707  -0.270  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.671   0.714  -1.146  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.769   0.089   0.517  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.149   3.020   0.468  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.352   2.043  -0.031  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.458  -1.579  -1.287  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.256  -0.599  -0.788  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.280  -0.112  -1.767  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.778  -0.167   1.926  1.00  0.00           H  
HETATM   47  H   UNL     1      -9.461   0.163   1.450  1.00  0.00           H  
HETATM   48  H   UNL     1      -9.068  -1.311   2.366  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.442   1.226   2.227  1.00  0.00           H  
CONECT    1    2    2    6   27                                       
CONECT    2    3   26    1    1                                       
CONECT    3    4    4    2   28                                       
CONECT    4    3    3    5   29                                       
CONECT    5    4    7    6    6                                       
CONECT    6    5    5    1   30                                       
CONECT    7    8    5   31   32                                       
CONECT    8    9    7   33   34                                       
CONECT    9   10    8   35                                            
CONECT   10    9   11   36   37                                       
CONECT   11   10   12   25   38                                       
CONECT   12   11   13   39   40                                       
CONECT   13   12   14                                                 
CONECT   14   19   13   15   15                                       
CONECT   15   14   14   16   41                                       
CONECT   16   17   17   15   42                                       
CONECT   17   18   20   16   16                                       
CONECT   18   19   19   17   43                                       
CONECT   19   18   18   14   44                                       
CONECT   20   21   17   45                                            
CONECT   21   22   24   24   23                                       
CONECT   21   23   20                                                 
CONECT   22   21   46   47   48                                       
CONECT   23   21   21                                                 
CONECT   24   21   21                                                 
CONECT   25   11   49                                                 
CONECT   26    2                                                      
CONECT   27    1                                                      
CONECT   28    3                                                      
CONECT   29    4                                                      
CONECT   30    6                                                      
CONECT   31    7                                                      
CONECT   32    7                                                      
CONECT   33    8                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36   10                                                      
CONECT   37   10                                                      
CONECT   38   11                                                      
CONECT   39   12                                                      
CONECT   40   12                                                      
CONECT   41   15                                                      
CONECT   42   16                                                      
CONECT   43   18                                                      
CONECT   44   19                                                      
CONECT   45   20                                                      
CONECT   46   22                                                      
CONECT   47   22                                                      
CONECT   48   22                                                      
CONECT   49   25                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
