COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -7.008  -0.468  -0.185  1.00  0.00           C  
HETATM    2  C   UNL     1       7.757  -3.001  -1.006  1.00  0.00           C  
HETATM    3  C   UNL     1       7.449  -1.655  -0.890  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.708  -0.648  -0.709  1.00  0.00           C  
HETATM    5  C   UNL     1       2.327   2.879   2.241  1.00  0.00           C  
HETATM    6  C   UNL     1       1.370   1.945   1.546  1.00  0.00           C  
HETATM    7  C   UNL     1       0.326   1.375   2.253  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.553   0.519   1.619  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.388   0.230   0.271  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.576  -0.656  -0.019  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.509  -1.669  -0.632  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.376  -2.008   1.515  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.341  -1.161   0.945  1.00  0.00           C  
HETATM   14  C   UNL     1       0.661   0.804  -0.436  1.00  0.00           C  
HETATM   15  C   UNL     1       1.534   1.664   0.202  1.00  0.00           C  
HETATM   16  C   UNL     1       4.604   0.396  -0.179  1.00  0.00           C  
HETATM   17  C   UNL     1       6.095   0.194   0.103  1.00  0.00           C  
HETATM   18  C   UNL     1       6.438  -1.267  -0.031  1.00  0.00           C  
HETATM   19  C   UNL     1       7.034  -3.911  -0.250  1.00  0.00           C  
HETATM   20  C   UNL     1       6.041  -3.449   0.592  1.00  0.00           C  
HETATM   21  N   UNL     1      -1.276  -0.637  -0.375  1.00  0.00           N  
HETATM   22  N   UNL     1      -4.856  -1.484  -0.086  1.00  0.00           N  
HETATM   23  N   UNL     1      -5.195  -2.123   0.975  1.00  0.00           N  
HETATM   24  N   UNL     1       4.270   1.816  -0.049  1.00  0.00           N  
HETATM   25  N   UNL     1       5.772  -2.160   0.673  1.00  0.00           N  
HETATM   26  O   UNL     1      -2.995   0.141   0.793  1.00  0.00           O  
HETATM   27  O   UNL     1      -5.361  -0.052  -1.717  1.00  0.00           O  
HETATM   28  O   UNL     1       2.783   1.883  -2.018  1.00  0.00           O  
HETATM   29  O   UNL     1       2.826   3.786  -0.398  1.00  0.00           O  
HETATM   30  S   UNL     1       2.861   2.397  -0.695  1.00  0.00           S  
HETATM   31 CL   UNL     1      -8.142   0.604  -0.946  1.00  0.00          Cl  
HETATM   32  H   UNL     1       8.539  -3.334  -1.673  1.00  0.00           H  
HETATM   33  H   UNL     1       7.992  -0.918  -1.464  1.00  0.00           H  
HETATM   34  H   UNL     1       2.005   3.909   2.089  1.00  0.00           H  
HETATM   35  H   UNL     1       2.342   2.656   3.308  1.00  0.00           H  
HETATM   36  H   UNL     1       3.328   2.747   1.828  1.00  0.00           H  
HETATM   37  H   UNL     1       0.199   1.600   3.301  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.367   0.074   2.171  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.534  -1.534  -1.713  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.158  -2.674  -0.399  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.614  -2.567   2.408  1.00  0.00           H  
HETATM   42  H   UNL     1      -8.321  -1.061   1.388  1.00  0.00           H  
HETATM   43  H   UNL     1       0.792   0.581  -1.485  1.00  0.00           H  
HETATM   44  H   UNL     1       4.377   0.060  -1.191  1.00  0.00           H  
HETATM   45  H   UNL     1       4.018  -0.183   0.535  1.00  0.00           H  
HETATM   46  H   UNL     1       6.681   0.772  -0.612  1.00  0.00           H  
HETATM   47  H   UNL     1       6.321   0.530   1.115  1.00  0.00           H  
HETATM   48  H   UNL     1       7.244  -4.969  -0.319  1.00  0.00           H  
HETATM   49  H   UNL     1       5.473  -4.151   1.184  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.956  -1.225  -1.077  1.00  0.00           H  
HETATM   51  H   UNL     1       4.874   2.416   0.416  1.00  0.00           H  
CONECT    1   31    4   13   13                                       
CONECT    2    3    3   19   32                                       
CONECT    3   18    2    2   33                                       
CONECT    4   27   27    1   22                                       
CONECT    5    6   34   35   36                                       
CONECT    6    5   15   15    7                                       
CONECT    7    6    8    8   37                                       
CONECT    8    7    7    9   38                                       
CONECT    9   14   14    8   21                                       
CONECT   10   21   26   26   11                                       
CONECT   11   10   22   39   40                                       
CONECT   12   13   23   23   41                                       
CONECT   13    1    1   12   42                                       
CONECT   14   15    9    9   43                                       
CONECT   15   30    6    6   14                                       
CONECT   16   24   17   44   45                                       
CONECT   17   16   18   46   47                                       
CONECT   18   17   25   25    3                                       
CONECT   19   20   20    2   48                                       
CONECT   20   25   19   19   49                                       
CONECT   21    9   10   50                                            
CONECT   22    4   11   23                                            
CONECT   23   22   12   12                                            
CONECT   24   30   16   51                                            
CONECT   25   18   18   20                                            
CONECT   26   10   10                                                 
CONECT   27    4    4                                                 
CONECT   28   30   30                                                 
CONECT   29   30   30                                                 
CONECT   30   28   28   24   29                                       
CONECT   30   29   15                                                 
CONECT   31    1                                                      
CONECT   32    2                                                      
CONECT   33    3                                                      
CONECT   34    5                                                      
CONECT   35    5                                                      
CONECT   36    5                                                      
CONECT   37    7                                                      
CONECT   38    8                                                      
CONECT   39   11                                                      
CONECT   40   11                                                      
CONECT   41   12                                                      
CONECT   42   13                                                      
CONECT   43   14                                                      
CONECT   44   16                                                      
CONECT   45   16                                                      
CONECT   46   17                                                      
CONECT   47   17                                                      
CONECT   48   19                                                      
CONECT   49   20                                                      
CONECT   50   21                                                      
CONECT   51   24                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
