COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 CL   UNL     1      -9.770  -0.473  -0.173  1.00  0.00          Cl  
HETATM    2  C   UNL     1      -8.106   0.024  -0.179  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.459   0.288   1.015  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.135   0.684   1.010  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.457   0.815  -0.188  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.013   1.246  -0.193  1.00  0.00           C  
HETATM    7  O   UNL     1      -3.171   0.094  -0.118  1.00  0.00           O  
HETATM    8  C   UNL     1      -1.823   0.567  -0.126  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.312   0.757   1.318  1.00  0.00           C  
HETATM   10  N   UNL     1       0.111   0.333   1.271  1.00  0.00           N  
HETATM   11  C   UNL     1       0.109  -0.853   0.377  1.00  0.00           C  
HETATM   12  C   UNL     1       1.506  -1.088  -0.202  1.00  0.00           C  
HETATM   13  N   UNL     1       2.470  -1.231   0.892  1.00  0.00           N  
HETATM   14  S   UNL     1       3.970  -1.866   0.595  1.00  0.00           S  
HETATM   15  O   UNL     1       3.747  -3.042  -0.170  1.00  0.00           O  
HETATM   16  O   UNL     1       4.665  -1.810   1.834  1.00  0.00           O  
HETATM   17  C   UNL     1       4.812  -0.749  -0.477  1.00  0.00           C  
HETATM   18  C   UNL     1       5.169  -1.141  -1.732  1.00  0.00           C  
HETATM   19  C   UNL     1       5.835  -0.271  -2.593  1.00  0.00           C  
HETATM   20  C   UNL     1       6.149   0.997  -2.207  1.00  0.00           C  
HETATM   21  C   UNL     1       5.797   1.436  -0.921  1.00  0.00           C  
HETATM   22  C   UNL     1       6.096   2.731  -0.467  1.00  0.00           C  
HETATM   23  N   UNL     1       5.747   3.095   0.744  1.00  0.00           N  
HETATM   24  C   UNL     1       5.112   2.287   1.582  1.00  0.00           C  
HETATM   25  C   UNL     1       4.778   1.013   1.239  1.00  0.00           C  
HETATM   26  C   UNL     1       5.114   0.550  -0.047  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.103   0.550  -1.381  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.888  -0.492  -0.748  1.00  0.00           C  
HETATM   29  C   UNL     1      -7.426   0.149  -1.377  1.00  0.00           C  
HETATM   30  H   UNL     1      -7.989   0.186   1.951  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.629   0.890   1.942  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.800   1.793  -1.112  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.824   1.891   0.665  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.754   1.504  -0.679  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.387   1.803   1.613  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.874   0.126   2.006  1.00  0.00           H  
HETATM   37  H   UNL     1       0.345   0.000   2.194  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.231  -1.737   0.917  1.00  0.00           H  
HETATM   39  H   UNL     1       1.502  -1.996  -0.804  1.00  0.00           H  
HETATM   40  H   UNL     1       1.788  -0.239  -0.826  1.00  0.00           H  
HETATM   41  H   UNL     1       2.229  -0.955   1.790  1.00  0.00           H  
HETATM   42  H   UNL     1       4.932  -2.140  -2.065  1.00  0.00           H  
HETATM   43  H   UNL     1       6.106  -0.607  -3.583  1.00  0.00           H  
HETATM   44  H   UNL     1       6.667   1.660  -2.885  1.00  0.00           H  
HETATM   45  H   UNL     1       6.612   3.425  -1.114  1.00  0.00           H  
HETATM   46  H   UNL     1       4.853   2.650   2.566  1.00  0.00           H  
HETATM   47  H   UNL     1       4.261   0.371   1.937  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.573   0.653  -2.316  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.458  -1.371  -1.046  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.358  -0.075  -1.605  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.931  -0.058  -2.309  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    1    3    3   29                                       
CONECT    3    2    2    4   30                                       
CONECT    4    3    5    5   31                                       
CONECT    5    4    4    6   27                                       
CONECT    6    5    7   32   33                                       
CONECT    7    6    8                                                 
CONECT    8    7    9   28   34                                       
CONECT    9    8   10   35   36                                       
CONECT   10    9   11   37                                            
CONECT   11   10   12   28   38                                       
CONECT   12   11   13   39   40                                       
CONECT   13   12   14   41                                            
CONECT   14   13   15   15   16                                       
CONECT   14   16   17                                                 
CONECT   15   14   14                                                 
CONECT   16   14   14                                                 
CONECT   17   14   18   18   26                                       
CONECT   18   17   17   19   42                                       
CONECT   19   18   20   20   43                                       
CONECT   20   19   19   21   44                                       
CONECT   21   20   22   22   26                                       
CONECT   22   21   21   23   45                                       
CONECT   23   22   24   24                                            
CONECT   24   23   23   25   46                                       
CONECT   25   24   26   26   47                                       
CONECT   26   17   21   25   25                                       
CONECT   27    5   29   29   48                                       
CONECT   28    8   11   49   50                                       
CONECT   29    2   27   27   51                                       
CONECT   30    3                                                      
CONECT   31    4                                                      
CONECT   32    6                                                      
CONECT   33    6                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   11                                                      
CONECT   39   12                                                      
CONECT   40   12                                                      
CONECT   41   13                                                      
CONECT   42   18                                                      
CONECT   43   19                                                      
CONECT   44   20                                                      
CONECT   45   22                                                      
CONECT   46   24                                                      
CONECT   47   25                                                      
CONECT   48   27                                                      
CONECT   49   28                                                      
CONECT   50   28                                                      
CONECT   51   29                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
