COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       4.091   0.706   1.513  1.00  0.00           O  
HETATM    2  C   UNL     1       4.987   0.954   0.729  1.00  0.00           C  
HETATM    3  N   UNL     1       5.679   2.102   0.855  1.00  0.00           N  
HETATM    4  C   UNL     1       6.675   2.392  -0.006  1.00  0.00           C  
HETATM    5  O   UNL     1       7.302   3.430   0.106  1.00  0.00           O  
HETATM    6  C   UNL     1       6.987   1.479  -1.042  1.00  0.00           C  
HETATM    7  C   UNL     1       8.096   1.779  -2.017  1.00  0.00           C  
HETATM    8  C   UNL     1       6.277   0.334  -1.144  1.00  0.00           C  
HETATM    9  N   UNL     1       5.277   0.075  -0.247  1.00  0.00           N  
HETATM   10  C   UNL     1       4.510  -1.169  -0.355  1.00  0.00           C  
HETATM   11  O   UNL     1       3.095  -0.884  -0.411  1.00  0.00           O  
HETATM   12  C   UNL     1       4.690  -2.023   0.919  1.00  0.00           C  
HETATM   13  C   UNL     1       3.300  -2.658   1.145  1.00  0.00           C  
HETATM   14  O   UNL     1       3.384  -4.083   1.079  1.00  0.00           O  
HETATM   15  C   UNL     1       2.444  -2.112  -0.019  1.00  0.00           C  
HETATM   16  C   UNL     1       1.017  -1.830   0.455  1.00  0.00           C  
HETATM   17  N   UNL     1       0.212  -1.355  -0.673  1.00  0.00           N  
HETATM   18  C   UNL     1      -1.086  -1.042  -0.490  1.00  0.00           C  
HETATM   19  S   UNL     1      -1.794  -1.200   1.061  1.00  0.00           S  
HETATM   20  N   UNL     1      -1.826  -0.605  -1.528  1.00  0.00           N  
HETATM   21  C   UNL     1      -3.195  -0.365  -1.359  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.646   0.333  -0.246  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.102  -0.819  -2.306  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.452  -0.580  -2.138  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.900   0.111  -1.026  1.00  0.00           C  
HETATM   26 CL   UNL     1      -7.598   0.410  -0.817  1.00  0.00          Cl  
HETATM   27  C   UNL     1      -4.997   0.569  -0.083  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.488   1.327   1.124  1.00  0.00           C  
HETATM   29  F   UNL     1      -6.362   0.518   1.858  1.00  0.00           F  
HETATM   30  F   UNL     1      -4.398   1.683   1.926  1.00  0.00           F  
HETATM   31  F   UNL     1      -6.159   2.482   0.709  1.00  0.00           F  
HETATM   32  H   UNL     1       5.460   2.723   1.567  1.00  0.00           H  
HETATM   33  H   UNL     1       8.546   2.741  -1.771  1.00  0.00           H  
HETATM   34  H   UNL     1       8.854   0.998  -1.957  1.00  0.00           H  
HETATM   35  H   UNL     1       7.691   1.815  -3.028  1.00  0.00           H  
HETATM   36  H   UNL     1       6.501  -0.375  -1.928  1.00  0.00           H  
HETATM   37  H   UNL     1       4.820  -1.729  -1.237  1.00  0.00           H  
HETATM   38  H   UNL     1       5.442  -2.797   0.757  1.00  0.00           H  
HETATM   39  H   UNL     1       4.965  -1.394   1.765  1.00  0.00           H  
HETATM   40  H   UNL     1       2.437  -2.819  -0.849  1.00  0.00           H  
HETATM   41  H   UNL     1       2.888  -2.345   2.104  1.00  0.00           H  
HETATM   42  H   UNL     1       3.958  -4.475   1.751  1.00  0.00           H  
HETATM   43  H   UNL     1       0.580  -2.745   0.854  1.00  0.00           H  
HETATM   44  H   UNL     1       1.037  -1.068   1.234  1.00  0.00           H  
HETATM   45  H   UNL     1       0.614  -1.265  -1.551  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.411  -0.457  -2.392  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.942   0.691   0.490  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.753  -1.358  -3.174  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.159  -0.933  -2.874  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    9                                       
CONECT    3    2    4   32                                            
CONECT    4    3    5    5    6                                       
CONECT    5    4    4                                                 
CONECT    6    4    7    8    8                                       
CONECT    7    6   33   34   35                                       
CONECT    8    6    6    9   36                                       
CONECT    9    2    8   10                                            
CONECT   10    9   11   12   37                                       
CONECT   11   10   15                                                 
CONECT   12   10   13   38   39                                       
CONECT   13   12   14   15   41                                       
CONECT   14   13   42                                                 
CONECT   15   11   13   16   40                                       
CONECT   16   15   17   43   44                                       
CONECT   17   16   18   45                                            
CONECT   18   17   19   19   20                                       
CONECT   19   18   18                                                 
CONECT   20   18   21   46                                            
CONECT   21   20   22   23   23                                       
CONECT   22   21   27   27   47                                       
CONECT   23   21   21   24   48                                       
CONECT   24   23   25   25   49                                       
CONECT   25   24   24   26   27                                       
CONECT   26   25                                                      
CONECT   27   22   22   25   28                                       
CONECT   28   27   30   31   29                                       
CONECT   29   28                                                      
CONECT   30   28                                                      
CONECT   31   28                                                      
CONECT   32    3                                                      
CONECT   33    7                                                      
CONECT   34    7                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37   10                                                      
CONECT   38   12                                                      
CONECT   39   12                                                      
CONECT   40   15                                                      
CONECT   41   13                                                      
CONECT   42   14                                                      
CONECT   43   16                                                      
CONECT   44   16                                                      
CONECT   45   17                                                      
CONECT   46   20                                                      
CONECT   47   22                                                      
CONECT   48   23                                                      
CONECT   49   24                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
