COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.865  -0.987   1.320  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.791  -2.367   1.364  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.710  -3.078   0.171  1.00  0.00           C  
HETATM    4  N   UNL     1      -4.634  -4.466   0.200  1.00  0.00           N  
HETATM    5  N   UNL     1      -4.705  -2.445  -0.992  1.00  0.00           N  
HETATM    6  C   UNL     1      -4.775  -1.130  -1.064  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.857  -0.361   0.080  1.00  0.00           C  
HETATM    8  S   UNL     1      -4.957   1.394  -0.033  1.00  0.00           S  
HETATM    9  O   UNL     1      -5.472   1.685  -1.325  1.00  0.00           O  
HETATM   10  O   UNL     1      -5.574   1.839   1.168  1.00  0.00           O  
HETATM   11  N   UNL     1      -3.407   1.976  -0.005  1.00  0.00           N  
HETATM   12  C   UNL     1      -2.649   2.164  -1.252  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.289   1.472  -1.104  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.488   0.017  -0.999  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.646  -1.143  -0.916  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.844  -2.598  -0.812  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.754   2.325   1.265  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.388   1.633   1.317  1.00  0.00           C  
HETATM   19  N   UNL     1      -0.623   1.964   0.109  1.00  0.00           N  
HETATM   20  C   UNL     1       0.686   1.485   0.198  1.00  0.00           C  
HETATM   21  C   UNL     1       1.492   1.853   1.268  1.00  0.00           C  
HETATM   22  C   UNL     1       2.785   1.377   1.352  1.00  0.00           C  
HETATM   23  C   UNL     1       1.183   0.633  -0.781  1.00  0.00           C  
HETATM   24  C   UNL     1       2.476   0.156  -0.687  1.00  0.00           C  
HETATM   25  C   UNL     1       3.279   0.534   0.373  1.00  0.00           C  
HETATM   26  C   UNL     1       4.689   0.012   0.473  1.00  0.00           C  
HETATM   27  C   UNL     1       4.667  -1.518   0.466  1.00  0.00           C  
HETATM   28  F   UNL     1       5.961  -2.004   0.685  1.00  0.00           F  
HETATM   29  F   UNL     1       3.819  -1.977   1.480  1.00  0.00           F  
HETATM   30  F   UNL     1       4.202  -1.973  -0.772  1.00  0.00           F  
HETATM   31  C   UNL     1       5.505   0.515  -0.720  1.00  0.00           C  
HETATM   32  F   UNL     1       5.524   1.914  -0.714  1.00  0.00           F  
HETATM   33  F   UNL     1       6.814   0.030  -0.628  1.00  0.00           F  
HETATM   34  F   UNL     1       4.922   0.062  -1.908  1.00  0.00           F  
HETATM   35  O   UNL     1       5.284   0.474   1.687  1.00  0.00           O  
HETATM   36  H   UNL     1      -4.933  -0.408   2.229  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.795  -2.885   2.311  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.638  -4.934   1.050  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.578  -4.966  -0.629  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.768  -0.647  -2.031  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.197   1.721  -2.084  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.503   3.229  -1.435  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.672   1.694  -1.974  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.877  -3.090  -0.706  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.461  -2.819   0.060  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.341  -2.962  -1.711  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.619   3.405   1.324  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.370   1.987   2.099  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.838   1.964   2.198  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.539   0.554   1.367  1.00  0.00           H  
HETATM   51  H   UNL     1       1.107   2.512   2.032  1.00  0.00           H  
HETATM   52  H   UNL     1       3.412   1.663   2.184  1.00  0.00           H  
HETATM   53  H   UNL     1       0.560   0.344  -1.614  1.00  0.00           H  
HETATM   54  H   UNL     1       2.864  -0.503  -1.449  1.00  0.00           H  
HETATM   55  H   UNL     1       4.818   0.192   2.486  1.00  0.00           H  
CONECT    1    2    2    7   36                                       
CONECT    2    1    1    3   37                                       
CONECT    3    2    4    5    5                                       
CONECT    4    3   38   39                                            
CONECT    5    3    3    6                                            
CONECT    6    7    7    5   40                                       
CONECT    7    1    8    6    6                                       
CONECT    8   11    9    9    7                                       
CONECT    8   10   10                                                 
CONECT    9    8    8                                                 
CONECT   10    8    8                                                 
CONECT   11   17   12    8                                            
CONECT   12   13   11   41   42                                       
CONECT   13   19   12   14   43                                       
CONECT   14   13   15   15   15                                       
CONECT   15   14   14   14   16                                       
CONECT   16   15   44   45   46                                       
CONECT   17   18   11   47   48                                       
CONECT   18   19   17   49   50                                       
CONECT   19   20   18   13                                            
CONECT   20   23   23   21   19                                       
CONECT   21   22   22   20   51                                       
CONECT   22   25   21   21   52                                       
CONECT   23   24   20   20   53                                       
CONECT   24   25   25   23   54                                       
CONECT   25   26   24   24   22                                       
CONECT   26   31   27   35   25                                       
CONECT   27   28   30   26   29                                       
CONECT   28   27                                                      
CONECT   29   27                                                      
CONECT   30   27                                                      
CONECT   31   32   34   33   26                                       
CONECT   32   31                                                      
CONECT   33   31                                                      
CONECT   34   31                                                      
CONECT   35   26   55                                                 
CONECT   36    1                                                      
CONECT   37    2                                                      
CONECT   38    4                                                      
CONECT   39    4                                                      
CONECT   40    6                                                      
CONECT   41   12                                                      
CONECT   42   12                                                      
CONECT   43   13                                                      
CONECT   44   16                                                      
CONECT   45   16                                                      
CONECT   46   16                                                      
CONECT   47   17                                                      
CONECT   48   17                                                      
CONECT   49   18                                                      
CONECT   50   18                                                      
CONECT   51   21                                                      
CONECT   52   22                                                      
CONECT   53   23                                                      
CONECT   54   24                                                      
CONECT   55   35                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
