COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -6.130   0.651  -0.010  1.00  0.00           N  
HETATM    2  N   UNL     1       1.312   1.421  -0.348  1.00  0.00           N  
HETATM    3  C   UNL     1      -7.381   0.470   0.458  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.148   1.427   0.760  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.887   0.578   0.948  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.385   0.108  -0.419  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.455  -0.758  -1.088  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.017   0.021  -0.282  1.00  0.00           C  
HETATM    9  C   UNL     1       0.207  -0.652  -0.127  1.00  0.00           C  
HETATM   10  C   UNL     1       3.787  -0.453   0.037  1.00  0.00           C  
HETATM   11  C   UNL     1       6.081  -1.128   0.250  1.00  0.00           C  
HETATM   12  C   UNL     1       4.192   0.866  -0.114  1.00  0.00           C  
HETATM   13  C   UNL     1       8.723   0.482  -1.590  1.00  0.00           C  
HETATM   14  C   UNL     1     -10.491   0.752  -0.166  1.00  0.00           C  
HETATM   15  C   UNL     1       0.142   2.005  -0.488  1.00  0.00           C  
HETATM   16  C   UNL     1       1.395   0.106  -0.166  1.00  0.00           C  
HETATM   17  C   UNL     1       0.582  -1.999   0.075  1.00  0.00           C  
HETATM   18  C   UNL     1       4.737  -1.452   0.222  1.00  0.00           C  
HETATM   19  C   UNL     1       6.479   0.188   0.104  1.00  0.00           C  
HETATM   20  C   UNL     1       5.537   1.183  -0.080  1.00  0.00           C  
HETATM   21  C   UNL     1      -9.599  -0.398   0.307  1.00  0.00           C  
HETATM   22  C   UNL     1     -10.198  -1.729  -0.153  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.721   0.072  -1.296  1.00  0.00           C  
HETATM   24  F   UNL     1       4.347  -2.736   0.376  1.00  0.00           F  
HETATM   25  N   UNL     1      -0.997   1.336  -0.459  1.00  0.00           N  
HETATM   26  N   UNL     1       1.881  -2.059   0.153  1.00  0.00           N  
HETATM   27  N   UNL     1       2.424  -0.776   0.009  1.00  0.00           N  
HETATM   28  O   UNL     1      -8.271  -0.243  -0.258  1.00  0.00           O  
HETATM   29  O   UNL     1      -7.706   0.950   1.526  1.00  0.00           O  
HETATM   30  O   UNL     1      -2.189  -0.656  -0.253  1.00  0.00           O  
HETATM   31  O   UNL     1       8.784  -0.439   0.913  1.00  0.00           O  
HETATM   32  O   UNL     1       8.222   1.947   0.582  1.00  0.00           O  
HETATM   33  S   UNL     1       8.193   0.597   0.141  1.00  0.00           S  
HETATM   34  H   UNL     1      -4.897   2.339   0.219  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.567   1.683   1.733  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.115   1.175   1.434  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.121  -0.288   1.567  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.177   0.976  -1.045  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.087  -1.111  -2.052  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.683  -1.611  -0.450  1.00  0.00           H  
HETATM   41  H   UNL     1       6.820  -1.903   0.395  1.00  0.00           H  
HETATM   42  H   UNL     1       3.457   1.644  -0.259  1.00  0.00           H  
HETATM   43  H   UNL     1       8.554  -0.531  -1.955  1.00  0.00           H  
HETATM   44  H   UNL     1       8.149   1.186  -2.193  1.00  0.00           H  
HETATM   45  H   UNL     1       9.783   0.722  -1.662  1.00  0.00           H  
HETATM   46  H   UNL     1     -11.489   0.636   0.259  1.00  0.00           H  
HETATM   47  H   UNL     1     -10.065   1.701   0.162  1.00  0.00           H  
HETATM   48  H   UNL     1     -10.556   0.739  -1.254  1.00  0.00           H  
HETATM   49  H   UNL     1       0.111   3.075  -0.635  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.094  -2.837   0.153  1.00  0.00           H  
HETATM   51  H   UNL     1       5.852   2.209  -0.194  1.00  0.00           H  
HETATM   52  H   UNL     1      -9.535  -0.384   1.395  1.00  0.00           H  
HETATM   53  H   UNL     1     -10.262  -1.742  -1.241  1.00  0.00           H  
HETATM   54  H   UNL     1      -9.562  -2.548   0.184  1.00  0.00           H  
HETATM   55  H   UNL     1     -11.195  -1.845   0.271  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.516  -0.567  -1.681  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.519   0.875  -2.005  1.00  0.00           H  
CONECT    1   23    4    3                                            
CONECT    2   16   16   15                                            
CONECT    3    1   29   29   28                                       
CONECT    4    5    1   34   35                                       
CONECT    5    6    4   36   37                                       
CONECT    6   30    7    5   38                                       
CONECT    7    6   23   39   40                                       
CONECT    8    9    9   25   30                                       
CONECT    9   17   16    8    8                                       
CONECT   10   12   12   18   27                                       
CONECT   11   19   18   18   41                                       
CONECT   12   20   10   10   42                                       
CONECT   13   33   43   44   45                                       
CONECT   14   21   46   47   48                                       
CONECT   15    2   25   25   49                                       
CONECT   16   27    2    2    9                                       
CONECT   17   26   26    9   50                                       
CONECT   18   11   11   10   24                                       
CONECT   19   33   20   20   11                                       
CONECT   20   19   19   12   51                                       
CONECT   21   22   28   14   52                                       
CONECT   22   21   53   54   55                                       
CONECT   23    7    1   56   57                                       
CONECT   24   18                                                      
CONECT   25   15   15    8                                            
CONECT   26   27   17   17                                            
CONECT   27   10   26   16                                            
CONECT   28    3   21                                                 
CONECT   29    3    3                                                 
CONECT   30    8    6                                                 
CONECT   31   33   33                                                 
CONECT   32   33   33                                                 
CONECT   33   31   31   13   32                                       
CONECT   33   32   19                                                 
CONECT   34    4                                                      
CONECT   35    4                                                      
CONECT   36    5                                                      
CONECT   37    5                                                      
CONECT   38    6                                                      
CONECT   39    7                                                      
CONECT   40    7                                                      
CONECT   41   11                                                      
CONECT   42   12                                                      
CONECT   43   13                                                      
CONECT   44   13                                                      
CONECT   45   13                                                      
CONECT   46   14                                                      
CONECT   47   14                                                      
CONECT   48   14                                                      
CONECT   49   15                                                      
CONECT   50   17                                                      
CONECT   51   20                                                      
CONECT   52   21                                                      
CONECT   53   22                                                      
CONECT   54   22                                                      
CONECT   55   22                                                      
CONECT   56   23                                                      
CONECT   57   23                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
