COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.742   1.525  -1.747  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.596   0.873  -0.657  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.719   0.277   0.360  1.00  0.00           N  
HETATM    4  C   UNL     1      -2.474   1.916  -0.015  1.00  0.00           C  
HETATM    5  F   UNL     1       0.073   0.557  -2.342  1.00  0.00           F  
HETATM    6  F   UNL     1      -1.577   2.092  -2.716  1.00  0.00           F  
HETATM    7  F   UNL     1       0.057   2.522  -1.178  1.00  0.00           F  
HETATM    8  C   UNL     1      -0.359  -1.062  -0.124  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.435  -2.043   0.265  1.00  0.00           C  
HETATM   10  C   UNL     1       0.971  -1.489   0.500  1.00  0.00           C  
HETATM   11  S   UNL     1       2.265  -0.309   0.031  1.00  0.00           S  
HETATM   12  C   UNL     1       3.676  -1.058   0.891  1.00  0.00           C  
HETATM   13  N   UNL     1      -1.318  -3.342  -0.075  1.00  0.00           N  
HETATM   14  O   UNL     1      -2.406  -1.664   0.885  1.00  0.00           O  
HETATM   15  C   UNL     1      -2.308  -4.314   0.394  1.00  0.00           C  
HETATM   16  N   UNL     1      -3.662  -3.640  -1.532  1.00  0.00           N  
HETATM   17  C   UNL     1      -1.830  -5.747   0.640  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.162  -4.837   1.825  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.801   2.026  -0.390  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.608   2.982   0.197  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.086   3.831   1.162  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.755   3.718   1.536  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.954   2.757   0.951  1.00  0.00           C  
HETATM   24  O   UNL     1      -4.878   4.771   1.741  1.00  0.00           O  
HETATM   25  C   UNL     1       4.911  -0.231   0.646  1.00  0.00           C  
HETATM   26  C   UNL     1       5.726  -0.510  -0.435  1.00  0.00           C  
HETATM   27  C   UNL     1       6.857   0.252  -0.663  1.00  0.00           C  
HETATM   28  C   UNL     1       7.178   1.287   0.196  1.00  0.00           C  
HETATM   29  C   UNL     1       6.366   1.562   1.280  1.00  0.00           C  
HETATM   30  C   UNL     1       5.233   0.803   1.505  1.00  0.00           C  
HETATM   31  O   UNL     1       2.482  -0.392  -1.371  1.00  0.00           O  
HETATM   32  O   UNL     1       1.979   0.951   0.623  1.00  0.00           O  
HETATM   33  C   UNL     1      -3.727  -4.126  -0.147  1.00  0.00           C  
HETATM   34  H   UNL     1      -2.219   0.096  -1.100  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.283   0.145   1.187  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.262  -1.042  -1.209  1.00  0.00           H  
HETATM   37  H   UNL     1       0.873  -1.510   1.585  1.00  0.00           H  
HETATM   38  H   UNL     1       1.238  -2.483   0.140  1.00  0.00           H  
HETATM   39  H   UNL     1       3.470  -1.095   1.961  1.00  0.00           H  
HETATM   40  H   UNL     1       3.835  -2.069   0.516  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.579  -3.632  -0.632  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.186  -4.351  -2.067  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.611  -3.608  -1.873  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.527  -6.555   0.416  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.779  -5.966   0.452  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.328  -4.457   2.416  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.076  -5.046   2.380  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.206   1.365  -1.141  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.644   3.068  -0.097  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.347   4.377   2.288  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.917   2.668   1.242  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.278   4.360   2.519  1.00  0.00           H  
HETATM   53  H   UNL     1       5.475  -1.318  -1.106  1.00  0.00           H  
HETATM   54  H   UNL     1       7.491   0.037  -1.510  1.00  0.00           H  
HETATM   55  H   UNL     1       8.063   1.880   0.019  1.00  0.00           H  
HETATM   56  H   UNL     1       6.617   2.371   1.951  1.00  0.00           H  
HETATM   57  H   UNL     1       4.598   1.019   2.352  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.257  -3.399   0.468  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.255  -5.079  -0.121  1.00  0.00           H  
CONECT    1    2    5    6    7                                       
CONECT    2    1    3    4   34                                       
CONECT    3    2    8   35                                            
CONECT    4    2   19   19   23                                       
CONECT    5    1                                                      
CONECT    6    1                                                      
CONECT    7    1                                                      
CONECT    8    3    9   10   36                                       
CONECT    9    8   13   14   14                                       
CONECT   10    8   11   37   38                                       
CONECT   11   10   12   31   31                                       
CONECT   11   32   32                                                 
CONECT   12   11   25   39   40                                       
CONECT   13    9   15   41                                            
CONECT   14    9    9                                                 
CONECT   15   13   17   18   33                                       
CONECT   16   33   42   43                                            
CONECT   17   15   18   44   45                                       
CONECT   18   15   17   46   47                                       
CONECT   19    4    4   20   48                                       
CONECT   20   19   21   21   49                                       
CONECT   21   20   20   22   24                                       
CONECT   22   21   23   23   50                                       
CONECT   23    4   22   22   51                                       
CONECT   24   21   52                                                 
CONECT   25   12   26   30   30                                       
CONECT   26   25   27   27   53                                       
CONECT   27   26   26   28   54                                       
CONECT   28   27   29   29   55                                       
CONECT   29   28   28   30   56                                       
CONECT   30   25   25   29   57                                       
CONECT   31   11   11                                                 
CONECT   32   11   11                                                 
CONECT   33   15   16   58   59                                       
CONECT   34    2                                                      
CONECT   35    3                                                      
CONECT   36    8                                                      
CONECT   37   10                                                      
CONECT   38   10                                                      
CONECT   39   12                                                      
CONECT   40   12                                                      
CONECT   41   13                                                      
CONECT   42   16                                                      
CONECT   43   16                                                      
CONECT   44   17                                                      
CONECT   45   17                                                      
CONECT   46   18                                                      
CONECT   47   18                                                      
CONECT   48   19                                                      
CONECT   49   20                                                      
CONECT   50   22                                                      
CONECT   51   23                                                      
CONECT   52   24                                                      
CONECT   53   26                                                      
CONECT   54   27                                                      
CONECT   55   28                                                      
CONECT   56   29                                                      
CONECT   57   30                                                      
CONECT   58   33                                                      
CONECT   59   33                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
