COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.007   1.836  -1.196  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.922   3.212  -1.085  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.890   3.789   0.181  1.00  0.00           C  
HETATM    4  N   UNL     1      -4.805   5.171   0.307  1.00  0.00           N  
HETATM    5  N   UNL     1      -4.940   3.033   1.267  1.00  0.00           N  
HETATM    6  C   UNL     1      -5.021   1.718   1.191  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.056   1.080  -0.032  1.00  0.00           C  
HETATM    8  S   UNL     1      -5.172  -0.676  -0.117  1.00  0.00           S  
HETATM    9  O   UNL     1      -5.745  -1.100   1.112  1.00  0.00           O  
HETATM   10  O   UNL     1      -5.737  -0.981  -1.384  1.00  0.00           O  
HETATM   11  N   UNL     1      -3.625  -1.268  -0.140  1.00  0.00           N  
HETATM   12  C   UNL     1      -2.914  -1.472  -1.411  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.549  -0.782  -1.322  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.924  -1.599   1.110  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.556  -0.909   1.097  1.00  0.00           C  
HETATM   16  N   UNL     1      -0.839  -1.262  -0.129  1.00  0.00           N  
HETATM   17  C   UNL     1       0.464  -0.785  -0.100  1.00  0.00           C  
HETATM   18  N   UNL     1       0.688   0.518  -0.156  1.00  0.00           N  
HETATM   19  C   UNL     1       1.910   1.015  -0.125  1.00  0.00           C  
HETATM   20  C   UNL     1       3.014   0.189  -0.034  1.00  0.00           C  
HETATM   21  C   UNL     1       4.402   0.777   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       4.607   1.671  -1.225  1.00  0.00           C  
HETATM   23  F   UNL     1       5.933   2.112  -1.264  1.00  0.00           F  
HETATM   24  F   UNL     1       4.323   0.943  -2.386  1.00  0.00           F  
HETATM   25  F   UNL     1       3.750   2.774  -1.146  1.00  0.00           F  
HETATM   26  C   UNL     1       4.573   1.609   1.272  1.00  0.00           C  
HETATM   27  F   UNL     1       5.860   2.155   1.303  1.00  0.00           F  
HETATM   28  F   UNL     1       3.628   2.642   1.285  1.00  0.00           F  
HETATM   29  F   UNL     1       4.385   0.793   2.392  1.00  0.00           F  
HETATM   30  O   UNL     1       5.366  -0.277  -0.013  1.00  0.00           O  
HETATM   31  C   UNL     1       2.835  -1.184   0.028  1.00  0.00           C  
HETATM   32  C   UNL     1       1.535  -1.685  -0.005  1.00  0.00           C  
HETATM   33  C   UNL     1       1.287  -3.146   0.064  1.00  0.00           C  
HETATM   34  C   UNL     1       1.877  -4.011  -0.862  1.00  0.00           C  
HETATM   35  C   UNL     1       1.615  -5.366  -0.754  1.00  0.00           C  
HETATM   36  C   UNL     1       0.786  -5.816   0.257  1.00  0.00           C  
HETATM   37  N   UNL     1       0.244  -4.976   1.117  1.00  0.00           N  
HETATM   38  C   UNL     1       0.468  -3.679   1.058  1.00  0.00           C  
HETATM   39  H   UNL     1      -5.038   1.361  -2.165  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.882   3.831  -1.969  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.769   5.728  -0.486  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.783   5.577   1.187  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.059   1.133   2.099  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.774  -2.539  -1.586  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.493  -1.040  -2.228  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.964  -1.015  -2.211  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.690   0.296  -1.251  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.506  -1.243   1.961  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.793  -2.678   1.182  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.693   0.171   1.132  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.979  -1.231   1.964  1.00  0.00           H  
HETATM   52  H   UNL     1       2.050   2.085  -0.174  1.00  0.00           H  
HETATM   53  H   UNL     1       5.316  -0.847  -0.793  1.00  0.00           H  
HETATM   54  H   UNL     1       3.683  -1.849   0.100  1.00  0.00           H  
HETATM   55  H   UNL     1       2.520  -3.632  -1.643  1.00  0.00           H  
HETATM   56  H   UNL     1       2.052  -6.064  -1.453  1.00  0.00           H  
HETATM   57  H   UNL     1       0.580  -6.873   0.344  1.00  0.00           H  
HETATM   58  H   UNL     1       0.010  -3.023   1.783  1.00  0.00           H  
CONECT    1    2    2    7   39                                       
CONECT    2    1    1    3   40                                       
CONECT    3    2    4    5    5                                       
CONECT    4    3   41   42                                            
CONECT    5    3    3    6                                            
CONECT    6    7    7    5   43                                       
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   12   14    8                                            
CONECT   12   13   11   44   45                                       
CONECT   13   16   12   46   47                                       
CONECT   14   15   11   48   49                                       
CONECT   15   16   14   50   51                                       
CONECT   16   17   13   15                                            
CONECT   17   18   18   32   16                                       
CONECT   18   19   17   17                                            
CONECT   19   20   20   18   52                                       
CONECT   20   21   19   19   31                                       
CONECT   21   22   26   30   20                                       
CONECT   22   25   23   24   21                                       
CONECT   23   22                                                      
CONECT   24   22                                                      
CONECT   25   22                                                      
CONECT   26   28   29   21   27                                       
CONECT   27   26                                                      
CONECT   28   26                                                      
CONECT   29   26                                                      
CONECT   30   21   53                                                 
CONECT   31   20   32   32   54                                       
CONECT   32   31   31   17   33                                       
CONECT   33   32   34   34   38                                       
CONECT   34   33   33   35   55                                       
CONECT   35   34   36   36   56                                       
CONECT   36   37   35   35   57                                       
CONECT   37   38   38   36                                            
CONECT   38   33   37   37   58                                       
CONECT   39    1                                                      
CONECT   40    2                                                      
CONECT   41    4                                                      
CONECT   42    4                                                      
CONECT   43    6                                                      
CONECT   44   12                                                      
CONECT   45   12                                                      
CONECT   46   13                                                      
CONECT   47   13                                                      
CONECT   48   14                                                      
CONECT   49   14                                                      
CONECT   50   15                                                      
CONECT   51   15                                                      
CONECT   52   19                                                      
CONECT   53   30                                                      
CONECT   54   31                                                      
CONECT   55   34                                                      
CONECT   56   35                                                      
CONECT   57   36                                                      
CONECT   58   38                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
