COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.706  -0.037  -0.041  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.621  -0.873  -0.196  1.00  0.00           C  
HETATM    3  N   UNL     1       0.536  -0.264  -0.074  1.00  0.00           N  
HETATM    4  C   UNL     1       0.515   1.014   0.171  1.00  0.00           C  
HETATM    5  S   UNL     1      -1.093   1.586   0.265  1.00  0.00           S  
HETATM    6  C   UNL     1      -3.063  -0.412  -0.118  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.741  -2.231  -0.456  1.00  0.00           N  
HETATM    8  N   UNL     1       1.636   1.801   0.326  1.00  0.00           N  
HETATM    9  O   UNL     1      -3.363  -1.573  -0.337  1.00  0.00           O  
HETATM   10  C   UNL     1       5.428   0.099   0.055  1.00  0.00           C  
HETATM   11  C   UNL     1       4.372  -0.454  -0.646  1.00  0.00           C  
HETATM   12  C   UNL     1       3.113   0.108  -0.558  1.00  0.00           C  
HETATM   13  C   UNL     1       2.909   1.229   0.235  1.00  0.00           C  
HETATM   14  C   UNL     1       3.972   1.782   0.938  1.00  0.00           C  
HETATM   15  C   UNL     1       5.227   1.212   0.851  1.00  0.00           C  
HETATM   16  S   UNL     1       7.032  -0.621  -0.060  1.00  0.00           S  
HETATM   17  O   UNL     1       6.837  -1.976  -0.440  1.00  0.00           O  
HETATM   18  N   UNL     1       7.809   0.112  -1.326  1.00  0.00           N  
HETATM   19  O   UNL     1       7.730  -0.236   1.116  1.00  0.00           O  
HETATM   20  N   UNL     1      -4.029   0.513   0.049  1.00  0.00           N  
HETATM   21  C   UNL     1      -8.040  -0.630   0.021  1.00  0.00           C  
HETATM   22  C   UNL     1      -7.083  -1.482   0.541  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.752  -1.107   0.552  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.376   0.129   0.039  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.340   0.983  -0.483  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.670   0.600  -0.491  1.00  0.00           C  
HETATM   27  F   UNL     1      -5.980   2.185  -0.983  1.00  0.00           F  
HETATM   28  F   UNL     1      -4.819  -1.940   1.062  1.00  0.00           F  
HETATM   29  H   UNL     1      -1.619  -2.634  -0.537  1.00  0.00           H  
HETATM   30  H   UNL     1       0.055  -2.777  -0.558  1.00  0.00           H  
HETATM   31  H   UNL     1       1.542   2.751   0.499  1.00  0.00           H  
HETATM   32  H   UNL     1       4.531  -1.326  -1.264  1.00  0.00           H  
HETATM   33  H   UNL     1       2.289  -0.324  -1.107  1.00  0.00           H  
HETATM   34  H   UNL     1       3.816   2.654   1.556  1.00  0.00           H  
HETATM   35  H   UNL     1       6.053   1.641   1.397  1.00  0.00           H  
HETATM   36  H   UNL     1       7.358   0.802  -1.838  1.00  0.00           H  
HETATM   37  H   UNL     1       8.715  -0.147  -1.555  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.791   1.445   0.176  1.00  0.00           H  
HETATM   39  H   UNL     1      -9.078  -0.928   0.010  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.376  -2.442   0.940  1.00  0.00           H  
HETATM   41  H   UNL     1      -8.419   1.261  -0.900  1.00  0.00           H  
CONECT    1    2    2    6    5                                       
CONECT    2    1    1    7    3                                       
CONECT    3    2    4    4                                            
CONECT    4    3    3    8    5                                       
CONECT    5    1    4                                                 
CONECT    6    1    9    9   20                                       
CONECT    7    2   29   30                                            
CONECT    8    4   13   31                                            
CONECT    9    6    6                                                 
CONECT   10   11   11   15   16                                       
CONECT   11   10   10   12   32                                       
CONECT   12   11   13   13   33                                       
CONECT   13    8   12   12   14                                       
CONECT   14   13   15   15   34                                       
CONECT   15   10   14   14   35                                       
CONECT   16   10   17   17   19                                       
CONECT   16   19   18                                                 
CONECT   17   16   16                                                 
CONECT   18   16   36   37                                            
CONECT   19   16   16                                                 
CONECT   20    6   24   38                                            
CONECT   21   22   22   26   39                                       
CONECT   22   21   21   23   40                                       
CONECT   23   22   28   24   24                                       
CONECT   24   20   23   23   25                                       
CONECT   25   24   27   26   26                                       
CONECT   26   21   25   25   41                                       
CONECT   27   25                                                      
CONECT   28   23                                                      
CONECT   29    7                                                      
CONECT   30    7                                                      
CONECT   31    8                                                      
CONECT   32   11                                                      
CONECT   33   12                                                      
CONECT   34   14                                                      
CONECT   35   15                                                      
CONECT   36   18                                                      
CONECT   37   18                                                      
CONECT   38   20                                                      
CONECT   39   21                                                      
CONECT   40   22                                                      
CONECT   41   26                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
