COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.273  -4.120  -1.183  1.00  0.00           C  
HETATM    2  C   UNL     1       4.686   4.036  -0.246  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.917  -3.265  -0.828  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.774  -3.434   0.263  1.00  0.00           C  
HETATM    5  C   UNL     1       4.730   1.761   0.444  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.810  -1.639  -0.549  1.00  0.00           C  
HETATM    7  C   UNL     1       3.566  -0.749   0.303  1.00  0.00           C  
HETATM    8  C   UNL     1       4.700  -0.547   1.093  1.00  0.00           C  
HETATM    9  C   UNL     1       5.276   0.704   1.160  1.00  0.00           C  
HETATM   10  C   UNL     1       3.602   1.564  -0.342  1.00  0.00           C  
HETATM   11  C   UNL     1       3.021   0.316  -0.415  1.00  0.00           C  
HETATM   12  N   UNL     1       1.891  -2.395  -0.472  1.00  0.00           N  
HETATM   13  N   UNL     1      -2.764  -2.558   0.383  1.00  0.00           N  
HETATM   14  C   UNL     1       1.480  -3.642  -0.418  1.00  0.00           C  
HETATM   15  N   UNL     1      -3.706  -0.626  -0.675  1.00  0.00           N  
HETATM   16  C   UNL     1       2.946  -2.089   0.228  1.00  0.00           C  
HETATM   17  S   UNL     1       3.514  -3.528   1.071  1.00  0.00           S  
HETATM   18  C   UNL     1       2.199  -4.459   0.357  1.00  0.00           C  
HETATM   19  S   UNL     1      -1.434  -2.009  -1.605  1.00  0.00           S  
HETATM   20  O   UNL     1       5.298   2.993   0.516  1.00  0.00           O  
HETATM   21  F   UNL     1       3.362   4.206   0.175  1.00  0.00           F  
HETATM   22  F   UNL     1       5.392   5.228  -0.057  1.00  0.00           F  
HETATM   23  F   UNL     1       4.703   3.693  -1.602  1.00  0.00           F  
HETATM   24  O   UNL     1      -1.619  -4.341   1.065  1.00  0.00           O  
HETATM   25  C   UNL     1      -4.782  -0.474   0.306  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.644   0.734  -0.065  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.812   2.013   0.057  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.695   3.223  -0.257  1.00  0.00           C  
HETATM   29  N   UNL     1      -6.825   3.262   0.681  1.00  0.00           N  
HETATM   30  C   UNL     1      -7.666   2.065   0.549  1.00  0.00           C  
HETATM   31  C   UNL     1      -6.841   0.821   0.887  1.00  0.00           C  
HETATM   32  C   UNL     1      -7.618   4.485   0.500  1.00  0.00           C  
HETATM   33  H   UNL     1       0.065  -5.158  -0.922  1.00  0.00           H  
HETATM   34  H   UNL     1       0.467  -4.046  -2.252  1.00  0.00           H  
HETATM   35  H   UNL     1       5.124  -1.368   1.650  1.00  0.00           H  
HETATM   36  H   UNL     1       6.153   0.862   1.770  1.00  0.00           H  
HETATM   37  H   UNL     1       3.181   2.388  -0.898  1.00  0.00           H  
HETATM   38  H   UNL     1       2.144   0.163  -1.026  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.633  -0.004  -1.416  1.00  0.00           H  
HETATM   40  H   UNL     1       2.008  -5.510   0.518  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.399  -1.373   0.311  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.352  -0.323   1.297  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.001   0.627  -1.089  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.423   2.100   1.071  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.982   1.976  -0.649  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.109   4.137  -0.157  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.072   3.143  -1.276  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.510   2.138   1.234  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.033   1.991  -0.474  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.461  -0.068   0.774  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.484   0.889   1.915  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.007   4.518  -0.518  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.448   4.488   1.206  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.987   5.357   0.676  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.020  -2.552  -2.687  1.00  0.00           H  
CONECT    1    3   14   33   34                                       
CONECT    2   22   21   23   20                                       
CONECT    3   19   19    4    1                                       
CONECT    4   13    3   24   24                                       
CONECT    5   20    9    9   10                                       
CONECT    6   15   19   13   13                                       
CONECT    7    8    8   11   16                                       
CONECT    8    9    7    7   35                                       
CONECT    9    5    5    8   36                                       
CONECT   10    5   11   11   37                                       
CONECT   11   10   10    7   38                                       
CONECT   12   16   16   14                                            
CONECT   13    6    6    4                                            
CONECT   14   12    1   18   18                                       
CONECT   15   25    6   39                                            
CONECT   16    7   12   12   17                                       
CONECT   17   16   18                                                 
CONECT   18   17   14   14   40                                       
CONECT   19    6    3    3   55                                       
CONECT   20    2    5                                                 
CONECT   21    2                                                      
CONECT   22    2                                                      
CONECT   23    2                                                      
CONECT   24    4    4                                                 
CONECT   25   26   15   41   42                                       
CONECT   26   27   31   25   43                                       
CONECT   27   28   26   44   45                                       
CONECT   28   29   27   46   47                                       
CONECT   29   32   28   30                                            
CONECT   30   29   31   48   49                                       
CONECT   31   30   26   50   51                                       
CONECT   32   29   52   53   54                                       
CONECT   33    1                                                      
CONECT   34    1                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   11                                                      
CONECT   39   15                                                      
CONECT   40   18                                                      
CONECT   41   25                                                      
CONECT   42   25                                                      
CONECT   43   26                                                      
CONECT   44   27                                                      
CONECT   45   27                                                      
CONECT   46   28                                                      
CONECT   47   28                                                      
CONECT   48   30                                                      
CONECT   49   30                                                      
CONECT   50   31                                                      
CONECT   51   31                                                      
CONECT   52   32                                                      
CONECT   53   32                                                      
CONECT   54   32                                                      
CONECT   55   19                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
