COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -0.684   2.505   1.553  1.00  0.00           O  
HETATM    2  S   UNL     1       0.036   1.990   0.441  1.00  0.00           S  
HETATM    3  N   UNL     1       1.245   1.046   1.063  1.00  0.00           N  
HETATM    4  C   UNL     1       2.158   0.336   0.163  1.00  0.00           C  
HETATM    5  C   UNL     1       3.379  -0.144   0.949  1.00  0.00           C  
HETATM    6  N   UNL     1       4.294  -0.855   0.046  1.00  0.00           N  
HETATM    7  C   UNL     1       4.860   0.058  -0.955  1.00  0.00           C  
HETATM    8  C   UNL     1       5.474  -0.755  -2.097  1.00  0.00           C  
HETATM    9  C   UNL     1       5.356  -1.534   0.801  1.00  0.00           C  
HETATM   10  C   UNL     1       4.789  -2.793   1.460  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.072   0.921  -0.417  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.140   0.352   0.250  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.008  -0.486  -0.423  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.173  -1.107   0.306  1.00  0.00           C  
HETATM   15  F   UNL     1      -5.285  -0.264   0.211  1.00  0.00           F  
HETATM   16  F   UNL     1      -4.476  -2.345  -0.270  1.00  0.00           F  
HETATM   17  F   UNL     1      -3.838  -1.288   1.652  1.00  0.00           F  
HETATM   18  C   UNL     1      -2.809  -0.755  -1.764  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.742  -0.186  -2.432  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.875   0.656  -1.760  1.00  0.00           C  
HETATM   21  O   UNL     1       0.639   2.817  -0.545  1.00  0.00           O  
HETATM   22  H   UNL     1       1.349   0.962   2.024  1.00  0.00           H  
HETATM   23  H   UNL     1       1.645  -0.521  -0.272  1.00  0.00           H  
HETATM   24  H   UNL     1       2.479   1.009  -0.632  1.00  0.00           H  
HETATM   25  H   UNL     1       3.891   0.714   1.384  1.00  0.00           H  
HETATM   26  H   UNL     1       3.057  -0.817   1.744  1.00  0.00           H  
HETATM   27  H   UNL     1       4.072   0.700  -1.349  1.00  0.00           H  
HETATM   28  H   UNL     1       5.632   0.672  -0.491  1.00  0.00           H  
HETATM   29  H   UNL     1       6.163  -1.811   0.123  1.00  0.00           H  
HETATM   30  H   UNL     1       5.741  -0.863   1.569  1.00  0.00           H  
HETATM   31  H   UNL     1       6.252  -1.408  -1.701  1.00  0.00           H  
HETATM   32  H   UNL     1       4.700  -1.359  -2.570  1.00  0.00           H  
HETATM   33  H   UNL     1       5.907  -0.078  -2.833  1.00  0.00           H  
HETATM   34  H   UNL     1       4.317  -3.418   0.702  1.00  0.00           H  
HETATM   35  H   UNL     1       5.596  -3.348   1.938  1.00  0.00           H  
HETATM   36  H   UNL     1       4.050  -2.510   2.209  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.296   0.563   1.298  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.043   1.105  -2.283  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.488  -1.410  -2.290  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.586  -0.396  -3.480  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   11                                       
CONECT    2   21   21                                                 
CONECT    3    2    4   22                                            
CONECT    4    3    5   23   24                                       
CONECT    5    4    6   25   26                                       
CONECT    6    5    7    9                                            
CONECT    7    6    8   27   28                                       
CONECT    8    7   31   32   33                                       
CONECT    9    6   10   29   30                                       
CONECT   10    9   34   35   36                                       
CONECT   11    2   12   20   20                                       
CONECT   12   11   13   13   37                                       
CONECT   13   12   12   14   18                                       
CONECT   14   13   15   16   17                                       
CONECT   15   14                                                      
CONECT   16   14                                                      
CONECT   17   14                                                      
CONECT   18   13   19   19   39                                       
CONECT   19   18   18   20   40                                       
CONECT   20   11   11   19   38                                       
CONECT   21    2    2                                                 
CONECT   22    3                                                      
CONECT   23    4                                                      
CONECT   24    4                                                      
CONECT   25    5                                                      
CONECT   26    5                                                      
CONECT   27    7                                                      
CONECT   28    7                                                      
CONECT   29    9                                                      
CONECT   30    9                                                      
CONECT   31    8                                                      
CONECT   32    8                                                      
CONECT   33    8                                                      
CONECT   34   10                                                      
CONECT   35   10                                                      
CONECT   36   10                                                      
CONECT   37   12                                                      
CONECT   38   20                                                      
CONECT   39   18                                                      
CONECT   40   19                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
