COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.164   0.989   0.065  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.265   1.882   0.022  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.827   1.499   0.043  1.00  0.00           C  
HETATM    4  N   UNL     1       0.235   1.904   0.026  1.00  0.00           N  
HETATM    5  O   UNL     1      -4.402   1.448   0.040  1.00  0.00           O  
HETATM    6  O   UNL     1      -3.051   3.213  -0.039  1.00  0.00           O  
HETATM    7  C   UNL     1      -4.206   4.054  -0.080  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.385  -0.388   0.134  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.421  -1.345   0.185  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.752  -2.626   0.254  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.247  -2.849   0.266  1.00  0.00           C  
HETATM   12  S   UNL     1      -3.924  -1.158   0.175  1.00  0.00           S  
HETATM   13  C   UNL     1      -0.070  -0.975   0.165  1.00  0.00           C  
HETATM   14  C   UNL     1       0.599  -0.727   1.356  1.00  0.00           C  
HETATM   15  C   UNL     1       1.929  -0.361   1.339  1.00  0.00           C  
HETATM   16  C   UNL     1       2.603  -0.242   0.126  1.00  0.00           C  
HETATM   17  C   UNL     1       1.931  -0.491  -1.070  1.00  0.00           C  
HETATM   18  C   UNL     1       0.602  -0.862  -1.049  1.00  0.00           C  
HETATM   19  C   UNL     1       4.033   0.152   0.106  1.00  0.00           C  
HETATM   20  C   UNL     1       4.708   0.397   1.301  1.00  0.00           C  
HETATM   21  C   UNL     1       6.038   0.762   1.277  1.00  0.00           C  
HETATM   22  C   UNL     1       6.703   0.885   0.069  1.00  0.00           C  
HETATM   23  C   UNL     1       6.038   0.643  -1.119  1.00  0.00           C  
HETATM   24  C   UNL     1       4.709   0.272  -1.107  1.00  0.00           C  
HETATM   25  F   UNL     1      -0.051  -1.105  -2.207  1.00  0.00           F  
HETATM   26  O   UNL     1      -0.940  -3.525   0.302  1.00  0.00           O  
HETATM   27  H   UNL     1      -4.804   3.894   0.818  1.00  0.00           H  
HETATM   28  H   UNL     1      -3.894   5.097  -0.127  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.801   3.812  -0.961  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.556  -3.434  -0.601  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.556  -3.337   1.190  1.00  0.00           H  
HETATM   32  H   UNL     1       0.077  -0.819   2.297  1.00  0.00           H  
HETATM   33  H   UNL     1       2.448  -0.168   2.267  1.00  0.00           H  
HETATM   34  H   UNL     1       2.453  -0.403  -2.012  1.00  0.00           H  
HETATM   35  H   UNL     1       4.190   0.301   2.244  1.00  0.00           H  
HETATM   36  H   UNL     1       6.562   0.952   2.202  1.00  0.00           H  
HETATM   37  H   UNL     1       7.744   1.171   0.055  1.00  0.00           H  
HETATM   38  H   UNL     1       6.562   0.741  -2.059  1.00  0.00           H  
HETATM   39  H   UNL     1       4.192   0.079  -2.035  1.00  0.00           H  
CONECT    1    8    8    3    2                                       
CONECT    2    1    6    5    5                                       
CONECT    3    4    4    4    1                                       
CONECT    4    3    3    3                                            
CONECT    5    2    2                                                 
CONECT    6    2    7                                                 
CONECT    7    6   27   28   29                                       
CONECT    8    9   12    1    1                                       
CONECT    9   10   13    8                                            
CONECT   10   26   26    9   11                                       
CONECT   11   10   12   30   31                                       
CONECT   12   11    8                                                 
CONECT   13   18    9   14   14                                       
CONECT   14   13   13   15   32                                       
CONECT   15   16   16   14   33                                       
CONECT   16   17   19   15   15                                       
CONECT   17   18   18   16   34                                       
CONECT   18   25   17   17   13                                       
CONECT   19   20   16   24   24                                       
CONECT   20   21   21   19   35                                       
CONECT   21   20   20   22   36                                       
CONECT   22   21   23   23   37                                       
CONECT   23   22   22   24   38                                       
CONECT   24   19   19   23   39                                       
CONECT   25   18                                                      
CONECT   26   10   10                                                 
CONECT   27    7                                                      
CONECT   28    7                                                      
CONECT   29    7                                                      
CONECT   30   11                                                      
CONECT   31   11                                                      
CONECT   32   14                                                      
CONECT   33   15                                                      
CONECT   34   17                                                      
CONECT   35   20                                                      
CONECT   36   21                                                      
CONECT   37   22                                                      
CONECT   38   23                                                      
CONECT   39   24                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
