COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -4.963  -2.534   0.002  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.973   1.841  -0.001  1.00  0.00           C  
HETATM    3  C   UNL     1       0.356   2.557  -0.001  1.00  0.00           C  
HETATM    4  N   UNL     1      -0.667   1.508   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1       1.724   1.924  -0.001  1.00  0.00           C  
HETATM    6  O   UNL     1       6.407   0.430  -1.232  1.00  0.00           O  
HETATM    7  C   UNL     1      -6.544  -0.335   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.330   1.026  -0.001  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.994   0.794   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -4.876   2.303  -0.002  1.00  0.00           N  
HETATM   11  C   UNL     1      -5.139  -0.179   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.360  -1.343   0.002  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.054  -1.615   0.001  1.00  0.00           C  
HETATM   14  N   UNL     1      -6.238  -2.656   0.002  1.00  0.00           N  
HETATM   15  C   UNL     1      -7.458   0.863  -0.002  1.00  0.00           C  
HETATM   16  O   UNL     1      -2.303   3.013  -0.002  1.00  0.00           O  
HETATM   17  C   UNL     1       2.348   1.631   1.197  1.00  0.00           C  
HETATM   18  C   UNL     1       3.603   1.050   1.198  1.00  0.00           C  
HETATM   19  C   UNL     1       4.233   0.764   0.001  1.00  0.00           C  
HETATM   20  C   UNL     1       3.608   1.057  -1.196  1.00  0.00           C  
HETATM   21  C   UNL     1       2.351   1.633  -1.197  1.00  0.00           C  
HETATM   22  C   UNL     1       5.506  -1.760  -0.003  1.00  0.00           C  
HETATM   23  C   UNL     1      -8.545  -1.829   0.001  1.00  0.00           C  
HETATM   24  F   UNL     1       6.720  -2.456  -0.002  1.00  0.00           F  
HETATM   25  F   UNL     1       4.776  -2.097  -1.147  1.00  0.00           F  
HETATM   26  F   UNL     1       4.772  -2.103   1.137  1.00  0.00           F  
HETATM   27  O   UNL     1       6.402   0.424   1.242  1.00  0.00           O  
HETATM   28  S   UNL     1      -2.652  -0.925   0.002  1.00  0.00           S  
HETATM   29  S   UNL     1       5.832   0.025   0.002  1.00  0.00           S  
HETATM   30  H   UNL     1       0.242   3.175  -0.892  1.00  0.00           H  
HETATM   31  H   UNL     1       0.242   3.177   0.888  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.405   0.575   0.001  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.797   2.436  -0.277  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.337   3.061   0.271  1.00  0.00           H  
HETATM   35  H   UNL     1      -7.593   1.216  -1.024  1.00  0.00           H  
HETATM   36  H   UNL     1      -8.425   0.584   0.417  1.00  0.00           H  
HETATM   37  H   UNL     1      -7.017   1.657   0.601  1.00  0.00           H  
HETATM   38  H   UNL     1       1.856   1.855   2.132  1.00  0.00           H  
HETATM   39  H   UNL     1       4.091   0.822   2.134  1.00  0.00           H  
HETATM   40  H   UNL     1       4.100   0.833  -2.131  1.00  0.00           H  
HETATM   41  H   UNL     1       1.861   1.859  -2.133  1.00  0.00           H  
HETATM   42  H   UNL     1      -8.905  -1.882  -1.027  1.00  0.00           H  
HETATM   43  H   UNL     1      -8.778  -2.761   0.516  1.00  0.00           H  
HETATM   44  H   UNL     1      -9.032  -0.999   0.514  1.00  0.00           H  
CONECT    1   14   14   12                                            
CONECT    2    4    9   16   16                                       
CONECT    3    4    5   30   31                                       
CONECT    4    3    2   32                                            
CONECT    5   17    3   21   21                                       
CONECT    6   29   29                                                 
CONECT    7   13   13   11   15                                       
CONECT    8    9    9   11   10                                       
CONECT    9   28    2    8    8                                       
CONECT   10    8   33   34                                            
CONECT   11   12   12    7    8                                       
CONECT   12    1   28   11   11                                       
CONECT   13   14   23    7    7                                       
CONECT   14    1    1   13                                            
CONECT   15    7   35   36   37                                       
CONECT   16    2    2                                                 
CONECT   17   18   18    5   38                                       
CONECT   18   17   17   19   39                                       
CONECT   19   18   29   20   20                                       
CONECT   20   19   19   21   40                                       
CONECT   21    5    5   20   41                                       
CONECT   22   24   29   26   25                                       
CONECT   23   13   42   43   44                                       
CONECT   24   22                                                      
CONECT   25   22                                                      
CONECT   26   22                                                      
CONECT   27   29   29                                                 
CONECT   28   12    9                                                 
CONECT   29   27   27   19   22                                       
CONECT   29    6    6                                                 
CONECT   30    3                                                      
CONECT   31    3                                                      
CONECT   32    4                                                      
CONECT   33   10                                                      
CONECT   34   10                                                      
CONECT   35   15                                                      
CONECT   36   15                                                      
CONECT   37   15                                                      
CONECT   38   17                                                      
CONECT   39   18                                                      
CONECT   40   20                                                      
CONECT   41   21                                                      
CONECT   42   23                                                      
CONECT   43   23                                                      
CONECT   44   23                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
