COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.893   1.287   1.642  1.00  0.00           C  
HETATM    2  C   UNL     1       0.506   0.910   1.190  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.052  -0.274   1.585  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.799   1.049  -0.959  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.340  -0.602   1.154  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.295   0.084  -0.171  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.404   1.418  -0.007  1.00  0.00           C  
HETATM    8  N   UNL     1       2.786   1.346   0.481  1.00  0.00           N  
HETATM    9  C   UNL     1       4.104   3.402   0.353  1.00  0.00           C  
HETATM   10  C   UNL     1       2.949   2.602  -0.254  1.00  0.00           C  
HETATM   11  O   UNL     1      -1.852  -1.655   1.498  1.00  0.00           O  
HETATM   12  N   UNL     1      -2.024   0.260   0.345  1.00  0.00           N  
HETATM   13  S   UNL     1      -2.543   2.296  -1.041  1.00  0.00           S  
HETATM   14  N   UNL     1      -0.190   1.727   0.407  1.00  0.00           N  
HETATM   15  C   UNL     1      -5.151   1.070  -1.625  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.070  -1.122   0.132  1.00  0.00           C  
HETATM   17  O   UNL     1      -4.758  -1.168   1.136  1.00  0.00           O  
HETATM   18  N   UNL     1      -4.023  -2.181  -0.700  1.00  0.00           N  
HETATM   19  C   UNL     1      -4.881  -3.344  -0.457  1.00  0.00           C  
HETATM   20  C   UNL     1       3.481   0.203   0.076  1.00  0.00           C  
HETATM   21  C   UNL     1       4.328   0.257  -1.024  1.00  0.00           C  
HETATM   22  C   UNL     1       5.014  -0.873  -1.422  1.00  0.00           C  
HETATM   23  C   UNL     1       4.859  -2.060  -0.726  1.00  0.00           C  
HETATM   24  C   UNL     1       4.016  -2.116   0.371  1.00  0.00           C  
HETATM   25  C   UNL     1       3.331  -0.987   0.776  1.00  0.00           C  
HETATM   26  F   UNL     1       5.531  -3.164  -1.118  1.00  0.00           F  
HETATM   27  H   UNL     1       1.865   2.262   2.128  1.00  0.00           H  
HETATM   28  H   UNL     1       2.261   0.541   2.346  1.00  0.00           H  
HETATM   29  H   UNL     1       0.497  -0.949   2.224  1.00  0.00           H  
HETATM   30  H   UNL     1       3.886   3.619   1.399  1.00  0.00           H  
HETATM   31  H   UNL     1       5.023   2.820   0.287  1.00  0.00           H  
HETATM   32  H   UNL     1       4.226   4.337  -0.194  1.00  0.00           H  
HETATM   33  H   UNL     1       3.168   2.385  -1.300  1.00  0.00           H  
HETATM   34  H   UNL     1       2.030   3.184  -0.188  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.894   1.455  -0.928  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.112   1.712  -2.506  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.423   0.058  -1.925  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.421  -2.174  -1.461  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.926  -3.035  -0.482  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.704  -4.094  -1.228  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.651  -3.767   0.521  1.00  0.00           H  
HETATM   42  H   UNL     1       4.449   1.183  -1.567  1.00  0.00           H  
HETATM   43  H   UNL     1       5.672  -0.831  -2.277  1.00  0.00           H  
HETATM   44  H   UNL     1       3.896  -3.043   0.912  1.00  0.00           H  
HETATM   45  H   UNL     1       2.674  -1.032   1.632  1.00  0.00           H  
CONECT    1    8    2   27   28                                       
CONECT    2    1   14    3    3                                       
CONECT    3    2    2    5   29                                       
CONECT    4   13   15    6    6                                       
CONECT    5    3   12   11   11                                       
CONECT    6   12    4    4   16                                       
CONECT    7   14   14   13   12                                       
CONECT    8   20    1   10                                            
CONECT    9   10   30   31   32                                       
CONECT   10    8    9   33   34                                       
CONECT   11    5    5                                                 
CONECT   12    7    5    6                                            
CONECT   13    7    4                                                 
CONECT   14    2    7    7                                            
CONECT   15    4   35   36   37                                       
CONECT   16    6   18   17   17                                       
CONECT   17   16   16                                                 
CONECT   18   19   16   38                                            
CONECT   19   18   39   40   41                                       
CONECT   20   21   21   25    8                                       
CONECT   21   22   20   20   42                                       
CONECT   22   23   23   21   43                                       
CONECT   23   26   22   22   24                                       
CONECT   24   23   25   25   44                                       
CONECT   25   24   24   20   45                                       
CONECT   26   23                                                      
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    3                                                      
CONECT   30    9                                                      
CONECT   31    9                                                      
CONECT   32    9                                                      
CONECT   33   10                                                      
CONECT   34   10                                                      
CONECT   35   15                                                      
CONECT   36   15                                                      
CONECT   37   15                                                      
CONECT   38   18                                                      
CONECT   39   19                                                      
CONECT   40   19                                                      
CONECT   41   19                                                      
CONECT   42   21                                                      
CONECT   43   22                                                      
CONECT   44   24                                                      
CONECT   45   25                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
