COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.095   1.048   0.504  1.00  0.00           C  
HETATM    2  C   UNL     1       2.675  -0.231   0.855  1.00  0.00           C  
HETATM    3  C   UNL     1       3.668   2.896  -0.611  1.00  0.00           C  
HETATM    4  N   UNL     1       4.461  -1.612  -0.215  1.00  0.00           N  
HETATM    5  C   UNL     1       0.275  -3.798   0.025  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.135  -3.837   0.143  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.015   0.807  -0.219  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.911  -0.337  -0.352  1.00  0.00           C  
HETATM    9  C   UNL     1       4.501  -2.737  -0.886  1.00  0.00           C  
HETATM   10  C   UNL     1       1.804  -0.405   1.922  1.00  0.00           C  
HETATM   11  C   UNL     1       0.893  -2.486  -0.227  1.00  0.00           C  
HETATM   12  N   UNL     1       3.131  -1.343   0.133  1.00  0.00           N  
HETATM   13  C   UNL     1       2.359  -2.357  -0.358  1.00  0.00           C  
HETATM   14  N   UNL     1       0.115  -1.430  -0.333  1.00  0.00           N  
HETATM   15  N   UNL     1      -1.159  -1.510  -0.225  1.00  0.00           N  
HETATM   16  S   UNL     1      -5.747   0.785   0.102  1.00  0.00           S  
HETATM   17  O   UNL     1       3.935   1.487  -0.479  1.00  0.00           O  
HETATM   18  O   UNL     1       3.192   3.277   0.694  1.00  0.00           O  
HETATM   19  C   UNL     1       2.639   2.147   1.224  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.814  -2.669   0.011  1.00  0.00           C  
HETATM   21  C   UNL     1       3.204  -3.237  -0.998  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.276  -0.353  -0.093  1.00  0.00           C  
HETATM   23  O   UNL     1      -5.922  -0.291   1.013  1.00  0.00           O  
HETATM   24  O   UNL     1      -6.050   2.121   0.479  1.00  0.00           O  
HETATM   25  O   UNL     1       0.951  -4.810   0.132  1.00  0.00           O  
HETATM   26  F   UNL     1       4.840   3.591  -0.929  1.00  0.00           F  
HETATM   27  F   UNL     1       2.683   3.122  -1.579  1.00  0.00           F  
HETATM   28  C   UNL     1      -6.500   0.390  -1.501  1.00  0.00           C  
HETATM   29  C   UNL     1       1.765   1.963   2.285  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.398   1.983  -0.604  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.294   0.847  -0.738  1.00  0.00           C  
HETATM   32  C   UNL     1       1.354   0.690   2.634  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.039   2.003  -0.862  1.00  0.00           C  
HETATM   34  H   UNL     1      -1.654  -4.765   0.331  1.00  0.00           H  
HETATM   35  H   UNL     1       5.391  -3.199  -1.286  1.00  0.00           H  
HETATM   36  H   UNL     1       1.478  -1.398   2.195  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.891  -2.666   0.096  1.00  0.00           H  
HETATM   38  H   UNL     1       2.914  -4.150  -1.497  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.758  -1.272   0.207  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.137  -0.579  -1.843  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.584   0.356  -1.395  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.230   1.156  -2.228  1.00  0.00           H  
HETATM   43  H   UNL     1       1.410   2.816   2.845  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.979   2.888  -0.702  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.234   0.863  -0.940  1.00  0.00           H  
HETATM   46  H   UNL     1       0.676   0.552   3.463  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.561   2.923  -1.162  1.00  0.00           H  
CONECT    1   19   19   17    2                                       
CONECT    2   12    1   10   10                                       
CONECT    3   18   17   26   27                                       
CONECT    4   12    9    9                                            
CONECT    5   11   25   25    6                                       
CONECT    6    5   20   20   34                                       
CONECT    7   16   30   30   22                                       
CONECT    8   15   22   22   31                                       
CONECT    9    4    4   21   35                                       
CONECT   10    2    2   32   36                                       
CONECT   11   13   14   14    5                                       
CONECT   12   13    4    2                                            
CONECT   13   11   12   21   21                                       
CONECT   14   11   11   15                                            
CONECT   15   14    8   20                                            
CONECT   16    7   23   23   24                                       
CONECT   16   24   28                                                 
CONECT   17    1    3                                                 
CONECT   18    3   19                                                 
CONECT   19    1    1   18   29                                       
CONECT   20   15    6    6   37                                       
CONECT   21   13   13    9   38                                       
CONECT   22    7    8    8   39                                       
CONECT   23   16   16                                                 
CONECT   24   16   16                                                 
CONECT   25    5    5                                                 
CONECT   26    3                                                      
CONECT   27    3                                                      
CONECT   28   16   40   41   42                                       
CONECT   29   19   32   32   43                                       
CONECT   30    7    7   33   44                                       
CONECT   31    8   33   33   45                                       
CONECT   32   10   29   29   46                                       
CONECT   33   30   31   31   47                                       
CONECT   34    6                                                      
CONECT   35    9                                                      
CONECT   36   10                                                      
CONECT   37   20                                                      
CONECT   38   21                                                      
CONECT   39   22                                                      
CONECT   40   28                                                      
CONECT   41   28                                                      
CONECT   42   28                                                      
CONECT   43   29                                                      
CONECT   44   30                                                      
CONECT   45   31                                                      
CONECT   46   32                                                      
CONECT   47   33                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
