COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.545  -1.679   2.668  1.00  0.00           C  
HETATM    2  C   UNL     1       5.405  -2.268   0.208  1.00  0.00           C  
HETATM    3  N   UNL     1       4.850  -2.597  -1.789  1.00  0.00           N  
HETATM    4  C   UNL     1       4.223  -3.589  -1.094  1.00  0.00           C  
HETATM    5  C   UNL     1       4.569  -3.398   0.219  1.00  0.00           C  
HETATM    6  C   UNL     1       4.108  -4.240   1.287  1.00  0.00           C  
HETATM    7  C   UNL     1       4.846  -5.365   1.655  1.00  0.00           C  
HETATM    8  C   UNL     1       4.398  -6.185   2.691  1.00  0.00           C  
HETATM    9  C   UNL     1       3.212  -5.879   3.359  1.00  0.00           C  
HETATM   10  C   UNL     1       2.474  -4.755   2.991  1.00  0.00           C  
HETATM   11  C   UNL     1       2.922  -3.935   1.955  1.00  0.00           C  
HETATM   12  C   UNL     1      11.931   0.262   3.056  1.00  0.00           C  
HETATM   13  C   UNL     1      13.393  -0.602   4.748  1.00  0.00           C  
HETATM   14  C   UNL     1      13.929  -1.495   3.820  1.00  0.00           C  
HETATM   15  O   UNL     1      10.217   3.047   1.192  1.00  0.00           O  
HETATM   16  C   UNL     1      11.279   2.152   1.505  1.00  0.00           C  
HETATM   17  CA  UNL     1      10.839   1.223   2.639  1.00  0.00           C  
HETATM   18  N   UNL     1       9.637   0.507   2.276  1.00  0.00           N  
HETATM   19  C   UNL     1       8.624   0.134   3.184  1.00  0.00           C  
HETATM   20  O   UNL     1       8.722   0.419   4.404  1.00  0.00           O  
HETATM   21  CA  UNL     1       7.504  -0.593   2.675  1.00  0.00           C  
HETATM   22  C   UNL     1       7.262  -0.996   1.380  1.00  0.00           C  
HETATM   23  C   UNL     1       6.025  -1.682   1.379  1.00  0.00           C  
HETATM   24  N   UNL     1       6.453  -1.013   3.449  1.00  0.00           N  
HETATM   25  N   UNL     1       5.581  -1.773  -1.020  1.00  0.00           N  
HETATM   26 CL   UNL     1       1.011  -4.379   3.815  1.00  0.00          Cl  
HETATM   27  C   UNL     1      12.386   0.283   4.363  1.00  0.00           C  
HETATM   28  F   UNL     1      14.896  -2.340   4.205  1.00  0.00           F  
HETATM   29  C   UNL     1      13.458  -1.503   2.507  1.00  0.00           C  
HETATM   30 CL   UNL     1      14.115  -2.602   1.357  1.00  0.00          Cl  
HETATM   31  C   UNL     1      12.451  -0.617   2.122  1.00  0.00           C  
HETATM   32  H   UNL     1       4.644  -2.087   3.104  1.00  0.00           H  
HETATM   33  H   UNL     1       4.824  -2.425  -2.787  1.00  0.00           H  
HETATM   34  H   UNL     1       3.602  -4.320  -1.593  1.00  0.00           H  
HETATM   35  H   UNL     1       5.772  -5.617   1.144  1.00  0.00           H  
HETATM   36  H   UNL     1       4.972  -7.061   2.978  1.00  0.00           H  
HETATM   37  H   UNL     1       2.874  -6.526   4.165  1.00  0.00           H  
HETATM   38  H   UNL     1       2.345  -3.058   1.668  1.00  0.00           H  
HETATM   39  H   UNL     1      13.760  -0.596   5.770  1.00  0.00           H  
HETATM   40  H   UNL     1      10.283   3.235   0.243  1.00  0.00           H  
HETATM   41  H1  UNL     1      12.143   2.754   1.805  1.00  0.00           H  
HETATM   42  H2  UNL     1      11.538   1.596   0.597  1.00  0.00           H  
HETATM   43  HA  UNL     1      10.549   1.841   3.499  1.00  0.00           H  
HETATM   44  H   UNL     1       9.554   0.205   1.310  1.00  0.00           H  
HETATM   45  H   UNL     1       7.910  -0.813   0.534  1.00  0.00           H  
HETATM   46  H   UNL     1       6.360  -0.858   4.443  1.00  0.00           H  
HETATM   47  H   UNL     1      11.975   0.976   5.093  1.00  0.00           H  
HETATM   48  H   UNL     1      12.080  -0.619   1.100  1.00  0.00           H  
CONECT    1   24   23   23   32                                       
CONECT    2   23   25   25    5                                       
CONECT    3   25    4   33                                            
CONECT    4    3    5    5   34                                       
CONECT    5    2    4    4    6                                       
CONECT    6    5   11    7    7                                       
CONECT    7    6    6    8   35                                       
CONECT    8    7    9    9   36                                       
CONECT    9    8    8   10   37                                       
CONECT   10    9   26   11   11                                       
CONECT   11    6   10   10   38                                       
CONECT   12   31   31   27   17                                       
CONECT   13   14   27   27   39                                       
CONECT   14   13   28   29   29                                       
CONECT   15   16   40                                                 
CONECT   16   15   17   41   42                                       
CONECT   17   12   16   18   43                                       
CONECT   18   17   19   44                                            
CONECT   19   18   20   20   21                                       
CONECT   20   19   19                                                 
CONECT   21   19   24   22   22                                       
CONECT   22   21   21   23   45                                       
CONECT   23    1    1    2   22                                       
CONECT   24    1   21   46                                            
CONECT   25    2    2    3                                            
CONECT   26   10                                                      
CONECT   27   12   13   13   47                                       
CONECT   28   14                                                      
CONECT   29   14   14   30   31                                       
CONECT   30   29                                                      
CONECT   31   12   12   29   48                                       
CONECT   32    1                                                      
CONECT   33    3                                                      
CONECT   34    4                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38   11                                                      
CONECT   39   13                                                      
CONECT   40   15                                                      
CONECT   41   16                                                      
CONECT   42   16                                                      
CONECT   43   17                                                      
CONECT   44   18                                                      
CONECT   45   22                                                      
CONECT   46   24                                                      
CONECT   47   27                                                      
CONECT   48   31                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
