COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.726  -0.091  -1.523  1.00  0.00           C  
HETATM    2  N   UNL     1       6.491  -0.449  -1.222  1.00  0.00           N1+
HETATM    3  C   UNL     1       6.145  -0.777   0.008  1.00  0.00           C  
HETATM    4  C   UNL     1       7.075  -0.766   1.031  1.00  0.00           C  
HETATM    5  C   UNL     1       8.381  -0.396   0.752  1.00  0.00           C  
HETATM    6  C   UNL     1       8.707  -0.053  -0.551  1.00  0.00           C  
HETATM    7  C   UNL     1       4.722  -1.177   0.300  1.00  0.00           C  
HETATM    8  C   UNL     1       3.805   0.037   0.128  1.00  0.00           C  
HETATM    9  F   UNL     1       4.330  -2.186  -0.586  1.00  0.00           F  
HETATM   10  F   UNL     1       4.629  -1.648   1.614  1.00  0.00           F  
HETATM   11  N   UNL     1       2.442  -0.321   0.527  1.00  0.00           N  
HETATM   12  C   UNL     1       1.426   0.626   0.457  1.00  0.00           C  
HETATM   13  C   UNL     1       0.057   0.277   0.848  1.00  0.00           C  
HETATM   14  N   UNL     1      -0.898   1.230   0.769  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.560   2.473   0.322  1.00  0.00           C  
HETATM   16  C   UNL     1       0.713   2.758  -0.036  1.00  0.00           C  
HETATM   17  N   UNL     1       1.680   1.846   0.033  1.00  0.00           N  
HETATM   18  C   UNL     1      -2.279   0.930   1.155  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.037   0.424  -0.046  1.00  0.00           C  
HETATM   20  N   UNL     1      -4.335   0.083   0.071  1.00  0.00           N  
HETATM   21  C   UNL     1      -5.072  -0.408  -1.096  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.493  -0.717  -0.699  1.00  0.00           C  
HETATM   23  C   UNL     1      -7.515   0.137  -1.070  1.00  0.00           C  
HETATM   24  C   UNL     1      -8.818  -0.146  -0.707  1.00  0.00           C  
HETATM   25  C   UNL     1      -9.101  -1.283   0.027  1.00  0.00           C  
HETATM   26  C   UNL     1      -8.081  -2.138   0.399  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.776  -1.858   0.031  1.00  0.00           C  
HETATM   28  O   UNL     1      -0.212  -0.845   1.244  1.00  0.00           O  
HETATM   29 CL   UNL     1      -1.779   3.704   0.209  1.00  0.00          Cl  
HETATM   30  O   UNL     1      -2.478   0.324  -1.118  1.00  0.00           O  
HETATM   31  F   UNL     1      -5.778  -2.694   0.394  1.00  0.00           F  
HETATM   32  O   UNL     1       5.512  -0.476  -2.245  1.00  0.00           O1-
HETATM   33  H   UNL     1       7.972   0.175  -2.541  1.00  0.00           H  
HETATM   34  H   UNL     1       6.786  -1.039   2.035  1.00  0.00           H  
HETATM   35  H   UNL     1       9.128  -0.376   1.532  1.00  0.00           H  
HETATM   36  H   UNL     1       9.716   0.240  -0.804  1.00  0.00           H  
HETATM   37  H   UNL     1       4.164   0.854   0.753  1.00  0.00           H  
HETATM   38  H   UNL     1       3.808   0.349  -0.916  1.00  0.00           H  
HETATM   39  H   UNL     1       2.247  -1.218   0.840  1.00  0.00           H  
HETATM   40  H   UNL     1       0.950   3.751  -0.388  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.282   0.167   1.933  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.756   1.835   1.531  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.782   0.163   0.929  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.070   0.354  -1.874  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.595  -1.313  -1.472  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.295   1.026  -1.643  1.00  0.00           H  
HETATM   47  H   UNL     1      -9.616   0.522  -0.997  1.00  0.00           H  
HETATM   48  H   UNL     1     -10.120  -1.503   0.311  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.303  -3.025   0.973  1.00  0.00           H  
CONECT    1    2    2    6   33                                       
CONECT    2    1    1    3   32                                       
CONECT    3    2    4    4    7                                       
CONECT    4    3    3    5   34                                       
CONECT    5    4    6    6   35                                       
CONECT    6    1    5    5   36                                       
CONECT    7    3    8    9   10                                       
CONECT    8    7   11   37   38                                       
CONECT    9    7                                                      
CONECT   10    7                                                      
CONECT   11    8   12   39                                            
CONECT   12   11   13   17   17                                       
CONECT   13   12   14   28   28                                       
CONECT   14   13   15   18                                            
CONECT   15   14   16   16   29                                       
CONECT   16   15   15   17   40                                       
CONECT   17   12   12   16                                            
CONECT   18   14   19   41   42                                       
CONECT   19   18   20   30   30                                       
CONECT   20   19   21   43                                            
CONECT   21   20   22   44   45                                       
CONECT   22   21   23   27   27                                       
CONECT   23   22   24   24   46                                       
CONECT   24   23   23   25   47                                       
CONECT   25   24   26   26   48                                       
CONECT   26   25   25   27   49                                       
CONECT   27   22   22   26   31                                       
CONECT   28   13   13                                                 
CONECT   29   15                                                      
CONECT   30   19   19                                                 
CONECT   31   27                                                      
CONECT   32    2                                                      
CONECT   33    1                                                      
CONECT   34    4                                                      
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37    8                                                      
CONECT   38    8                                                      
CONECT   39   11                                                      
CONECT   40   16                                                      
CONECT   41   18                                                      
CONECT   42   18                                                      
CONECT   43   20                                                      
CONECT   44   21                                                      
CONECT   45   21                                                      
CONECT   46   23                                                      
CONECT   47   24                                                      
CONECT   48   25                                                      
CONECT   49   26                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
