COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.739   1.618  -1.181  1.00  0.00           C  
HETATM    2  C   UNL     1       5.648   1.243   2.168  1.00  0.00           C  
HETATM    3  C   UNL     1       4.859   0.474   1.333  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.205  -1.126  -0.049  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.196  -0.185  -0.034  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.953   0.691   0.581  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.605  -0.430  -0.354  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.902   0.337  -0.623  1.00  0.00           C  
HETATM    9  C   UNL     1      -8.668   1.598  -1.066  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.969  -0.621   0.294  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.812  -1.419   0.342  1.00  0.00           N  
HETATM   12  S   UNL     1      -3.512   1.367   0.431  1.00  0.00           S  
HETATM   13  C   UNL     1       0.453  -1.008   0.003  1.00  0.00           C  
HETATM   14  C   UNL     1       1.300  -2.118   0.197  1.00  0.00           C  
HETATM   15  C   UNL     1       0.454  -3.207   0.671  1.00  0.00           C  
HETATM   16  C   UNL     1       2.232   0.286  -0.691  1.00  0.00           C  
HETATM   17  C   UNL     1       3.132  -0.765  -0.523  1.00  0.00           C  
HETATM   18  C   UNL     1       2.668  -1.991  -0.072  1.00  0.00           C  
HETATM   19  C   UNL     1       7.289   1.455   0.434  1.00  0.00           C  
HETATM   20  C   UNL     1       6.861   1.733   1.719  1.00  0.00           C  
HETATM   21  C   UNL     1      -8.828   0.338   0.607  1.00  0.00           C  
HETATM   22  C   UNL     1       5.286   0.193   0.040  1.00  0.00           C  
HETATM   23  C   UNL     1       6.506   0.687  -0.407  1.00  0.00           C  
HETATM   24  F   UNL     1       3.674  -0.004   1.773  1.00  0.00           F  
HETATM   25  N   UNL     1      -0.766  -2.757   0.747  1.00  0.00           N  
HETATM   26  N   UNL     1       0.952   0.142  -0.431  1.00  0.00           N  
HETATM   27  N   UNL     1       4.491  -0.585  -0.808  1.00  0.00           N  
HETATM   28  N   UNL     1      -6.493   0.582  -0.304  1.00  0.00           N  
HETATM   29  O   UNL     1      -5.972  -1.548  -0.664  1.00  0.00           O  
HETATM   30  O   UNL     1      -9.002   1.746   0.329  1.00  0.00           O  
HETATM   31 CL   UNL     1       7.044   0.340  -2.020  1.00  0.00          Cl  
HETATM   32  H   UNL     1       3.025   2.234  -0.328  1.00  0.00           H  
HETATM   33  H   UNL     1       3.605   1.463  -1.824  1.00  0.00           H  
HETATM   34  H   UNL     1       1.953   2.121  -1.744  1.00  0.00           H  
HETATM   35  H   UNL     1       5.315   1.466   3.171  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.374  -2.162  -0.301  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.071   1.245   0.868  1.00  0.00           H  
HETATM   38  H   UNL     1      -8.046  -0.520  -1.282  1.00  0.00           H  
HETATM   39  H   UNL     1      -8.027   2.390  -1.452  1.00  0.00           H  
HETATM   40  H   UNL     1      -9.525   1.391  -1.707  1.00  0.00           H  
HETATM   41  H   UNL     1       0.782  -4.206   0.920  1.00  0.00           H  
HETATM   42  H   UNL     1       3.342  -2.824   0.068  1.00  0.00           H  
HETATM   43  H   UNL     1       8.237   1.839   0.086  1.00  0.00           H  
HETATM   44  H   UNL     1       7.475   2.333   2.373  1.00  0.00           H  
HETATM   45  H   UNL     1      -9.735  -0.253   0.477  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.315   0.130   1.546  1.00  0.00           H  
HETATM   47  H   UNL     1       4.881  -1.000  -1.593  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.200   1.473  -0.056  1.00  0.00           H  
CONECT    1   16   32   33   34                                       
CONECT    2   20   20    3   35                                       
CONECT    3    2   24   22   22                                       
CONECT    4   10    5    5   36                                       
CONECT    5    4    4    7   12                                       
CONECT    6   10   10   12   37                                       
CONECT    7   28    5   29   29                                       
CONECT    8   21    9   28   38                                       
CONECT    9   30    8   39   40                                       
CONECT   10   11    4    6    6                                       
CONECT   11   25   13   10                                            
CONECT   12    5    6                                                 
CONECT   13   14   11   26   26                                       
CONECT   14   18   18   15   13                                       
CONECT   15   14   25   25   41                                       
CONECT   16   17   17   26    1                                       
CONECT   17   27   18   16   16                                       
CONECT   18   14   14   17   42                                       
CONECT   19   20   23   23   43                                       
CONECT   20    2    2   19   44                                       
CONECT   21   30    8   45   46                                       
CONECT   22    3    3   23   27                                       
CONECT   23   19   19   22   31                                       
CONECT   24    3                                                      
CONECT   25   15   15   11                                            
CONECT   26   13   13   16                                            
CONECT   27   22   17   47                                            
CONECT   28    8    7   48                                            
CONECT   29    7    7                                                 
CONECT   30   21    9                                                 
CONECT   31   23                                                      
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    1                                                      
CONECT   35    2                                                      
CONECT   36    4                                                      
CONECT   37    6                                                      
CONECT   38    8                                                      
CONECT   39    9                                                      
CONECT   40    9                                                      
CONECT   41   15                                                      
CONECT   42   18                                                      
CONECT   43   19                                                      
CONECT   44   20                                                      
CONECT   45   21                                                      
CONECT   46   21                                                      
CONECT   47   27                                                      
CONECT   48   28                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
