COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.282   1.874  -0.206  1.00  0.00           C  
HETATM    2  C   UNL     1       4.249   0.716   0.740  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.533   1.284  -0.308  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.335  -1.081   0.086  1.00  0.00           C  
HETATM    5  C   UNL     1       5.525   0.937  -1.270  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.695   0.509  -0.048  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.896  -0.619   0.160  1.00  0.00           C  
HETATM    8  C   UNL     1       5.125   1.450  -0.051  1.00  0.00           C  
HETATM    9  C   UNL     1      -8.389  -0.068  -0.143  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.291   0.286  -0.082  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.121   0.386  -0.067  1.00  0.00           C  
HETATM   12  C   UNL     1       1.071   0.755  -0.006  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.718   0.163  -0.101  1.00  0.00           C  
HETATM   14  C   UNL     1       0.486  -0.491   0.177  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.094   1.761  -0.225  1.00  0.00           C  
HETATM   16  C   UNL     1       3.807  -0.509   0.273  1.00  0.00           C  
HETATM   17  C   UNL     1       4.247  -0.959  -0.966  1.00  0.00           C  
HETATM   18  C   UNL     1       4.308  -2.566  -2.715  1.00  0.00           C  
HETATM   19  N   UNL     1       5.077  -0.230  -1.692  1.00  0.00           N  
HETATM   20  N   UNL     1      -7.844   1.128  -0.319  1.00  0.00           N  
HETATM   21  N   UNL     1      -7.654  -1.151   0.061  1.00  0.00           N  
HETATM   22  N   UNL     1      -9.768  -0.186  -0.161  1.00  0.00           N  
HETATM   23  N   UNL     1       1.291  -1.618   0.379  1.00  0.00           N  
HETATM   24  O   UNL     1       3.262  -2.790   1.291  1.00  0.00           O  
HETATM   25  O   UNL     1       2.397  -0.722   2.395  1.00  0.00           O  
HETATM   26  O   UNL     1       3.820  -2.159  -1.435  1.00  0.00           O  
HETATM   27  F   UNL     1      -1.860   2.857  -0.415  1.00  0.00           F  
HETATM   28  F   UNL     1      -1.467  -1.830   0.344  1.00  0.00           F  
HETATM   29  S   UNL     1       2.702  -1.486   1.236  1.00  0.00           S  
HETATM   30 CL   UNL     1       5.710   2.993   0.487  1.00  0.00          Cl  
HETATM   31  H   UNL     1       0.744   2.841  -0.344  1.00  0.00           H  
HETATM   32  H   UNL     1       3.925   1.091   1.699  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.096   2.261  -0.452  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.742  -1.968   0.253  1.00  0.00           H  
HETATM   35  H   UNL     1       6.202   1.505  -1.891  1.00  0.00           H  
HETATM   36  H   UNL     1       2.147   0.851   0.007  1.00  0.00           H  
HETATM   37  H   UNL     1       4.010  -1.835  -3.466  1.00  0.00           H  
HETATM   38  H   UNL     1       5.396  -2.633  -2.684  1.00  0.00           H  
HETATM   39  H   UNL     1       3.891  -3.540  -2.970  1.00  0.00           H  
HETATM   40  H   UNL     1     -10.320   0.599  -0.301  1.00  0.00           H  
HETATM   41  H   UNL     1     -10.182  -1.054  -0.034  1.00  0.00           H  
HETATM   42  H   UNL     1       1.022  -2.477   0.018  1.00  0.00           H  
CONECT    1   12   15   15   31                                       
CONECT    2    8   16   16   32                                       
CONECT    3   13   13   20   33                                       
CONECT    4   13   21   21   34                                       
CONECT    5    8    8   19   35                                       
CONECT    6    7    7   15   11                                       
CONECT    7   14   28    6    6                                       
CONECT    8   30    5    5    2                                       
CONECT    9   20   20   21   22                                       
CONECT   10   11   11   11   13                                       
CONECT   11    6   10   10   10                                       
CONECT   12   14   14    1   36                                       
CONECT   13   10    3    3    4                                       
CONECT   14   23   12   12    7                                       
CONECT   15    1    1    6   27                                       
CONECT   16    2    2   17   29                                       
CONECT   17   19   19   16   26                                       
CONECT   18   26   37   38   39                                       
CONECT   19    5   17   17                                            
CONECT   20    3    9    9                                            
CONECT   21    4    4    9                                            
CONECT   22    9   40   41                                            
CONECT   23   29   14   42                                            
CONECT   24   29   29                                                 
CONECT   25   29   29                                                 
CONECT   26   17   18                                                 
CONECT   27   15                                                      
CONECT   28    7                                                      
CONECT   29   25   25   24   24                                       
CONECT   29   16   23                                                 
CONECT   30    8                                                      
CONECT   31    1                                                      
CONECT   32    2                                                      
CONECT   33    3                                                      
CONECT   34    4                                                      
CONECT   35    5                                                      
CONECT   36   12                                                      
CONECT   37   18                                                      
CONECT   38   18                                                      
CONECT   39   18                                                      
CONECT   40   22                                                      
CONECT   41   22                                                      
CONECT   42   23                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
