COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.960  -0.710   0.969  1.00  0.00           N  
HETATM    2  C   UNL     1      -2.133  -0.943   1.819  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.701  -1.039   3.283  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.055   0.283   3.706  1.00  0.00           C  
HETATM    5  O   UNL     1      -2.026   1.330   3.649  1.00  0.00           O  
HETATM    6  C   UNL     1       0.098   0.601   2.749  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.427   0.612   1.313  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.450  -0.622  -0.412  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.271  -0.379  -1.356  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.781  -0.287  -2.796  1.00  0.00           C  
HETATM   11  C   UNL     1       0.396  -0.044  -3.740  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.064  -0.017  -5.175  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.455   1.176  -5.752  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.879   1.202  -7.067  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.912   0.032  -7.807  1.00  0.00           C  
HETATM   16  F   UNL     1      -1.325   0.056  -9.093  1.00  0.00           F  
HETATM   17  C   UNL     1      -0.519  -1.162  -7.228  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.091  -1.185  -5.914  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.528   0.161   5.112  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.473   1.274   5.929  1.00  0.00           C  
HETATM   21  C   UNL     1       0.009   1.163   7.219  1.00  0.00           C  
HETATM   22  C   UNL     1       0.438  -0.064   7.693  1.00  0.00           C  
HETATM   23 CL   UNL     1       1.045  -0.205   9.314  1.00  0.00          Cl  
HETATM   24  C   UNL     1       0.383  -1.178   6.875  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.104  -1.066   5.587  1.00  0.00           C  
HETATM   26  S   UNL     1       1.274   1.511  -3.305  1.00  0.00           S  
HETATM   27  C   UNL     1       2.656   0.914  -2.256  1.00  0.00           C  
HETATM   28  C   UNL     1       3.176  -0.361  -2.963  1.00  0.00           C  
HETATM   29  S   UNL     1       1.704  -1.307  -3.493  1.00  0.00           S  
HETATM   30  H   UNL     1      -2.617  -1.873   1.521  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.834  -0.117   1.701  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.980  -1.849   3.398  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.572  -1.235   3.908  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.578   2.142   3.922  1.00  0.00           H  
HETATM   35  H   UNL     1       0.513   1.579   2.992  1.00  0.00           H  
HETATM   36  H   UNL     1       0.873  -0.158   2.848  1.00  0.00           H  
HETATM   37  H   UNL     1       0.384   0.864   0.631  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.219   1.356   1.222  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.945  -1.555  -0.682  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.158   0.201  -0.494  1.00  0.00           H  
HETATM   41  H   UNL     1       0.224   0.553  -1.087  1.00  0.00           H  
HETATM   42  H   UNL     1       0.436  -1.203  -1.274  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.277  -1.220  -3.066  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.489   0.536  -2.878  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.430   2.088  -5.175  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.186   2.134  -7.518  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.544  -2.076  -7.803  1.00  0.00           H  
HETATM   48  H   UNL     1       0.215  -2.117  -5.462  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.808   2.232   5.559  1.00  0.00           H  
HETATM   50  H   UNL     1       0.053   2.033   7.857  1.00  0.00           H  
HETATM   51  H   UNL     1       0.717  -2.136   7.245  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.147  -1.936   4.948  1.00  0.00           H  
HETATM   53  H   UNL     1       3.443   1.665  -2.204  1.00  0.00           H  
HETATM   54  H   UNL     1       2.295   0.672  -1.256  1.00  0.00           H  
HETATM   55  H   UNL     1       3.776  -0.088  -3.831  1.00  0.00           H  
HETATM   56  H   UNL     1       3.771  -0.956  -2.270  1.00  0.00           H  
CONECT    1    2    7    8                                            
CONECT    2    1    3   30   31                                       
CONECT    3    2    4   32   33                                       
CONECT    4    3    5    6   19                                       
CONECT    5    4   34                                                 
CONECT    6    4    7   35   36                                       
CONECT    7    1    6   37   38                                       
CONECT    8    1    9   39   40                                       
CONECT    9    8   10   41   42                                       
CONECT   10    9   11   43   44                                       
CONECT   11   10   12   26   29                                       
CONECT   12   11   13   13   18                                       
CONECT   13   12   12   14   45                                       
CONECT   14   13   15   15   46                                       
CONECT   15   14   14   16   17                                       
CONECT   16   15                                                      
CONECT   17   15   18   18   47                                       
CONECT   18   12   17   17   48                                       
CONECT   19    4   20   20   25                                       
CONECT   20   19   19   21   49                                       
CONECT   21   20   22   22   50                                       
CONECT   22   21   21   23   24                                       
CONECT   23   22                                                      
CONECT   24   22   25   25   51                                       
CONECT   25   19   24   24   52                                       
CONECT   26   11   27                                                 
CONECT   27   26   28   53   54                                       
CONECT   28   27   29   55   56                                       
CONECT   29   11   28                                                 
CONECT   30    2                                                      
CONECT   31    2                                                      
CONECT   32    3                                                      
CONECT   33    3                                                      
CONECT   34    5                                                      
CONECT   35    6                                                      
CONECT   36    6                                                      
CONECT   37    7                                                      
CONECT   38    7                                                      
CONECT   39    8                                                      
CONECT   40    8                                                      
CONECT   41    9                                                      
CONECT   42    9                                                      
CONECT   43   10                                                      
CONECT   44   10                                                      
CONECT   45   13                                                      
CONECT   46   14                                                      
CONECT   47   17                                                      
CONECT   48   18                                                      
CONECT   49   20                                                      
CONECT   50   21                                                      
CONECT   51   24                                                      
CONECT   52   25                                                      
CONECT   53   27                                                      
CONECT   54   27                                                      
CONECT   55   28                                                      
CONECT   56   28                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
