COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.723  -0.439  -1.329  1.00  0.00           C  
HETATM    2  C   UNL     1      -7.666   0.462  -0.897  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.207   1.415  -0.075  1.00  0.00           C  
HETATM    4 CL   UNL     1      -8.183   2.674   0.615  1.00  0.00          Cl  
HETATM    5  S   UNL     1      -5.535   1.225   0.204  1.00  0.00           S  
HETATM    6  C   UNL     1      -5.473  -0.193  -0.833  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.275  -0.984  -1.120  1.00  0.00           C  
HETATM    8  O   UNL     1      -4.346  -1.952  -1.856  1.00  0.00           O  
HETATM    9  N   UNL     1      -3.093  -0.642  -0.569  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.894  -1.434  -0.856  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.698  -0.836  -0.112  1.00  0.00           C  
HETATM   12  C   UNL     1       0.554  -1.582  -0.493  1.00  0.00           C  
HETATM   13  O   UNL     1       1.293  -1.133  -1.344  1.00  0.00           O  
HETATM   14  N   UNL     1       0.853  -2.749   0.111  1.00  0.00           N  
HETATM   15  C   UNL     1       2.011  -3.548  -0.320  1.00  0.00           C  
HETATM   16  C   UNL     1       1.545  -4.986  -0.567  1.00  0.00           C  
HETATM   17  N   UNL     1       0.856  -5.487   0.630  1.00  0.00           N  
HETATM   18  C   UNL     1       0.545  -6.917   0.499  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.357  -4.708   0.912  1.00  0.00           C  
HETATM   20  C   UNL     1       0.034  -3.255   1.223  1.00  0.00           C  
HETATM   21  N   UNL     1      -0.554   0.576  -0.474  1.00  0.00           N  
HETATM   22  S   UNL     1      -0.072   1.678   0.664  1.00  0.00           S  
HETATM   23  O   UNL     1      -0.009   2.935   0.005  1.00  0.00           O  
HETATM   24  O   UNL     1      -0.872   1.443   1.814  1.00  0.00           O  
HETATM   25  C   UNL     1       1.581   1.270   1.116  1.00  0.00           C  
HETATM   26  C   UNL     1       2.597   1.369   0.183  1.00  0.00           C  
HETATM   27 CL   UNL     1       2.243   1.895  -1.433  1.00  0.00          Cl  
HETATM   28  C   UNL     1       1.863   0.858   2.405  1.00  0.00           C  
HETATM   29  C   UNL     1       3.161   0.537   2.765  1.00  0.00           C  
HETATM   30  F   UNL     1       3.433   0.133   4.025  1.00  0.00           F  
HETATM   31  C   UNL     1       4.180   0.628   1.834  1.00  0.00           C  
HETATM   32  C   UNL     1       3.901   1.048   0.540  1.00  0.00           C  
HETATM   33  N   UNL     1       4.930   1.146  -0.403  1.00  0.00           N  
HETATM   34  C   UNL     1       5.228  -0.027  -1.215  1.00  0.00           C  
HETATM   35  C   UNL     1       6.009   0.372  -2.467  1.00  0.00           C  
HETATM   36  C   UNL     1       7.202   1.239  -2.045  1.00  0.00           C  
HETATM   37  C   UNL     1       6.667   2.566  -1.503  1.00  0.00           C  
HETATM   38  C   UNL     1       5.574   2.309  -0.506  1.00  0.00           C  
HETATM   39  O   UNL     1       5.263   3.207   0.248  1.00  0.00           O  
HETATM   40  H   UNL     1      -6.948  -1.262  -1.992  1.00  0.00           H  
HETATM   41  H   UNL     1      -8.702   0.406  -1.199  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.037   0.129   0.017  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.050  -2.461  -0.527  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.699  -1.421  -1.928  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.860  -0.921   0.962  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.742   0.866  -1.381  1.00  0.00           H  
HETATM   47  H   UNL     1       2.420  -3.132  -1.241  1.00  0.00           H  
HETATM   48  H   UNL     1       2.773  -3.539   0.460  1.00  0.00           H  
HETATM   49  H   UNL     1       0.610  -3.218   2.148  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.864  -2.646   1.323  1.00  0.00           H  
HETATM   51  H   UNL     1       0.860  -5.007  -1.415  1.00  0.00           H  
HETATM   52  H   UNL     1       2.408  -5.617  -0.780  1.00  0.00           H  
HETATM   53  H   UNL     1       1.469  -7.479   0.367  1.00  0.00           H  
HETATM   54  H   UNL     1       0.035  -7.262   1.399  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.101  -7.071  -0.365  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.015  -4.732   0.043  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.873  -5.137   1.771  1.00  0.00           H  
HETATM   58  H   UNL     1       1.069   0.786   3.134  1.00  0.00           H  
HETATM   59  H   UNL     1       5.193   0.378   2.114  1.00  0.00           H  
HETATM   60  H   UNL     1       5.820  -0.730  -0.629  1.00  0.00           H  
HETATM   61  H   UNL     1       4.294  -0.507  -1.510  1.00  0.00           H  
HETATM   62  H   UNL     1       6.369  -0.523  -2.974  1.00  0.00           H  
HETATM   63  H   UNL     1       5.363   0.940  -3.136  1.00  0.00           H  
HETATM   64  H   UNL     1       7.771   0.728  -1.269  1.00  0.00           H  
HETATM   65  H   UNL     1       7.842   1.426  -2.907  1.00  0.00           H  
HETATM   66  H   UNL     1       7.478   3.114  -1.021  1.00  0.00           H  
HETATM   67  H   UNL     1       6.270   3.161  -2.326  1.00  0.00           H  
CONECT    1    2    6    6   40                                       
CONECT    2    1    3    3   41                                       
CONECT    3    2    2    4    5                                       
CONECT    4    3                                                      
CONECT    5    3    6                                                 
CONECT    6    1    1    5    7                                       
CONECT    7    6    8    8    9                                       
CONECT    8    7    7                                                 
CONECT    9    7   10   42                                            
CONECT   10    9   11   43   44                                       
CONECT   11   10   12   21   45                                       
CONECT   12   11   13   13   14                                       
CONECT   13   12   12                                                 
CONECT   14   12   15   20                                            
CONECT   15   14   16   47   48                                       
CONECT   16   15   17   51   52                                       
CONECT   17   16   18   19                                            
CONECT   18   17   53   54   55                                       
CONECT   19   17   20   56   57                                       
CONECT   20   14   19   49   50                                       
CONECT   21   11   22   46                                            
CONECT   22   21   23   23   24                                       
CONECT   22   24   25                                                 
CONECT   23   22   22                                                 
CONECT   24   22   22                                                 
CONECT   25   22   26   28   28                                       
CONECT   26   25   27   32   32                                       
CONECT   27   26                                                      
CONECT   28   25   25   29   58                                       
CONECT   29   28   30   31   31                                       
CONECT   30   29                                                      
CONECT   31   29   29   32   59                                       
CONECT   32   26   26   31   33                                       
CONECT   33   32   34   38                                            
CONECT   34   33   35   60   61                                       
CONECT   35   34   36   62   63                                       
CONECT   36   35   37   64   65                                       
CONECT   37   36   38   66   67                                       
CONECT   38   33   37   39   39                                       
CONECT   39   38   38                                                 
CONECT   40    1                                                      
CONECT   41    2                                                      
CONECT   42    9                                                      
CONECT   43   10                                                      
CONECT   44   10                                                      
CONECT   45   11                                                      
CONECT   46   21                                                      
CONECT   47   15                                                      
CONECT   48   15                                                      
CONECT   49   20                                                      
CONECT   50   20                                                      
CONECT   51   16                                                      
CONECT   52   16                                                      
CONECT   53   18                                                      
CONECT   54   18                                                      
CONECT   55   18                                                      
CONECT   56   19                                                      
CONECT   57   19                                                      
CONECT   58   28                                                      
CONECT   59   31                                                      
CONECT   60   34                                                      
CONECT   61   34                                                      
CONECT   62   35                                                      
CONECT   63   35                                                      
CONECT   64   36                                                      
CONECT   65   36                                                      
CONECT   66   37                                                      
CONECT   67   37                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
