COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.262   5.692  -1.807  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.944   3.865  -0.292  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.220   3.061  -0.322  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.812   2.728   0.798  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.081   1.917   0.793  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.754   0.438   1.024  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.178  -0.392  -0.184  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.050  -2.831  -1.400  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.716  -3.220   0.637  1.00  0.00           C  
HETATM   10  C   UNL     1       0.120  -1.783   1.215  1.00  0.00           C  
HETATM   11  C   UNL     1       2.726   0.720   1.722  1.00  0.00           C  
HETATM   12  C   UNL     1       5.365   0.102   0.735  1.00  0.00           C  
HETATM   13  C   UNL     1       6.647  -0.146   0.271  1.00  0.00           C  
HETATM   14  C   UNL     1       6.860  -1.101  -0.704  1.00  0.00           C  
HETATM   15  C   UNL     1       5.782  -1.799  -1.221  1.00  0.00           C  
HETATM   16  C   UNL     1       4.510  -1.554  -0.750  1.00  0.00           C  
HETATM   17  C   UNL     1       4.293  -0.601   0.240  1.00  0.00           C  
HETATM   18  C   UNL     1       1.962  -0.210  -0.484  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.020   1.004  -1.148  1.00  0.00           C  
HETATM   20  C   UNL     1       0.099   2.509  -0.950  1.00  0.00           C  
HETATM   21  O   UNL     1      -1.686   4.403  -1.587  1.00  0.00           O  
HETATM   22  C   UNL     1      -3.258   0.287   1.290  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.340  -0.030  -1.409  1.00  0.00           C  
HETATM   24  S   UNL     1      -5.040  -2.161   0.165  1.00  0.00           S  
HETATM   25  O   UNL     1      -6.342  -2.749   0.217  1.00  0.00           O  
HETATM   26  O   UNL     1      -4.107  -2.426   1.198  1.00  0.00           O  
HETATM   27  N   UNL     1      -4.363  -2.813  -1.204  1.00  0.00           N  
HETATM   28  O   UNL     1      -2.696  -3.248  -2.504  1.00  0.00           O  
HETATM   29  C   UNL     1      -1.967  -2.439  -0.512  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.677  -2.888   1.475  1.00  0.00           C  
HETATM   31  O   UNL     1       1.172  -1.503   2.031  1.00  0.00           O  
HETATM   32  C   UNL     1       2.460  -1.718   1.434  1.00  0.00           C  
HETATM   33  C   UNL     1       2.876  -0.414   0.722  1.00  0.00           C  
HETATM   34  C   UNL     1       3.794   1.795   1.564  1.00  0.00           C  
HETATM   35  C   UNL     1       5.173   1.169   1.784  1.00  0.00           C  
HETATM   36 CL   UNL     1       8.467  -1.421  -1.277  1.00  0.00          Cl  
HETATM   37  N   UNL     1       0.612   0.215  -0.078  1.00  0.00           N  
HETATM   38  C   UNL     1       1.530   2.932  -0.571  1.00  0.00           C  
HETATM   39  C   UNL     1       1.324   3.976   0.540  1.00  0.00           C  
HETATM   40  O   UNL     1       0.028   3.757   1.094  1.00  0.00           O  
HETATM   41  C   UNL     1      -0.789   2.998   0.197  1.00  0.00           C  
HETATM   42  C   UNL     1      -0.156  -0.958   0.123  1.00  0.00           C  
HETATM   43  C   UNL     1      -1.143  -1.342  -0.763  1.00  0.00           C  
HETATM   44  H   UNL     1      -2.019   6.031  -2.814  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.344   5.629  -1.695  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.861   6.398  -1.079  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.081   4.701   0.409  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.645   2.769  -1.272  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.387   3.053   1.739  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.728   2.263   1.605  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.606   2.045  -0.149  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.308   0.090   1.902  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.230  -0.161  -0.407  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.334  -4.080   0.848  1.00  0.00           H  
HETATM   55  H   UNL     1       1.740   1.176   1.607  1.00  0.00           H  
HETATM   56  H   UNL     1       2.793   0.307   2.735  1.00  0.00           H  
HETATM   57  H   UNL     1       7.481   0.411   0.672  1.00  0.00           H  
HETATM   58  H   UNL     1       5.938  -2.539  -1.993  1.00  0.00           H  
HETATM   59  H   UNL     1       3.674  -2.106  -1.155  1.00  0.00           H  
HETATM   60  H   UNL     1       2.382   0.544  -1.141  1.00  0.00           H  
HETATM   61  H   UNL     1       1.862  -1.151  -1.026  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.088   0.773  -1.161  1.00  0.00           H  
HETATM   63  H   UNL     1       0.425   0.727  -2.099  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.172   3.005  -1.891  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.986   0.864   2.174  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.023  -0.764   1.455  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.697   0.654   0.431  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.695  -0.593  -2.272  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.431   1.038  -1.609  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.295  -0.276  -1.220  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.954  -3.203  -1.883  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.481  -3.496   2.348  1.00  0.00           H  
HETATM   73  H   UNL     1       3.188  -1.964   2.204  1.00  0.00           H  
HETATM   74  H   UNL     1       2.397  -2.530   0.710  1.00  0.00           H  
HETATM   75  H   UNL     1       3.751   2.222   0.563  1.00  0.00           H  
HETATM   76  H   UNL     1       3.634   2.582   2.301  1.00  0.00           H  
HETATM   77  H   UNL     1       5.221   0.726   2.774  1.00  0.00           H  
HETATM   78  H   UNL     1       5.940   1.931   1.675  1.00  0.00           H  
HETATM   79  H   UNL     1       2.093   2.084  -0.189  1.00  0.00           H  
HETATM   80  H   UNL     1       2.040   3.377  -1.425  1.00  0.00           H  
HETATM   81  H   UNL     1       2.082   3.844   1.311  1.00  0.00           H  
HETATM   82  H   UNL     1       1.387   4.981   0.128  1.00  0.00           H  
HETATM   83  H   UNL     1      -1.188   2.132   0.737  1.00  0.00           H  
HETATM   84  H   UNL     1      -1.272  -0.815  -1.700  1.00  0.00           H  
CONECT    1   21   44   45   46                                       
CONECT    2   21    3   41   47                                       
CONECT    3    4    4    2   48                                       
CONECT    4    5    3    3   49                                       
CONECT    5    4    6   50   51                                       
CONECT    6    7    5   22   52                                       
CONECT    7   23   24    6   53                                       
CONECT    8   28   28   27   29                                       
CONECT    9   29   30   30   54                                       
CONECT   10   42   42   30   31                                       
CONECT   11   34   33   55   56                                       
CONECT   12   35   17   17   13                                       
CONECT   13   12   14   14   57                                       
CONECT   14   13   13   15   36                                       
CONECT   15   16   16   14   58                                       
CONECT   16   17   15   15   59                                       
CONECT   17   33   12   12   16                                       
CONECT   18   37   33   60   61                                       
CONECT   19   20   37   62   63                                       
CONECT   20   41   19   38   64                                       
CONECT   21    1    2                                                 
CONECT   22    6   65   66   67                                       
CONECT   23    7   68   69   70                                       
CONECT   24   26   26    7   25                                       
CONECT   24   25   27                                                 
CONECT   25   24   24                                                 
CONECT   26   24   24                                                 
CONECT   27   24    8   71                                            
CONECT   28    8    8                                                 
CONECT   29    8   43   43    9                                       
CONECT   30    9    9   10   72                                       
CONECT   31   10   32                                                 
CONECT   32   33   31   73   74                                       
CONECT   33   11   18   32   17                                       
CONECT   34   11   35   75   76                                       
CONECT   35   34   12   77   78                                       
CONECT   36   14                                                      
CONECT   37   19   42   18                                            
CONECT   38   20   39   79   80                                       
CONECT   39   40   38   81   82                                       
CONECT   40   41   39                                                 
CONECT   41    2   40   20   83                                       
CONECT   42   43   37   10   10                                       
CONECT   43   29   29   42   84                                       
CONECT   44    1                                                      
CONECT   45    1                                                      
CONECT   46    1                                                      
CONECT   47    2                                                      
CONECT   48    3                                                      
CONECT   49    4                                                      
CONECT   50    5                                                      
CONECT   51    5                                                      
CONECT   52    6                                                      
CONECT   53    7                                                      
CONECT   54    9                                                      
CONECT   55   11                                                      
CONECT   56   11                                                      
CONECT   57   13                                                      
CONECT   58   15                                                      
CONECT   59   16                                                      
CONECT   60   18                                                      
CONECT   61   18                                                      
CONECT   62   19                                                      
CONECT   63   19                                                      
CONECT   64   20                                                      
CONECT   65   22                                                      
CONECT   66   22                                                      
CONECT   67   22                                                      
CONECT   68   23                                                      
CONECT   69   23                                                      
CONECT   70   23                                                      
CONECT   71   27                                                      
CONECT   72   30                                                      
CONECT   73   32                                                      
CONECT   74   32                                                      
CONECT   75   34                                                      
CONECT   76   34                                                      
CONECT   77   35                                                      
CONECT   78   35                                                      
CONECT   79   38                                                      
CONECT   80   38                                                      
CONECT   81   39                                                      
CONECT   82   39                                                      
CONECT   83   41                                                      
CONECT   84   43                                                      
MASTER        0    0    0    0    0    0    0    0   84    0   84    0
END
