COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.118   1.296  -2.501  1.00  0.00           C  
HETATM    2  O   UNL     1       7.734   0.212  -1.804  1.00  0.00           O  
HETATM    3  C   UNL     1       7.039  -0.331  -0.768  1.00  0.00           C  
HETATM    4  C   UNL     1       5.789   0.167  -0.435  1.00  0.00           C  
HETATM    5  C   UNL     1       7.578  -1.390  -0.045  1.00  0.00           C  
HETATM    6  O   UNL     1       8.802  -1.885  -0.372  1.00  0.00           O  
HETATM    7  C   UNL     1       9.293  -2.973   0.414  1.00  0.00           C  
HETATM    8  C   UNL     1       6.866  -1.939   1.009  1.00  0.00           C  
HETATM    9  C   UNL     1       5.623  -1.434   1.340  1.00  0.00           C  
HETATM   10  C   UNL     1       5.084  -0.385   0.618  1.00  0.00           C  
HETATM   11  C   UNL     1       3.726   0.157   0.980  1.00  0.00           C  
HETATM   12  C   UNL     1       2.650  -0.598   0.198  1.00  0.00           C  
HETATM   13  C   UNL     1       1.270  -0.047   0.565  1.00  0.00           C  
HETATM   14  C   UNL     1       0.204  -0.870  -0.111  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.473  -1.842   0.601  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.100  -0.649  -1.441  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.078  -1.402  -2.064  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.754  -2.378  -1.358  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.454  -2.599  -0.021  1.00  0.00           C  
HETATM   20  O   UNL     1      -2.121  -3.555   0.677  1.00  0.00           O  
HETATM   21  C   UNL     1      -3.119  -4.296  -0.029  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.747  -5.304   0.900  1.00  0.00           C  
HETATM   23  O   UNL     1      -4.716  -6.117   0.451  1.00  0.00           O  
HETATM   24  O   UNL     1      -3.378  -5.379   2.048  1.00  0.00           O  
HETATM   25  O   UNL     1       1.168   1.333   0.125  1.00  0.00           O  
HETATM   26  C   UNL     1       0.374   2.144   0.843  1.00  0.00           C  
HETATM   27  O   UNL     1      -0.215   1.714   1.806  1.00  0.00           O  
HETATM   28  C   UNL     1       0.218   3.589   0.447  1.00  0.00           C  
HETATM   29  C   UNL     1       0.535   4.488   1.646  1.00  0.00           C  
HETATM   30  C   UNL     1       0.241   5.944   1.280  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.243   6.097   0.941  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.581   5.217  -0.266  1.00  0.00           C  
HETATM   33  N   UNL     1      -1.167   3.837   0.023  1.00  0.00           N  
HETATM   34  C   UNL     1      -2.041   2.819  -0.096  1.00  0.00           C  
HETATM   35  O   UNL     1      -1.710   1.695   0.218  1.00  0.00           O  
HETATM   36  C   UNL     1      -3.431   3.076  -0.621  1.00  0.00           C  
HETATM   37  C   UNL     1      -4.223   3.884   0.409  1.00  0.00           C  
HETATM   38  C   UNL     1      -4.124   1.762  -0.870  1.00  0.00           C  
HETATM   39  S   UNL     1      -4.444   0.536   0.351  1.00  0.00           S  
HETATM   40  C   UNL     1      -5.215  -0.497  -0.845  1.00  0.00           C  
HETATM   41 CL   UNL     1      -5.895  -2.062  -0.525  1.00  0.00          Cl  
HETATM   42  C   UNL     1      -5.192   0.103  -2.037  1.00  0.00           C  
HETATM   43  C   UNL     1      -4.595   1.352  -2.049  1.00  0.00           C  
HETATM   44  H   UNL     1       7.777   1.635  -3.301  1.00  0.00           H  
HETATM   45  H   UNL     1       6.171   0.964  -2.926  1.00  0.00           H  
HETATM   46  H   UNL     1       6.937   2.118  -1.808  1.00  0.00           H  
HETATM   47  H   UNL     1       5.366   0.986  -0.997  1.00  0.00           H  
HETATM   48  H   UNL     1       9.371  -2.662   1.455  1.00  0.00           H  
HETATM   49  H   UNL     1       8.606  -3.816   0.337  1.00  0.00           H  
HETATM   50  H   UNL     1      10.275  -3.271   0.048  1.00  0.00           H  
HETATM   51  H   UNL     1       7.282  -2.762   1.572  1.00  0.00           H  
HETATM   52  H   UNL     1       5.068  -1.863   2.162  1.00  0.00           H  
HETATM   53  H   UNL     1       3.556   0.028   2.049  1.00  0.00           H  
HETATM   54  H   UNL     1       3.680   1.217   0.731  1.00  0.00           H  
HETATM   55  H   UNL     1       2.820  -0.469  -0.871  1.00  0.00           H  
HETATM   56  H   UNL     1       2.696  -1.658   0.447  1.00  0.00           H  
HETATM   57  H   UNL     1       1.136  -0.095   1.646  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.238  -2.012   1.642  1.00  0.00           H  
HETATM   59  H   UNL     1       0.428   0.114  -1.995  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.314  -1.227  -3.103  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.519  -2.965  -1.844  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.885  -3.614  -0.397  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.659  -4.815  -0.870  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.088  -6.746   1.084  1.00  0.00           H  
HETATM   65  H   UNL     1       0.898   3.819  -0.374  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.083   4.194   2.494  1.00  0.00           H  
HETATM   67  H   UNL     1       1.588   4.384   1.910  1.00  0.00           H  
HETATM   68  H   UNL     1       0.490   6.588   2.123  1.00  0.00           H  
HETATM   69  H   UNL     1       0.842   6.229   0.416  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.845   5.788   1.796  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.457   7.139   0.703  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.655   5.245  -0.451  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.049   5.583  -1.145  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.369   3.637  -1.553  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.666   4.783   0.671  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.188   4.164  -0.014  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.379   3.280   1.303  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.611  -0.349  -2.924  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.510   1.947  -2.946  1.00  0.00           H  
CONECT    1    2   44   45   46                                       
CONECT    2    1    3                                                 
CONECT    3    2    5    5    4                                       
CONECT    4    3   10   10   47                                       
CONECT    5    6    3    3    8                                       
CONECT    6    7    5                                                 
CONECT    7    6   48   49   50                                       
CONECT    8    5    9    9   51                                       
CONECT    9    8    8   10   52                                       
CONECT   10    4    4    9   11                                       
CONECT   11   12   10   53   54                                       
CONECT   12   13   11   55   56                                       
CONECT   13   25   12   14   57                                       
CONECT   14   13   16   16   15                                       
CONECT   15   14   19   19   58                                       
CONECT   16   14   14   17   59                                       
CONECT   17   16   18   18   60                                       
CONECT   18   17   17   19   61                                       
CONECT   19   15   15   18   20                                       
CONECT   20   19   21                                                 
CONECT   21   20   22   62   63                                       
CONECT   22   21   24   24   23                                       
CONECT   23   22   64                                                 
CONECT   24   22   22                                                 
CONECT   25   26   13                                                 
CONECT   26   28   27   27   25                                       
CONECT   27   26   26                                                 
CONECT   28   29   33   26   65                                       
CONECT   29   28   30   66   67                                       
CONECT   30   29   31   68   69                                       
CONECT   31   30   32   70   71                                       
CONECT   32   33   31   72   73                                       
CONECT   33   34   28   32                                            
CONECT   34   35   35   36   33                                       
CONECT   35   34   34                                                 
CONECT   36   38   34   37   74                                       
CONECT   37   36   75   76   77                                       
CONECT   38   39   43   43   36                                       
CONECT   39   40   38                                                 
CONECT   40   41   42   42   39                                       
CONECT   41   40                                                      
CONECT   42   40   40   43   78                                       
CONECT   43   42   38   38   79                                       
CONECT   44    1                                                      
CONECT   45    1                                                      
CONECT   46    1                                                      
CONECT   47    4                                                      
CONECT   48    7                                                      
CONECT   49    7                                                      
CONECT   50    7                                                      
CONECT   51    8                                                      
CONECT   52    9                                                      
CONECT   53   11                                                      
CONECT   54   11                                                      
CONECT   55   12                                                      
CONECT   56   12                                                      
CONECT   57   13                                                      
CONECT   58   15                                                      
CONECT   59   16                                                      
CONECT   60   17                                                      
CONECT   61   18                                                      
CONECT   62   21                                                      
CONECT   63   21                                                      
CONECT   64   23                                                      
CONECT   65   28                                                      
CONECT   66   29                                                      
CONECT   67   29                                                      
CONECT   68   30                                                      
CONECT   69   30                                                      
CONECT   70   31                                                      
CONECT   71   31                                                      
CONECT   72   32                                                      
CONECT   73   32                                                      
CONECT   74   36                                                      
CONECT   75   37                                                      
CONECT   76   37                                                      
CONECT   77   37                                                      
CONECT   78   42                                                      
CONECT   79   43                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
