COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -7.909   1.513   1.192  1.00  0.00           C  
HETATM    2  O   UNL     1      -8.185   0.554   0.169  1.00  0.00           O  
HETATM    3  C   UNL     1      -7.175  -0.291  -0.173  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.947  -0.198   0.461  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.375  -1.254  -1.158  1.00  0.00           C  
HETATM    6  O   UNL     1      -8.581  -1.352  -1.780  1.00  0.00           O  
HETATM    7  C   UNL     1      -8.714  -2.364  -2.780  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.344  -2.112  -1.503  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.119  -2.010  -0.870  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.922  -1.058   0.112  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.585  -0.951   0.799  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.693   0.026   0.030  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.335   0.134   0.728  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.501   1.186   0.043  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.402   2.451   0.589  1.00  0.00           C  
HETATM   16  C   UNL     1       0.169   0.882  -1.128  1.00  0.00           C  
HETATM   17  C   UNL     1       0.935   1.845  -1.758  1.00  0.00           C  
HETATM   18  C   UNL     1       1.032   3.114  -1.219  1.00  0.00           C  
HETATM   19  C   UNL     1       0.366   3.419  -0.041  1.00  0.00           C  
HETATM   20  O   UNL     1       0.460   4.666   0.491  1.00  0.00           O  
HETATM   21  C   UNL     1       1.263   5.614  -0.216  1.00  0.00           C  
HETATM   22  C   UNL     1       1.249   6.930   0.518  1.00  0.00           C  
HETATM   23  O   UNL     1       0.616   7.045   1.541  1.00  0.00           O  
HETATM   24  O   UNL     1       1.939   7.975   0.035  1.00  0.00           O  
HETATM   25  O   UNL     1      -0.652  -1.146   0.659  1.00  0.00           O  
HETATM   26  C   UNL     1       0.184  -1.445   1.665  1.00  0.00           C  
HETATM   27  O   UNL     1       0.340  -0.664   2.573  1.00  0.00           O  
HETATM   28  C   UNL     1       0.928  -2.756   1.661  1.00  0.00           C  
HETATM   29  C   UNL     1       0.683  -3.489   2.984  1.00  0.00           C  
HETATM   30  C   UNL     1       1.550  -4.750   3.032  1.00  0.00           C  
HETATM   31  C   UNL     1       3.027  -4.358   2.962  1.00  0.00           C  
HETATM   32  C   UNL     1       3.299  -3.635   1.639  1.00  0.00           C  
HETATM   33  N   UNL     1       2.369  -2.504   1.519  1.00  0.00           N  
HETATM   34  C   UNL     1       2.828  -1.259   1.284  1.00  0.00           C  
HETATM   35  O   UNL     1       2.057  -0.323   1.257  1.00  0.00           O  
HETATM   36  C   UNL     1       4.300  -1.030   1.054  1.00  0.00           C  
HETATM   37  C   UNL     1       4.644   0.427   1.367  1.00  0.00           C  
HETATM   38  C   UNL     1       4.434   0.691   2.860  1.00  0.00           C  
HETATM   39  C   UNL     1       4.635  -1.327  -0.385  1.00  0.00           C  
HETATM   40  S   UNL     1       3.947  -0.501  -1.778  1.00  0.00           S  
HETATM   41  C   UNL     1       4.900  -1.493  -2.874  1.00  0.00           C  
HETATM   42 CL   UNL     1       4.874  -1.377  -4.606  1.00  0.00          Cl  
HETATM   43  C   UNL     1       5.645  -2.348  -2.171  1.00  0.00           C  
HETATM   44  C   UNL     1       5.503  -2.252  -0.797  1.00  0.00           C  
HETATM   45  H   UNL     1      -8.796   2.122   1.368  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.636   0.995   2.112  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.086   2.154   0.877  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.791   0.546   1.229  1.00  0.00           H  
HETATM   49  H   UNL     1      -9.721  -2.334  -3.196  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.988  -2.188  -3.574  1.00  0.00           H  
HETATM   51  H   UNL     1      -8.534  -3.342  -2.334  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.497  -2.860  -2.266  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.316  -2.680  -1.139  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.727  -0.589   1.817  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.111  -1.932   0.825  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.550  -0.336  -0.988  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.167   1.007   0.004  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.484   0.410   1.771  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.923   2.686   1.506  1.00  0.00           H  
HETATM   60  H   UNL     1       0.094  -0.108  -1.550  1.00  0.00           H  
HETATM   61  H   UNL     1       1.457   1.606  -2.672  1.00  0.00           H  
HETATM   62  H   UNL     1       1.631   3.866  -1.712  1.00  0.00           H  
HETATM   63  H   UNL     1       2.286   5.245  -0.282  1.00  0.00           H  
HETATM   64  H   UNL     1       0.862   5.753  -1.220  1.00  0.00           H  
HETATM   65  H   UNL     1       1.900   8.799   0.540  1.00  0.00           H  
HETATM   66  H   UNL     1       0.579  -3.372   0.832  1.00  0.00           H  
HETATM   67  H   UNL     1       0.946  -2.835   3.816  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.368  -3.766   3.057  1.00  0.00           H  
HETATM   69  H   UNL     1       1.359  -5.286   3.961  1.00  0.00           H  
HETATM   70  H   UNL     1       1.304  -5.391   2.185  1.00  0.00           H  
HETATM   71  H   UNL     1       3.268  -3.697   3.795  1.00  0.00           H  
HETATM   72  H   UNL     1       3.645  -5.255   3.021  1.00  0.00           H  
HETATM   73  H   UNL     1       4.325  -3.267   1.628  1.00  0.00           H  
HETATM   74  H   UNL     1       3.146  -4.324   0.808  1.00  0.00           H  
HETATM   75  H   UNL     1       4.876  -1.688   1.704  1.00  0.00           H  
HETATM   76  H   UNL     1       5.686   0.618   1.108  1.00  0.00           H  
HETATM   77  H   UNL     1       3.999   1.086   0.787  1.00  0.00           H  
HETATM   78  H   UNL     1       3.412   0.429   3.134  1.00  0.00           H  
HETATM   79  H   UNL     1       5.132   0.086   3.438  1.00  0.00           H  
HETATM   80  H   UNL     1       4.607   1.746   3.070  1.00  0.00           H  
HETATM   81  H   UNL     1       6.312  -3.058  -2.638  1.00  0.00           H  
HETATM   82  H   UNL     1       6.051  -2.880  -0.111  1.00  0.00           H  
CONECT    1    2   45   46   47                                       
CONECT    2    3    1                                                 
CONECT    3    4    4    5    2                                       
CONECT    4   10    3    3   48                                       
CONECT    5    8    8    3    6                                       
CONECT    6    5    7                                                 
CONECT    7    6   49   50   51                                       
CONECT    8    9    5    5   52                                       
CONECT    9   10   10    8   53                                       
CONECT   10   11    9    9    4                                       
CONECT   11   10   12   54   55                                       
CONECT   12   11   13   56   57                                       
CONECT   13   14   12   25   58                                       
CONECT   14   15   15   16   13                                       
CONECT   15   19   14   14   59                                       
CONECT   16   17   17   14   60                                       
CONECT   17   18   16   16   61                                       
CONECT   18   19   19   17   62                                       
CONECT   19   20   18   18   15                                       
CONECT   20   21   19                                                 
CONECT   21   22   20   63   64                                       
CONECT   22   23   23   24   21                                       
CONECT   23   22   22                                                 
CONECT   24   22   65                                                 
CONECT   25   13   26                                                 
CONECT   26   25   27   27   28                                       
CONECT   27   26   26                                                 
CONECT   28   26   33   29   66                                       
CONECT   29   30   28   67   68                                       
CONECT   30   31   29   69   70                                       
CONECT   31   32   30   71   72                                       
CONECT   32   31   33   73   74                                       
CONECT   33   32   28   34                                            
CONECT   34   33   36   35   35                                       
CONECT   35   34   34                                                 
CONECT   36   37   34   39   75                                       
CONECT   37   38   36   76   77                                       
CONECT   38   37   78   79   80                                       
CONECT   39   36   44   44   40                                       
CONECT   40   39   41                                                 
CONECT   41   40   43   43   42                                       
CONECT   42   41                                                      
CONECT   43   44   41   41   81                                       
CONECT   44   39   39   43   82                                       
CONECT   45    1                                                      
CONECT   46    1                                                      
CONECT   47    1                                                      
CONECT   48    4                                                      
CONECT   49    7                                                      
CONECT   50    7                                                      
CONECT   51    7                                                      
CONECT   52    8                                                      
CONECT   53    9                                                      
CONECT   54   11                                                      
CONECT   55   11                                                      
CONECT   56   12                                                      
CONECT   57   12                                                      
CONECT   58   13                                                      
CONECT   59   15                                                      
CONECT   60   16                                                      
CONECT   61   17                                                      
CONECT   62   18                                                      
CONECT   63   21                                                      
CONECT   64   21                                                      
CONECT   65   24                                                      
CONECT   66   28                                                      
CONECT   67   29                                                      
CONECT   68   29                                                      
CONECT   69   30                                                      
CONECT   70   30                                                      
CONECT   71   31                                                      
CONECT   72   31                                                      
CONECT   73   32                                                      
CONECT   74   32                                                      
CONECT   75   36                                                      
CONECT   76   37                                                      
CONECT   77   37                                                      
CONECT   78   38                                                      
CONECT   79   38                                                      
CONECT   80   38                                                      
CONECT   81   43                                                      
CONECT   82   44                                                      
MASTER        0    0    0    0    0    0    0    0   82    0   82    0
END
