COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.143  -1.235   1.639  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.740  -1.155   2.183  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.869  -0.393   1.217  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.130  -0.353   1.850  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.022  -1.943   0.523  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.683  -2.289   0.773  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.440  -0.093   1.192  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.804  -2.764  -0.279  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.266  -3.910  -0.824  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.941  -4.256  -0.579  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.147  -3.451   0.217  1.00  0.00           C  
HETATM   12  C   UNL     1      -7.674   1.002   0.230  1.00  0.00           C  
HETATM   13  C   UNL     1      -8.844   1.761   0.302  1.00  0.00           C  
HETATM   14  C   UNL     1      -9.056   2.783  -0.599  1.00  0.00           C  
HETATM   15  C   UNL     1      -8.112   3.057  -1.574  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.949   2.308  -1.651  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.723   1.288  -0.752  1.00  0.00           C  
HETATM   18  C   UNL     1       0.281   0.545   0.558  1.00  0.00           C  
HETATM   19  C   UNL     1       1.705   0.627   1.111  1.00  0.00           C  
HETATM   20  C   UNL     1       2.589   1.400   0.131  1.00  0.00           C  
HETATM   21  C   UNL     1       4.014   1.481   0.683  1.00  0.00           C  
HETATM   22  C   UNL     1       7.336   1.432   0.652  1.00  0.00           C  
HETATM   23  C   UNL     1       7.711   0.511  -0.342  1.00  0.00           C  
HETATM   24  C   UNL     1       8.529  -0.591   0.007  1.00  0.00           C  
HETATM   25  C   UNL     1       8.950  -0.743   1.337  1.00  0.00           C  
HETATM   26  C   UNL     1       8.568   0.169   2.274  1.00  0.00           C  
HETATM   27  C   UNL     1       7.763   1.253   1.931  1.00  0.00           C  
HETATM   28  C   UNL     1       7.288   0.665  -1.673  1.00  0.00           C  
HETATM   29  C   UNL     1       7.666  -0.243  -2.616  1.00  0.00           C  
HETATM   30  C   UNL     1       8.469  -1.330  -2.285  1.00  0.00           C  
HETATM   31  C   UNL     1       8.906  -1.516  -0.990  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.011   0.894   2.688  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.299  -6.175  -1.936  1.00  0.00           C  
HETATM   34  C   UNL     1       8.993  -3.871  -0.881  1.00  0.00           C  
HETATM   35  C   UNL     1      10.964  -2.579  -1.436  1.00  0.00           C  
HETATM   36  N   UNL     1      -0.566  -0.195   1.497  1.00  0.00           N  
HETATM   37  N   UNL     1      -6.265  -0.754   1.189  1.00  0.00           N  
HETATM   38  N   UNL     1       4.860   2.222  -0.255  1.00  0.00           N  
HETATM   39  N   UNL     1       9.711  -2.607  -0.670  1.00  0.00           N  
HETATM   40  O   UNL     1      -2.341   0.042   0.188  1.00  0.00           O  
HETATM   41  O   UNL     1      -8.307  -0.398   1.988  1.00  0.00           O  
HETATM   42  O   UNL     1       6.084   3.512   1.456  1.00  0.00           O  
HETATM   43  O   UNL     1       6.918   3.422  -0.898  1.00  0.00           O  
HETATM   44  O   UNL     1      -4.425  -5.389  -1.124  1.00  0.00           O  
HETATM   45  S   UNL     1       6.324   2.815   0.241  1.00  0.00           S  
HETATM   46 CL   UNL     1      -8.390   4.341  -2.710  1.00  0.00          Cl  
HETATM   47  H   UNL     1      -2.752  -0.641   3.144  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.343  -2.161   2.314  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.834  -2.505  -0.475  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.879  -4.545  -1.447  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.119  -3.720   0.406  1.00  0.00           H  
HETATM   52  H   UNL     1      -9.582   1.548   1.062  1.00  0.00           H  
HETATM   53  H   UNL     1      -9.961   3.371  -0.544  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.217   2.527  -2.414  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.816   0.705  -0.813  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.116   1.552   0.428  1.00  0.00           H  
HETATM   57  H   UNL     1       0.293   0.032  -0.403  1.00  0.00           H  
HETATM   58  H   UNL     1       1.693   1.140   2.072  1.00  0.00           H  
HETATM   59  H   UNL     1       2.102  -0.380   1.242  1.00  0.00           H  
HETATM   60  H   UNL     1       2.601   0.886  -0.831  1.00  0.00           H  
HETATM   61  H   UNL     1       2.192   2.407   0.000  1.00  0.00           H  
HETATM   62  H   UNL     1       4.002   1.995   1.645  1.00  0.00           H  
HETATM   63  H   UNL     1       4.411   0.474   0.814  1.00  0.00           H  
HETATM   64  H   UNL     1       9.574  -1.579   1.617  1.00  0.00           H  
HETATM   65  H   UNL     1       8.894   0.050   3.296  1.00  0.00           H  
HETATM   66  H   UNL     1       7.473   1.962   2.693  1.00  0.00           H  
HETATM   67  H   UNL     1       6.663   1.502  -1.949  1.00  0.00           H  
HETATM   68  H   UNL     1       7.336  -0.117  -3.636  1.00  0.00           H  
HETATM   69  H   UNL     1       8.754  -2.036  -3.051  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.687   1.724   2.060  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.980   1.129   3.129  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.281   0.732   3.480  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.648  -5.577  -2.779  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.763  -7.049  -2.308  1.00  0.00           H  
HETATM   75  H   UNL     1      -6.154  -6.499  -1.342  1.00  0.00           H  
HETATM   76  H   UNL     1       8.697  -3.950  -1.926  1.00  0.00           H  
HETATM   77  H   UNL     1       9.644  -4.706  -0.623  1.00  0.00           H  
HETATM   78  H   UNL     1       8.105  -3.894  -0.249  1.00  0.00           H  
HETATM   79  H   UNL     1      11.509  -1.663  -1.208  1.00  0.00           H  
HETATM   80  H   UNL     1      11.574  -3.441  -1.166  1.00  0.00           H  
HETATM   81  H   UNL     1      10.739  -2.612  -2.502  1.00  0.00           H  
HETATM   82  H   UNL     1      -0.188  -0.543   2.320  1.00  0.00           H  
HETATM   83  H   UNL     1       4.563   2.364  -1.168  1.00  0.00           H  
CONECT    1    4    4    6    2                                       
CONECT    2    3    1   47   48                                       
CONECT    3   40   40   36    2                                       
CONECT    4   32   37    1    1                                       
CONECT    5   37    8    8    6                                       
CONECT    6    5    1   11   11                                       
CONECT    7   12   41   41   37                                       
CONECT    8    5    5    9   49                                       
CONECT    9    8   10   10   50                                       
CONECT   10    9    9   11   44                                       
CONECT   11    6    6   10   51                                       
CONECT   12   17   17   13    7                                       
CONECT   13   14   14   12   52                                       
CONECT   14   15   13   13   53                                       
CONECT   15   46   16   16   14                                       
CONECT   16   15   15   17   54                                       
CONECT   17   16   12   12   55                                       
CONECT   18   19   36   56   57                                       
CONECT   19   18   20   58   59                                       
CONECT   20   19   21   60   61                                       
CONECT   21   38   20   62   63                                       
CONECT   22   45   27   27   23                                       
CONECT   23   22   28   28   24                                       
CONECT   24   23   25   31   31                                       
CONECT   25   26   26   24   64                                       
CONECT   26   27   25   25   65                                       
CONECT   27   22   22   26   66                                       
CONECT   28   23   23   29   67                                       
CONECT   29   28   30   30   68                                       
CONECT   30   29   29   31   69                                       
CONECT   31   24   24   30   39                                       
CONECT   32    4   70   71   72                                       
CONECT   33   44   73   74   75                                       
CONECT   34   39   76   77   78                                       
CONECT   35   39   79   80   81                                       
CONECT   36   18    3   82                                            
CONECT   37    7    4    5                                            
CONECT   38   45   21   83                                            
CONECT   39   31   35   34                                            
CONECT   40    3    3                                                 
CONECT   41    7    7                                                 
CONECT   42   45   45                                                 
CONECT   43   45   45                                                 
CONECT   44   10   33                                                 
CONECT   45   43   43   42   42                                       
CONECT   45   38   22                                                 
CONECT   46   15                                                      
CONECT   47    2                                                      
CONECT   48    2                                                      
CONECT   49    8                                                      
CONECT   50    9                                                      
CONECT   51   11                                                      
CONECT   52   13                                                      
CONECT   53   14                                                      
CONECT   54   16                                                      
CONECT   55   17                                                      
CONECT   56   18                                                      
CONECT   57   18                                                      
CONECT   58   19                                                      
CONECT   59   19                                                      
CONECT   60   20                                                      
CONECT   61   20                                                      
CONECT   62   21                                                      
CONECT   63   21                                                      
CONECT   64   25                                                      
CONECT   65   26                                                      
CONECT   66   27                                                      
CONECT   67   28                                                      
CONECT   68   29                                                      
CONECT   69   30                                                      
CONECT   70   32                                                      
CONECT   71   32                                                      
CONECT   72   32                                                      
CONECT   73   33                                                      
CONECT   74   33                                                      
CONECT   75   33                                                      
CONECT   76   34                                                      
CONECT   77   34                                                      
CONECT   78   34                                                      
CONECT   79   35                                                      
CONECT   80   35                                                      
CONECT   81   35                                                      
CONECT   82   36                                                      
CONECT   83   38                                                      
MASTER        0    0    0    0    0    0    0    0   83    0   83    0
END
