COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.866   6.506  -0.323  1.00  0.00           C  
HETATM    2  C   UNL     1      -7.602   7.213   0.818  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.686   4.478  -0.925  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.348  -0.804  -0.266  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.196   6.125   2.424  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.445   5.408   1.298  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.595  -1.222  -0.751  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.951  -1.631  -2.241  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.387   3.051  -0.462  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.693   2.284  -1.589  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.222  -0.145  -1.281  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.596  -0.178  -1.903  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.186  -2.611  -0.720  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.334  -1.663   0.398  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.980  -1.419   0.200  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.033  -2.230   0.828  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.453  -3.280   1.651  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.801  -3.514   1.840  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.740  -2.709   1.224  1.00  0.00           C  
HETATM   20  C   UNL     1      -7.927  -4.896  -1.118  1.00  0.00           C  
HETATM   21  C   UNL     1       1.365  -1.987   0.630  1.00  0.00           C  
HETATM   22  C   UNL     1       2.510  -1.788   0.467  1.00  0.00           C  
HETATM   23  C   UNL     1       3.908  -1.545   0.269  1.00  0.00           C  
HETATM   24  C   UNL     1       4.330  -0.495  -0.546  1.00  0.00           C  
HETATM   25  C   UNL     1       5.680  -0.257  -0.734  1.00  0.00           C  
HETATM   26  C   UNL     1       6.613  -1.064  -0.114  1.00  0.00           C  
HETATM   27  C   UNL     1       6.199  -2.109   0.701  1.00  0.00           C  
HETATM   28  C   UNL     1       4.858  -2.355   0.896  1.00  0.00           C  
HETATM   29  C   UNL     1       8.094  -0.846  -0.301  1.00  0.00           C  
HETATM   30  C   UNL     1       8.349   0.554  -0.858  1.00  0.00           C  
HETATM   31  C   UNL     1       6.086   0.896  -1.615  1.00  0.00           C  
HETATM   32  C   UNL     1       9.796   0.683  -1.261  1.00  0.00           C  
HETATM   33  C   UNL     1      12.151   1.048  -0.705  1.00  0.00           C  
HETATM   34  C   UNL     1      12.691   2.373  -0.156  1.00  0.00           C  
HETATM   35  C   UNL     1      12.434   2.438   1.352  1.00  0.00           C  
HETATM   36  C   UNL     1      10.928   2.383   1.618  1.00  0.00           C  
HETATM   37  C   UNL     1      10.369   1.058   1.089  1.00  0.00           C  
HETATM   38  N   UNL     1      -4.407   0.917  -1.145  1.00  0.00           N  
HETATM   39  N   UNL     1      -3.233   0.486  -0.510  1.00  0.00           N  
HETATM   40  N   UNL     1      -6.352   5.215   0.157  1.00  0.00           N  
HETATM   41  N   UNL     1      -6.605  -2.491  -1.100  1.00  0.00           N  
HETATM   42  N   UNL     1       7.485   0.755  -2.032  1.00  0.00           N  
HETATM   43  N   UNL     1      10.737   0.921  -0.327  1.00  0.00           N  
HETATM   44  O   UNL     1      -8.951  -2.523  -0.456  1.00  0.00           O  
HETATM   45  O   UNL     1      -7.225  -3.483   1.034  1.00  0.00           O  
HETATM   46  O   UNL     1      -6.715   7.363   1.930  1.00  0.00           O  
HETATM   47  O   UNL     1      10.112   0.571  -2.427  1.00  0.00           O  
HETATM   48  S   UNL     1      -7.780  -3.303  -0.262  1.00  0.00           S  
HETATM   49 CL   UNL     1       0.721  -4.292   2.433  1.00  0.00          Cl  
HETATM   50  H   UNL     1      -7.554   6.338  -1.152  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.035   7.126  -0.660  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.936   8.195   0.483  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.465   6.618   1.117  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.753   4.979  -1.185  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.337   4.448  -1.799  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.018   5.499   2.770  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.513   6.320   3.250  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.592   6.011   0.988  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.097   4.438   1.654  1.00  0.00           H  
HETATM   60  H   UNL     1      -8.019  -1.708  -2.444  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.390  -1.949  -3.120  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.735   3.082   0.412  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.320   2.551  -0.202  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.345   2.253  -2.462  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.760   2.784  -1.849  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.599   0.420  -2.814  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.326   0.222  -1.199  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.664  -3.252  -1.430  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.105  -3.027   0.285  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.662  -0.607  -0.436  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.122  -4.326   2.476  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.793  -2.895   1.380  1.00  0.00           H  
HETATM   73  H   UNL     1      -6.970  -5.416  -1.085  1.00  0.00           H  
HETATM   74  H   UNL     1      -8.688  -5.503  -0.628  1.00  0.00           H  
HETATM   75  H   UNL     1      -8.212  -4.725  -2.157  1.00  0.00           H  
HETATM   76  H   UNL     1       3.600   0.134  -1.034  1.00  0.00           H  
HETATM   77  H   UNL     1       6.934  -2.735   1.185  1.00  0.00           H  
HETATM   78  H   UNL     1       4.543  -3.168   1.535  1.00  0.00           H  
HETATM   79  H   UNL     1       8.599  -0.952   0.659  1.00  0.00           H  
HETATM   80  H   UNL     1       8.483  -1.588  -0.999  1.00  0.00           H  
HETATM   81  H   UNL     1       8.113   1.299  -0.098  1.00  0.00           H  
HETATM   82  H   UNL     1       5.448   0.915  -2.498  1.00  0.00           H  
HETATM   83  H   UNL     1       5.968   1.829  -1.064  1.00  0.00           H  
HETATM   84  H   UNL     1      12.242   1.039  -1.791  1.00  0.00           H  
HETATM   85  H   UNL     1      12.719   0.220  -0.282  1.00  0.00           H  
HETATM   86  H   UNL     1      13.762   2.436  -0.346  1.00  0.00           H  
HETATM   87  H   UNL     1      12.184   3.204  -0.647  1.00  0.00           H  
HETATM   88  H   UNL     1      12.920   1.593   1.840  1.00  0.00           H  
HETATM   89  H   UNL     1      12.839   3.369   1.749  1.00  0.00           H  
HETATM   90  H   UNL     1      10.745   2.453   2.690  1.00  0.00           H  
HETATM   91  H   UNL     1      10.438   3.214   1.110  1.00  0.00           H  
HETATM   92  H   UNL     1      10.791   0.230   1.658  1.00  0.00           H  
HETATM   93  H   UNL     1       9.283   1.054   1.188  1.00  0.00           H  
HETATM   94  H   UNL     1       7.591   0.000  -2.693  1.00  0.00           H  
CONECT    1    2   40   50   51                                       
CONECT    2   46    1   52   53                                       
CONECT    3   40    9   54   55                                       
CONECT    4   39   39    7   14                                       
CONECT    5   46    6   56   57                                       
CONECT    6    5   40   58   59                                       
CONECT    7   11   11    4   13                                       
CONECT    8   12   41   60   61                                       
CONECT    9    3   10   62   63                                       
CONECT   10    9   38   64   65                                       
CONECT   11   38   12    7    7                                       
CONECT   12   11    8   66   67                                       
CONECT   13    7   41   68   69                                       
CONECT   14   15    4   19   19                                       
CONECT   15   16   16   14   70                                       
CONECT   16   21   15   15   17                                       
CONECT   17   16   18   18   49                                       
CONECT   18   17   17   19   71                                       
CONECT   19   14   14   18   72                                       
CONECT   20   48   73   74   75                                       
CONECT   21   22   22   22   16                                       
CONECT   22   23   21   21   21                                       
CONECT   23   24   24   28   22                                       
CONECT   24   25   23   23   76                                       
CONECT   25   31   26   26   24                                       
CONECT   26   29   25   25   27                                       
CONECT   27   26   28   28   77                                       
CONECT   28   27   27   23   78                                       
CONECT   29   30   26   79   80                                       
CONECT   30   32   42   29   81                                       
CONECT   31   42   25   82   83                                       
CONECT   32   47   47   43   30                                       
CONECT   33   43   34   84   85                                       
CONECT   34   33   35   86   87                                       
CONECT   35   34   36   88   89                                       
CONECT   36   35   37   90   91                                       
CONECT   37   43   36   92   93                                       
CONECT   38   10   11   39                                            
CONECT   39   38    4    4                                            
CONECT   40    6    1    3                                            
CONECT   41    8   13   48                                            
CONECT   42   31   30   94                                            
CONECT   43   33   32   37                                            
CONECT   44   48   48                                                 
CONECT   45   48   48                                                 
CONECT   46    5    2                                                 
CONECT   47   32   32                                                 
CONECT   48   41   20   45   45                                       
CONECT   48   44   44                                                 
CONECT   49   17                                                      
CONECT   50    1                                                      
CONECT   51    1                                                      
CONECT   52    2                                                      
CONECT   53    2                                                      
CONECT   54    3                                                      
CONECT   55    3                                                      
CONECT   56    5                                                      
CONECT   57    5                                                      
CONECT   58    6                                                      
CONECT   59    6                                                      
CONECT   60    8                                                      
CONECT   61    8                                                      
CONECT   62    9                                                      
CONECT   63    9                                                      
CONECT   64   10                                                      
CONECT   65   10                                                      
CONECT   66   12                                                      
CONECT   67   12                                                      
CONECT   68   13                                                      
CONECT   69   13                                                      
CONECT   70   15                                                      
CONECT   71   18                                                      
CONECT   72   19                                                      
CONECT   73   20                                                      
CONECT   74   20                                                      
CONECT   75   20                                                      
CONECT   76   24                                                      
CONECT   77   27                                                      
CONECT   78   28                                                      
CONECT   79   29                                                      
CONECT   80   29                                                      
CONECT   81   30                                                      
CONECT   82   31                                                      
CONECT   83   31                                                      
CONECT   84   33                                                      
CONECT   85   33                                                      
CONECT   86   34                                                      
CONECT   87   34                                                      
CONECT   88   35                                                      
CONECT   89   35                                                      
CONECT   90   36                                                      
CONECT   91   36                                                      
CONECT   92   37                                                      
CONECT   93   37                                                      
CONECT   94   42                                                      
MASTER        0    0    0    0    0    0    0    0   94    0   94    0
END
