COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      10.735  -5.512  -0.195  1.00  0.00           C  
HETATM    2  C   UNL     1       9.326  -5.875  -0.668  1.00  0.00           C  
HETATM    3  C   UNL     1      10.038  -4.651  -1.250  1.00  0.00           C  
HETATM    4  C   UNL     1       8.033  -4.197   0.506  1.00  0.00           C  
HETATM    5  C   UNL     1       5.862  -6.041   0.801  1.00  0.00           C  
HETATM    6  C   UNL     1       6.973  -6.244  -0.232  1.00  0.00           C  
HETATM    7  C   UNL     1       5.204  -3.921  -0.167  1.00  0.00           C  
HETATM    8  C   UNL     1       4.790  -2.490   0.183  1.00  0.00           C  
HETATM    9  C   UNL     1       6.922  -3.994   1.538  1.00  0.00           C  
HETATM   10  C   UNL     1       4.295  -1.779  -1.078  1.00  0.00           C  
HETATM   11  C   UNL     1       2.653   1.304  -0.132  1.00  0.00           C  
HETATM   12  C   UNL     1       3.957   1.746  -0.397  1.00  0.00           C  
HETATM   13  C   UNL     1       4.698   0.673  -0.766  1.00  0.00           C  
HETATM   14  C   UNL     1       6.161   0.730  -1.129  1.00  0.00           C  
HETATM   15  C   UNL     1       6.535   2.183  -1.449  1.00  0.00           C  
HETATM   16  C   UNL     1       4.497   3.153  -0.309  1.00  0.00           C  
HETATM   17  C   UNL     1       1.515   2.150   0.305  1.00  0.00           C  
HETATM   18  C   UNL     1       1.737   3.238   1.149  1.00  0.00           C  
HETATM   19  C   UNL     1       0.681   4.028   1.559  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.604   3.747   1.135  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.840   2.659   0.288  1.00  0.00           C  
HETATM   22  C   UNL     1       0.226   1.862  -0.131  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.171   2.366  -0.151  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.263   2.126  -0.512  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.594   1.834  -0.951  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.831   0.747  -1.797  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.116   0.472  -2.216  1.00  0.00           C  
HETATM   28  C   UNL     1      -7.168   1.268  -1.801  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.941   2.346  -0.964  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.663   2.630  -0.531  1.00  0.00           C  
HETATM   31  C   UNL     1      -8.569   0.961  -2.264  1.00  0.00           C  
HETATM   32  C   UNL     1     -10.579  -0.280  -1.732  1.00  0.00           C  
HETATM   33  C   UNL     1     -11.202  -1.222  -0.733  1.00  0.00           C  
HETATM   34  C   UNL     1     -11.899  -0.719   0.349  1.00  0.00           C  
HETATM   35  C   UNL     1     -12.470  -1.582   1.265  1.00  0.00           C  
HETATM   36  C   UNL     1     -12.344  -2.950   1.099  1.00  0.00           C  
HETATM   37  C   UNL     1     -11.646  -3.453   0.015  1.00  0.00           C  
HETATM   38  C   UNL     1     -11.080  -2.589  -0.904  1.00  0.00           C  
HETATM   39  C   UNL     1       7.207   5.509  -0.283  1.00  0.00           C  
HETATM   40  N   UNL     1       5.680  -4.603   1.044  1.00  0.00           N  
HETATM   41  N   UNL     1       3.898  -0.409  -0.743  1.00  0.00           N  
HETATM   42  N   UNL     1       2.618   0.004  -0.347  1.00  0.00           N  
HETATM   43  N   UNL     1       5.964   3.065  -0.420  1.00  0.00           N  
HETATM   44  N   UNL     1       8.215  -5.635   0.263  1.00  0.00           N  
HETATM   45  N   UNL     1      -9.209   0.043  -1.312  1.00  0.00           N  
HETATM   46  O   UNL     1       8.152   3.190   0.638  1.00  0.00           O  
HETATM   47  O   UNL     1       6.160   4.141   1.754  1.00  0.00           O  
HETATM   48  S   UNL     1       6.946   3.939   0.587  1.00  0.00           S  
HETATM   49 CL   UNL     1      -1.926   4.744   1.655  1.00  0.00          Cl  
HETATM   50 CL   UNL     1     -13.054  -4.034   2.253  1.00  0.00          Cl  
HETATM   51  H   UNL     1      10.838  -5.096   0.807  1.00  0.00           H  
HETATM   52  H   UNL     1      11.557  -6.148  -0.527  1.00  0.00           H  
HETATM   53  H   UNL     1       9.220  -6.749  -1.311  1.00  0.00           H  
HETATM   54  H   UNL     1       9.681  -3.668  -0.942  1.00  0.00           H  
HETATM   55  H   UNL     1      10.400  -4.720  -2.276  1.00  0.00           H  
HETATM   56  H   UNL     1       7.758  -3.703  -0.426  1.00  0.00           H  
HETATM   57  H   UNL     1       8.963  -3.771   0.883  1.00  0.00           H  
HETATM   58  H   UNL     1       4.932  -6.466   0.424  1.00  0.00           H  
HETATM   59  H   UNL     1       6.136  -6.535   1.733  1.00  0.00           H  
HETATM   60  H   UNL     1       7.130  -7.311  -0.392  1.00  0.00           H  
HETATM   61  H   UNL     1       6.686  -5.773  -1.172  1.00  0.00           H  
HETATM   62  H   UNL     1       4.348  -4.457  -0.574  1.00  0.00           H  
HETATM   63  H   UNL     1       6.004  -3.896  -0.908  1.00  0.00           H  
HETATM   64  H   UNL     1       3.991  -2.514   0.924  1.00  0.00           H  
HETATM   65  H   UNL     1       5.647  -1.953   0.590  1.00  0.00           H  
HETATM   66  H   UNL     1       7.209  -4.465   2.478  1.00  0.00           H  
HETATM   67  H   UNL     1       6.766  -2.927   1.699  1.00  0.00           H  
HETATM   68  H   UNL     1       5.094  -1.755  -1.819  1.00  0.00           H  
HETATM   69  H   UNL     1       3.438  -2.316  -1.485  1.00  0.00           H  
HETATM   70  H   UNL     1       6.759   0.375  -0.291  1.00  0.00           H  
HETATM   71  H   UNL     1       6.345   0.105  -2.003  1.00  0.00           H  
HETATM   72  H   UNL     1       7.620   2.286  -1.457  1.00  0.00           H  
HETATM   73  H   UNL     1       6.135   2.455  -2.425  1.00  0.00           H  
HETATM   74  H   UNL     1       4.098   3.756  -1.125  1.00  0.00           H  
HETATM   75  H   UNL     1       4.224   3.596   0.649  1.00  0.00           H  
HETATM   76  H   UNL     1       2.739   3.463   1.484  1.00  0.00           H  
HETATM   77  H   UNL     1       0.859   4.868   2.213  1.00  0.00           H  
HETATM   78  H   UNL     1       0.051   1.023  -0.788  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.010   0.125  -2.122  1.00  0.00           H  
HETATM   80  H   UNL     1      -6.301  -0.368  -2.870  1.00  0.00           H  
HETATM   81  H   UNL     1      -7.767   2.964  -0.644  1.00  0.00           H  
HETATM   82  H   UNL     1      -5.487   3.471   0.123  1.00  0.00           H  
HETATM   83  H   UNL     1      -9.145   1.885  -2.320  1.00  0.00           H  
HETATM   84  H   UNL     1      -8.533   0.495  -3.249  1.00  0.00           H  
HETATM   85  H   UNL     1     -10.556  -0.754  -2.713  1.00  0.00           H  
HETATM   86  H   UNL     1     -11.168   0.635  -1.784  1.00  0.00           H  
HETATM   87  H   UNL     1     -11.997   0.349   0.479  1.00  0.00           H  
HETATM   88  H   UNL     1     -13.014  -1.189   2.111  1.00  0.00           H  
HETATM   89  H   UNL     1     -11.547  -4.520  -0.116  1.00  0.00           H  
HETATM   90  H   UNL     1     -10.535  -2.981  -1.750  1.00  0.00           H  
HETATM   91  H   UNL     1       6.247   6.000  -0.443  1.00  0.00           H  
HETATM   92  H   UNL     1       7.850   6.154   0.315  1.00  0.00           H  
HETATM   93  H   UNL     1       7.681   5.316  -1.246  1.00  0.00           H  
HETATM   94  H   UNL     1      -8.660  -0.796  -1.194  1.00  0.00           H  
CONECT    1    3    2   51   52                                       
CONECT    2    3    1   44   53                                       
CONECT    3    1    2   54   55                                       
CONECT    4   44    9   56   57                                       
CONECT    5    6   40   58   59                                       
CONECT    6   44    5   60   61                                       
CONECT    7   40    8   62   63                                       
CONECT    8    7   10   64   65                                       
CONECT    9    4   40   66   67                                       
CONECT   10    8   41   68   69                                       
CONECT   11   42   42   17   12                                       
CONECT   12   11   13   13   16                                       
CONECT   13   41   12   12   14                                       
CONECT   14   13   15   70   71                                       
CONECT   15   14   43   72   73                                       
CONECT   16   12   43   74   75                                       
CONECT   17   18   11   22   22                                       
CONECT   18   19   19   17   76                                       
CONECT   19   18   18   20   77                                       
CONECT   20   19   49   21   21                                       
CONECT   21   20   20   22   23                                       
CONECT   22   17   17   21   78                                       
CONECT   23   21   24   24   24                                       
CONECT   24   23   23   23   25                                       
CONECT   25   30   24   26   26                                       
CONECT   26   25   25   27   79                                       
CONECT   27   28   28   26   80                                       
CONECT   28   29   31   27   27                                       
CONECT   29   30   30   28   81                                       
CONECT   30   29   29   25   82                                       
CONECT   31   28   45   83   84                                       
CONECT   32   33   45   85   86                                       
CONECT   33   38   38   34   32                                       
CONECT   34   35   35   33   87                                       
CONECT   35   36   34   34   88                                       
CONECT   36   50   37   37   35                                       
CONECT   37   36   36   38   89                                       
CONECT   38   37   33   33   90                                       
CONECT   39   48   91   92   93                                       
CONECT   40    5    9    7                                            
CONECT   41   10   42   13                                            
CONECT   42   41   11   11                                            
CONECT   43   16   15   48                                            
CONECT   44    2    6    4                                            
CONECT   45   31   32   94                                            
CONECT   46   48   48                                                 
CONECT   47   48   48                                                 
CONECT   48   43   47   47   46                                       
CONECT   48   46   39                                                 
CONECT   49   20                                                      
CONECT   50   36                                                      
CONECT   51    1                                                      
CONECT   52    1                                                      
CONECT   53    2                                                      
CONECT   54    3                                                      
CONECT   55    3                                                      
CONECT   56    4                                                      
CONECT   57    4                                                      
CONECT   58    5                                                      
CONECT   59    5                                                      
CONECT   60    6                                                      
CONECT   61    6                                                      
CONECT   62    7                                                      
CONECT   63    7                                                      
CONECT   64    8                                                      
CONECT   65    8                                                      
CONECT   66    9                                                      
CONECT   67    9                                                      
CONECT   68   10                                                      
CONECT   69   10                                                      
CONECT   70   14                                                      
CONECT   71   14                                                      
CONECT   72   15                                                      
CONECT   73   15                                                      
CONECT   74   16                                                      
CONECT   75   16                                                      
CONECT   76   18                                                      
CONECT   77   19                                                      
CONECT   78   22                                                      
CONECT   79   26                                                      
CONECT   80   27                                                      
CONECT   81   29                                                      
CONECT   82   30                                                      
CONECT   83   31                                                      
CONECT   84   31                                                      
CONECT   85   32                                                      
CONECT   86   32                                                      
CONECT   87   34                                                      
CONECT   88   35                                                      
CONECT   89   37                                                      
CONECT   90   38                                                      
CONECT   91   39                                                      
CONECT   92   39                                                      
CONECT   93   39                                                      
CONECT   94   45                                                      
MASTER        0    0    0    0    0    0    0    0   94    0   94    0
END
