COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -4.939  -0.245   2.599  1.00  0.00           O  
HETATM    2  C   UNL     1      -4.725   0.742   1.927  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.864   1.648   1.536  1.00  0.00           C  
HETATM    4  C   UNL     1      -7.172   1.101   2.111  1.00  0.00           C  
HETATM    5  C   UNL     1      -8.292   2.064   1.819  1.00  0.00           C  
HETATM    6  N   UNL     1      -9.052   2.688   2.672  1.00  0.00           N  
HETATM    7  N   UNL     1      -9.907   3.416   2.041  1.00  0.00           N  
HETATM    8  C   UNL     1      -9.731   3.294   0.750  1.00  0.00           C  
HETATM    9  C   UNL     1     -10.527   3.974  -0.334  1.00  0.00           C  
HETATM   10  N   UNL     1      -8.695   2.439   0.576  1.00  0.00           N  
HETATM   11  C   UNL     1      -8.106   2.003  -0.613  1.00  0.00           C  
HETATM   12  S   UNL     1      -7.962   2.937  -2.033  1.00  0.00           S  
HETATM   13  C   UNL     1      -7.104   1.665  -2.879  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.588   1.772  -4.291  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.970   0.599  -2.109  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.268  -0.657  -2.557  1.00  0.00           C  
HETATM   17  C   UNL     1      -7.562   0.748  -0.790  1.00  0.00           C  
HETATM   18  C   UNL     1      -7.601  -0.336   0.212  1.00  0.00           C  
HETATM   19  C   UNL     1      -7.800  -1.714  -0.294  1.00  0.00           C  
HETATM   20  C   UNL     1      -7.143  -2.784   0.313  1.00  0.00           C  
HETATM   21  C   UNL     1      -7.333  -4.065  -0.162  1.00  0.00           C  
HETATM   22  C   UNL     1      -8.173  -4.290  -1.240  1.00  0.00           C  
HETATM   23 CL   UNL     1      -8.407  -5.904  -1.832  1.00  0.00          Cl  
HETATM   24  C   UNL     1      -8.828  -3.230  -1.846  1.00  0.00           C  
HETATM   25  C   UNL     1      -8.650  -1.946  -1.375  1.00  0.00           C  
HETATM   26  N   UNL     1      -7.476  -0.191   1.492  1.00  0.00           N  
HETATM   27  N   UNL     1      -3.469   1.030   1.534  1.00  0.00           N  
HETATM   28  C   UNL     1      -2.361   0.152   1.919  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.052   0.703   1.349  1.00  0.00           C  
HETATM   30  C   UNL     1       0.105  -0.214   1.751  1.00  0.00           C  
HETATM   31  C   UNL     1       1.414   0.336   1.181  1.00  0.00           C  
HETATM   32  N   UNL     1       2.522  -0.542   1.566  1.00  0.00           N  
HETATM   33  C   UNL     1       3.778  -0.253   1.173  1.00  0.00           C  
HETATM   34  O   UNL     1       3.992   0.734   0.501  1.00  0.00           O  
HETATM   35  C   UNL     1       4.918  -1.156   1.569  1.00  0.00           C  
HETATM   36  O   UNL     1       6.140  -0.642   1.037  1.00  0.00           O  
HETATM   37  C   UNL     1       7.270  -1.342   1.303  1.00  0.00           C  
HETATM   38  C   UNL     1       8.499  -0.899   0.822  1.00  0.00           C  
HETATM   39  C   UNL     1       9.668  -1.636   1.106  1.00  0.00           C  
HETATM   40  C   UNL     1       9.587  -2.794   1.859  1.00  0.00           C  
HETATM   41  C   UNL     1       8.357  -3.227   2.333  1.00  0.00           C  
HETATM   42  C   UNL     1       7.210  -2.508   2.065  1.00  0.00           C  
HETATM   43  C   UNL     1       8.933   0.255   0.015  1.00  0.00           C  
HETATM   44  O   UNL     1       8.208   1.125  -0.425  1.00  0.00           O  
HETATM   45  N   UNL     1      10.266   0.185  -0.154  1.00  0.00           N  
HETATM   46  C   UNL     1      10.774  -0.900   0.458  1.00  0.00           C  
HETATM   47  O   UNL     1      11.946  -1.221   0.476  1.00  0.00           O  
HETATM   48  C   UNL     1      11.059   1.161  -0.905  1.00  0.00           C  
HETATM   49  C   UNL     1      12.108   1.788   0.018  1.00  0.00           C  
HETATM   50  C   UNL     1      12.996   2.720  -0.813  1.00  0.00           C  
HETATM   51  C   UNL     1      13.588   1.944  -1.961  1.00  0.00           C  
HETATM   52  O   UNL     1      14.666   2.273  -2.407  1.00  0.00           O  
HETATM   53  N   UNL     1      12.945   0.896  -2.498  1.00  0.00           N  
HETATM   54  C   UNL     1      11.756   0.470  -2.048  1.00  0.00           C  
HETATM   55  O   UNL     1      11.232  -0.490  -2.571  1.00  0.00           O  
HETATM   56  H   UNL     1      -5.684   2.648   1.931  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.935   1.694   0.450  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.071   0.973   3.189  1.00  0.00           H  
HETATM   59  H   UNL     1     -10.064   4.929  -0.581  1.00  0.00           H  
HETATM   60  H   UNL     1     -10.548   3.340  -1.221  1.00  0.00           H  
HETATM   61  H   UNL     1     -11.546   4.143   0.015  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.832   2.755  -4.694  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.506   1.637  -4.294  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.051   1.001  -4.907  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.195  -0.550  -2.397  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.639  -1.505  -1.982  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.463  -0.823  -3.617  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.487  -2.610   1.153  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.824  -4.895   0.307  1.00  0.00           H  
HETATM   70  H   UNL     1      -9.482  -3.411  -2.686  1.00  0.00           H  
HETATM   71  H   UNL     1      -9.165  -1.121  -1.846  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.298   1.820   0.997  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.293   0.108   3.006  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.536  -0.849   1.525  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.120   0.747   0.262  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.876   1.704   1.744  1.00  0.00           H  
HETATM   77  H   UNL     1       0.172  -0.259   2.838  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.071  -1.215   1.357  1.00  0.00           H  
HETATM   79  H   UNL     1       1.346   0.381   0.094  1.00  0.00           H  
HETATM   80  H   UNL     1       1.589   1.337   1.576  1.00  0.00           H  
HETATM   81  H   UNL     1       2.351  -1.331   2.103  1.00  0.00           H  
HETATM   82  H   UNL     1       4.985  -1.201   2.656  1.00  0.00           H  
HETATM   83  H   UNL     1       4.742  -2.157   1.175  1.00  0.00           H  
HETATM   84  H   UNL     1      10.481  -3.361   2.078  1.00  0.00           H  
HETATM   85  H   UNL     1       8.297  -4.131   2.920  1.00  0.00           H  
HETATM   86  H   UNL     1       6.260  -2.853   2.444  1.00  0.00           H  
HETATM   87  H   UNL     1      10.404   1.939  -1.296  1.00  0.00           H  
HETATM   88  H   UNL     1      11.611   2.360   0.802  1.00  0.00           H  
HETATM   89  H   UNL     1      12.719   1.003   0.465  1.00  0.00           H  
HETATM   90  H   UNL     1      12.397   3.543  -1.201  1.00  0.00           H  
HETATM   91  H   UNL     1      13.798   3.113  -0.188  1.00  0.00           H  
HETATM   92  H   UNL     1      13.357   0.428  -3.241  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3    1    1   27                                       
CONECT    3    4    2   56   57                                       
CONECT    4    5    3   26   58                                       
CONECT    5   10    6    6    4                                       
CONECT    6    7    5    5                                            
CONECT    7    8    8    6                                            
CONECT    8    9    7    7   10                                       
CONECT    9    8   59   60   61                                       
CONECT   10    8   11    5                                            
CONECT   11   12   10   17   17                                       
CONECT   12   13   11                                                 
CONECT   13   14   12   15   15                                       
CONECT   14   13   62   63   64                                       
CONECT   15   13   13   17   16                                       
CONECT   16   15   65   66   67                                       
CONECT   17   11   11   15   18                                       
CONECT   18   17   26   26   19                                       
CONECT   19   18   20   20   25                                       
CONECT   20   19   19   21   68                                       
CONECT   21   20   22   22   69                                       
CONECT   22   21   21   24   23                                       
CONECT   23   22                                                      
CONECT   24   25   25   22   70                                       
CONECT   25   19   24   24   71                                       
CONECT   26    4   18   18                                            
CONECT   27    2   28   72                                            
CONECT   28   27   29   73   74                                       
CONECT   29   28   30   75   76                                       
CONECT   30   29   31   77   78                                       
CONECT   31   30   32   79   80                                       
CONECT   32   31   33   81                                            
CONECT   33   32   35   34   34                                       
CONECT   34   33   33                                                 
CONECT   35   33   36   82   83                                       
CONECT   36   35   37                                                 
CONECT   37   36   42   42   38                                       
CONECT   38   37   43   39   39                                       
CONECT   39   38   38   40   46                                       
CONECT   40   41   41   39   84                                       
CONECT   41   42   40   40   85                                       
CONECT   42   37   37   41   86                                       
CONECT   43   44   44   38   45                                       
CONECT   44   43   43                                                 
CONECT   45   43   48   46                                            
CONECT   46   45   39   47   47                                       
CONECT   47   46   46                                                 
CONECT   48   45   54   49   87                                       
CONECT   49   48   50   88   89                                       
CONECT   50   49   51   90   91                                       
CONECT   51   53   50   52   52                                       
CONECT   52   51   51                                                 
CONECT   53   54   51   92                                            
CONECT   54   48   55   55   53                                       
CONECT   55   54   54                                                 
CONECT   56    3                                                      
CONECT   57    3                                                      
CONECT   58    4                                                      
CONECT   59    9                                                      
CONECT   60    9                                                      
CONECT   61    9                                                      
CONECT   62   14                                                      
CONECT   63   14                                                      
CONECT   64   14                                                      
CONECT   65   16                                                      
CONECT   66   16                                                      
CONECT   67   16                                                      
CONECT   68   20                                                      
CONECT   69   21                                                      
CONECT   70   24                                                      
CONECT   71   25                                                      
CONECT   72   27                                                      
CONECT   73   28                                                      
CONECT   74   28                                                      
CONECT   75   29                                                      
CONECT   76   29                                                      
CONECT   77   30                                                      
CONECT   78   30                                                      
CONECT   79   31                                                      
CONECT   80   31                                                      
CONECT   81   32                                                      
CONECT   82   35                                                      
CONECT   83   35                                                      
CONECT   84   40                                                      
CONECT   85   41                                                      
CONECT   86   42                                                      
CONECT   87   48                                                      
CONECT   88   49                                                      
CONECT   89   49                                                      
CONECT   90   50                                                      
CONECT   91   50                                                      
CONECT   92   53                                                      
MASTER        0    0    0    0    0    0    0    0   92    0   92    0
END
