COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.628   4.231   0.711  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.530   3.272  -0.477  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.133   1.943  -0.101  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.282  -2.490  -0.165  1.00  0.00           C  
HETATM    5  C   UNL     1       1.010  -1.887  -0.532  1.00  0.00           C  
HETATM    6  C   UNL     1       3.192  -0.966  -0.307  1.00  0.00           C  
HETATM    7  C   UNL     1       5.374   0.209  -0.229  1.00  0.00           C  
HETATM    8  C   UNL     1       6.851   0.037   0.015  1.00  0.00           C  
HETATM    9  C   UNL     1       7.694  -0.271  -1.037  1.00  0.00           C  
HETATM   10  C   UNL     1       9.562  -0.280   0.462  1.00  0.00           C  
HETATM   11  C   UNL     1       8.719   0.035   1.513  1.00  0.00           C  
HETATM   12  C   UNL     1       0.615  -1.002  -1.527  1.00  0.00           C  
HETATM   13  O   UNL     1      -5.730   0.616  -1.459  1.00  0.00           O  
HETATM   14  C   UNL     1      -5.235  -0.312  -0.855  1.00  0.00           C  
HETATM   15  N   UNL     1      -6.016  -1.303  -0.384  1.00  0.00           N  
HETATM   16  C   UNL     1      -7.459  -1.317  -0.664  1.00  0.00           C  
HETATM   17  C   UNL     1      -8.217  -1.438   0.661  1.00  0.00           C  
HETATM   18  C   UNL     1      -7.713  -2.665   1.423  1.00  0.00           C  
HETATM   19  C   UNL     1      -8.493  -2.808   2.732  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.224  -2.500   1.733  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.442  -2.394   0.415  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.745  -0.355  -0.631  1.00  0.00           C  
HETATM   23  N   UNL     1      -3.158   0.936  -0.997  1.00  0.00           N  
HETATM   24  O   UNL     1      -3.596   1.779   1.008  1.00  0.00           O  
HETATM   25  C   UNL     1      -2.015   5.580   0.329  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.849   6.223  -0.781  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.000   6.498   1.553  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.132  -1.457  -1.497  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.671  -1.609  -1.157  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.724  -0.866  -1.837  1.00  0.00           C  
HETATM   31  C   UNL     1       0.056  -2.631   0.149  1.00  0.00           C  
HETATM   32  N   UNL     1       2.366  -2.027  -0.216  1.00  0.00           N  
HETATM   33  O   UNL     1       2.747   0.127  -0.586  1.00  0.00           O  
HETATM   34  C   UNL     1       4.669  -1.138  -0.064  1.00  0.00           C  
HETATM   35  C   UNL     1       7.364   0.192   1.289  1.00  0.00           C  
HETATM   36 CL   UNL     1      11.263  -0.480   0.743  1.00  0.00          Cl  
HETATM   37  C   UNL     1       9.049  -0.430  -0.814  1.00  0.00           C  
HETATM   38  H   UNL     1      -3.675   4.370   0.979  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.087   3.814   1.561  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.070   3.689  -1.327  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.482   3.132  -0.746  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.024  -3.065   0.368  1.00  0.00           H  
HETATM   43  H   UNL     1       4.969   0.922   0.489  1.00  0.00           H  
HETATM   44  H   UNL     1       5.214   0.582  -1.241  1.00  0.00           H  
HETATM   45  H   UNL     1       7.293  -0.388  -2.033  1.00  0.00           H  
HETATM   46  H   UNL     1       9.120   0.157   2.508  1.00  0.00           H  
HETATM   47  H   UNL     1       1.355  -0.421  -2.059  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.742  -0.391  -1.165  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.699  -2.168  -1.301  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.048  -0.543   1.260  1.00  0.00           H  
HETATM   51  H   UNL     1      -9.283  -1.546   0.461  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.860  -3.557   0.813  1.00  0.00           H  
HETATM   53  H   UNL     1      -9.554  -2.928   2.511  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.134  -3.683   3.275  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.347  -1.917   3.341  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.073  -1.595   2.321  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.871  -3.363   2.296  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.521  -3.331  -0.136  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.394  -2.179   0.626  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.542  -0.562   0.419  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.788   1.067  -1.884  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.995   5.429  -0.024  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.869   6.374  -0.427  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.412   7.184  -1.053  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.860   5.569  -1.653  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.406   6.040   2.344  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.563   7.459   1.281  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.020   6.649   1.906  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.648  -2.398  -1.308  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.234  -1.192  -2.549  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.031  -0.178  -2.611  1.00  0.00           H  
HETATM   72  H   UNL     1       0.359  -3.319   0.924  1.00  0.00           H  
HETATM   73  H   UNL     1       2.711  -2.887   0.069  1.00  0.00           H  
HETATM   74  H   UNL     1       4.830  -1.511   0.948  1.00  0.00           H  
HETATM   75  H   UNL     1       5.075  -1.851  -0.782  1.00  0.00           H  
HETATM   76  H   UNL     1       6.706   0.437   2.110  1.00  0.00           H  
HETATM   77  H   UNL     1       9.707  -0.672  -1.636  1.00  0.00           H  
CONECT    1    2   25   38   39                                       
CONECT    2    3    1   40   41                                       
CONECT    3    2   23   24   24                                       
CONECT    4   31   31   29   42                                       
CONECT    5   31   32   12   12                                       
CONECT    6   33   33   34   32                                       
CONECT    7    8   34   43   44                                       
CONECT    8   35    7    9    9                                       
CONECT    9    8    8   37   45                                       
CONECT   10   11   36   37   37                                       
CONECT   11   35   35   10   46                                       
CONECT   12    5    5   30   47                                       
CONECT   13   14   14                                                 
CONECT   14   13   13   15   22                                       
CONECT   15   16   14   21                                            
CONECT   16   17   15   48   49                                       
CONECT   17   16   18   50   51                                       
CONECT   18   17   19   20   52                                       
CONECT   19   18   53   54   55                                       
CONECT   20   18   21   56   57                                       
CONECT   21   15   20   58   59                                       
CONECT   22   14   28   23   60                                       
CONECT   23    3   22   61                                            
CONECT   24    3    3                                                 
CONECT   25   26    1   27   62                                       
CONECT   26   25   63   64   65                                       
CONECT   27   25   66   67   68                                       
CONECT   28   22   29   69   70                                       
CONECT   29    4   28   30   30                                       
CONECT   30   29   29   12   71                                       
CONECT   31    4    4    5   72                                       
CONECT   32    6    5   73                                            
CONECT   33    6    6                                                 
CONECT   34    7    6   74   75                                       
CONECT   35   11   11    8   76                                       
CONECT   36   10                                                      
CONECT   37   10   10    9   77                                       
CONECT   38    1                                                      
CONECT   39    1                                                      
CONECT   40    2                                                      
CONECT   41    2                                                      
CONECT   42    4                                                      
CONECT   43    7                                                      
CONECT   44    7                                                      
CONECT   45    9                                                      
CONECT   46   11                                                      
CONECT   47   12                                                      
CONECT   48   16                                                      
CONECT   49   16                                                      
CONECT   50   17                                                      
CONECT   51   17                                                      
CONECT   52   18                                                      
CONECT   53   19                                                      
CONECT   54   19                                                      
CONECT   55   19                                                      
CONECT   56   20                                                      
CONECT   57   20                                                      
CONECT   58   21                                                      
CONECT   59   21                                                      
CONECT   60   22                                                      
CONECT   61   23                                                      
CONECT   62   25                                                      
CONECT   63   26                                                      
CONECT   64   26                                                      
CONECT   65   26                                                      
CONECT   66   27                                                      
CONECT   67   27                                                      
CONECT   68   27                                                      
CONECT   69   28                                                      
CONECT   70   28                                                      
CONECT   71   30                                                      
CONECT   72   31                                                      
CONECT   73   32                                                      
CONECT   74   34                                                      
CONECT   75   34                                                      
CONECT   76   35                                                      
CONECT   77   37                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
