COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1      -4.683   4.344  -0.760  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.845   2.124  -1.542  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.485   2.877  -0.373  1.00  0.00           C  
HETATM    4  N   UNL     1      -6.084  -2.525  -1.296  1.00  0.00           N  
HETATM    5  C   UNL     1      -6.775  -4.216   0.355  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.086  -3.152  -0.646  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.988  -1.425  -0.889  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.542  -0.275  -1.362  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.677  -2.768  -0.929  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.368  -1.587  -2.392  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.913  -0.181  -1.982  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.716  -1.120  -0.383  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.383   5.129   1.512  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.083   5.836   2.676  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.400   7.111   1.134  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.714   6.416  -0.045  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.691   6.317  -1.219  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.767  -2.080   0.234  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.398  -1.922   0.047  1.00  0.00           C  
HETATM   20  C   UNL     1       0.488  -2.828   0.631  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.006  -3.887   1.400  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.367  -4.035   1.580  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.247  -3.136   1.008  1.00  0.00           C  
HETATM   24  C   UNL     1       1.900  -2.674   0.443  1.00  0.00           C  
HETATM   25  C   UNL     1       3.057  -2.548   0.289  1.00  0.00           C  
HETATM   26  C   UNL     1       4.468  -2.394   0.101  1.00  0.00           C  
HETATM   27  C   UNL     1       5.357  -3.301   0.685  1.00  0.00           C  
HETATM   28  C   UNL     1       6.714  -3.147   0.499  1.00  0.00           C  
HETATM   29  C   UNL     1       7.198  -2.097  -0.263  1.00  0.00           C  
HETATM   30  C   UNL     1       6.323  -1.195  -0.845  1.00  0.00           C  
HETATM   31  C   UNL     1       4.962  -1.340  -0.673  1.00  0.00           C  
HETATM   32  C   UNL     1       6.858  -0.058  -1.678  1.00  0.00           C  
HETATM   33  C   UNL     1       7.954   2.098  -1.575  1.00  0.00           C  
HETATM   34  C   UNL     1       8.523   3.132  -0.638  1.00  0.00           C  
HETATM   35  C   UNL     1       7.716   4.143  -0.153  1.00  0.00           C  
HETATM   36  C   UNL     1       8.238   5.093   0.706  1.00  0.00           C  
HETATM   37  C   UNL     1       9.567   5.030   1.079  1.00  0.00           C  
HETATM   38  C   UNL     1      10.375   4.018   0.595  1.00  0.00           C  
HETATM   39  C   UNL     1       9.851   3.066  -0.261  1.00  0.00           C  
HETATM   40  N   UNL     1      -3.655   0.719  -1.172  1.00  0.00           N  
HETATM   41  N   UNL     1      -2.516   0.172  -0.553  1.00  0.00           N  
HETATM   42  N   UNL     1      -7.765  -4.751   1.099  1.00  0.00           N  
HETATM   43  N   UNL     1      -5.297   5.067   0.362  1.00  0.00           N  
HETATM   44  N   UNL     1       7.422   0.972  -0.796  1.00  0.00           N  
HETATM   45  O   UNL     1      -8.239  -2.851  -0.876  1.00  0.00           O  
HETATM   46  O   UNL     1      -5.633  -4.600   0.500  1.00  0.00           O  
HETATM   47  O   UNL     1      -5.508   7.134   2.252  1.00  0.00           O  
HETATM   48 CL   UNL     1       8.909  -1.910  -0.491  1.00  0.00          Cl  
HETATM   49 CL   UNL     1       1.092  -5.021   2.122  1.00  0.00          Cl  
HETATM   50  H   UNL     1      -3.718   4.791  -0.996  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.335   4.405  -1.631  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.497   2.185  -2.414  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.880   2.572  -1.778  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.833   2.816   0.498  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.450   2.429  -0.137  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.626  -3.241   0.051  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.204  -3.405  -1.676  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.828  -1.898  -3.287  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.439  -1.578  -2.597  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.615   0.230  -1.257  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.873   0.463  -2.861  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.487   5.683   1.235  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.107   4.118   1.813  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.949   5.253   2.988  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.390   5.935   3.511  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.660   8.132   0.854  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.305   6.565   1.401  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.839   6.992  -0.348  1.00  0.00           H  
HETATM   69  H   UNL     1      -7.002   7.318  -1.518  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.201   5.822  -2.058  1.00  0.00           H  
HETATM   71  H   UNL     1      -7.564   5.740  -0.916  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.023  -1.103  -0.548  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.746  -4.853   2.174  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.310  -3.257   1.153  1.00  0.00           H  
HETATM   75  H   UNL     1       4.981  -4.120   1.280  1.00  0.00           H  
HETATM   76  H   UNL     1       7.403  -3.847   0.950  1.00  0.00           H  
HETATM   77  H   UNL     1       4.281  -0.636  -1.127  1.00  0.00           H  
HETATM   78  H   UNL     1       7.635  -0.431  -2.345  1.00  0.00           H  
HETATM   79  H   UNL     1       6.048   0.372  -2.268  1.00  0.00           H  
HETATM   80  H   UNL     1       7.153   2.543  -2.164  1.00  0.00           H  
HETATM   81  H   UNL     1       8.739   1.740  -2.241  1.00  0.00           H  
HETATM   82  H   UNL     1       6.677   4.192  -0.445  1.00  0.00           H  
HETATM   83  H   UNL     1       7.607   5.883   1.085  1.00  0.00           H  
HETATM   84  H   UNL     1       9.975   5.772   1.750  1.00  0.00           H  
HETATM   85  H   UNL     1      11.413   3.969   0.886  1.00  0.00           H  
HETATM   86  H   UNL     1      10.481   2.273  -0.636  1.00  0.00           H  
HETATM   87  H   UNL     1      -7.563  -5.442   1.749  1.00  0.00           H  
HETATM   88  H   UNL     1      -8.678  -4.444   0.984  1.00  0.00           H  
HETATM   89  H   UNL     1       8.130   0.582  -0.192  1.00  0.00           H  
CONECT    1   43    3   50   51                                       
CONECT    2   40    3   52   53                                       
CONECT    3    1    2   54   55                                       
CONECT    4    9    6   10                                            
CONECT    5   42   46   46    6                                       
CONECT    6    5    4   45   45                                       
CONECT    7   12    9    8    8                                       
CONECT    8    7    7   40   11                                       
CONECT    9    7    4   56   57                                       
CONECT   10    4   11   58   59                                       
CONECT   11    8   10   60   61                                       
CONECT   12   18   41   41    7                                       
CONECT   13   14   43   62   63                                       
CONECT   14   13   47   64   65                                       
CONECT   15   47   16   66   67                                       
CONECT   16   43   15   17   68                                       
CONECT   17   16   69   70   71                                       
CONECT   18   23   23   19   12                                       
CONECT   19   20   20   18   72                                       
CONECT   20   21   24   19   19                                       
CONECT   21   49   22   22   20                                       
CONECT   22   21   21   23   73                                       
CONECT   23   22   18   18   74                                       
CONECT   24   25   25   25   20                                       
CONECT   25   26   24   24   24                                       
CONECT   26   31   25   27   27                                       
CONECT   27   26   26   28   75                                       
CONECT   28   29   29   27   76                                       
CONECT   29   30   48   28   28                                       
CONECT   30   32   31   31   29                                       
CONECT   31   30   30   26   77                                       
CONECT   32   44   30   78   79                                       
CONECT   33   34   44   80   81                                       
CONECT   34   35   33   39   39                                       
CONECT   35   36   36   34   82                                       
CONECT   36   35   35   37   83                                       
CONECT   37   36   38   38   84                                       
CONECT   38   37   37   39   85                                       
CONECT   39   34   34   38   86                                       
CONECT   40   41    8    2                                            
CONECT   41   12   12   40                                            
CONECT   42    5   87   88                                            
CONECT   43   13    1   16                                            
CONECT   44   33   32   89                                            
CONECT   45    6    6                                                 
CONECT   46    5    5                                                 
CONECT   47   14   15                                                 
CONECT   48   29                                                      
CONECT   49   21                                                      
CONECT   50    1                                                      
CONECT   51    1                                                      
CONECT   52    2                                                      
CONECT   53    2                                                      
CONECT   54    3                                                      
CONECT   55    3                                                      
CONECT   56    9                                                      
CONECT   57    9                                                      
CONECT   58   10                                                      
CONECT   59   10                                                      
CONECT   60   11                                                      
CONECT   61   11                                                      
CONECT   62   13                                                      
CONECT   63   13                                                      
CONECT   64   14                                                      
CONECT   65   14                                                      
CONECT   66   15                                                      
CONECT   67   15                                                      
CONECT   68   16                                                      
CONECT   69   17                                                      
CONECT   70   17                                                      
CONECT   71   17                                                      
CONECT   72   19                                                      
CONECT   73   22                                                      
CONECT   74   23                                                      
CONECT   75   27                                                      
CONECT   76   28                                                      
CONECT   77   31                                                      
CONECT   78   32                                                      
CONECT   79   32                                                      
CONECT   80   33                                                      
CONECT   81   33                                                      
CONECT   82   35                                                      
CONECT   83   36                                                      
CONECT   84   37                                                      
CONECT   85   38                                                      
CONECT   86   39                                                      
CONECT   87   42                                                      
CONECT   88   42                                                      
CONECT   89   44                                                      
MASTER        0    0    0    0    0    0    0    0   89    0   89    0
END
