COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.411   1.282   8.517  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.133   1.983   4.578  1.00  0.00           C  
HETATM    3  C   UNL     1       2.021   3.118   5.125  1.00  0.00           C  
HETATM    4  C   UNL     1       1.173   1.274   6.585  1.00  0.00           C  
HETATM    5  C   UNL     1       0.394  -0.045   6.597  1.00  0.00           C  
HETATM    6  C   UNL     1       1.054  -1.013   5.608  1.00  0.00           C  
HETATM    7  C   UNL     1       1.162  -0.332   4.241  1.00  0.00           C  
HETATM    8  C   UNL     1       1.273   1.784   5.145  1.00  0.00           C  
HETATM    9 CL   UNL     1       2.791  -2.924   1.123  1.00  0.00          Cl  
HETATM   10  C   UNL     1       1.573  -0.697   2.072  1.00  0.00           C  
HETATM   11  C   UNL     1       2.015  -1.381   0.951  1.00  0.00           C  
HETATM   12  C   UNL     1       1.831  -0.831  -0.310  1.00  0.00           C  
HETATM   13  C   UNL     1       2.089  -0.976  -2.644  1.00  0.00           C  
HETATM   14  C   UNL     1       1.474   0.272  -2.854  1.00  0.00           C  
HETATM   15  C   UNL     1       1.020   0.997  -1.769  1.00  0.00           C  
HETATM   16  C   UNL     1       1.205   0.421  -0.430  1.00  0.00           C  
HETATM   17  C   UNL     1       0.770   1.101   0.711  1.00  0.00           C  
HETATM   18  C   UNL     1       0.954   0.544   1.944  1.00  0.00           C  
HETATM   19  C   UNL     1       0.648   0.064  -5.081  1.00  0.00           C  
HETATM   20  C   UNL     1       0.584   0.540  -6.476  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.108  -0.199  -7.437  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.170   0.250  -8.738  1.00  0.00           C  
HETATM   23  C   UNL     1       0.465   1.433  -9.096  1.00  0.00           C  
HETATM   24  C   UNL     1       1.160   2.169  -8.144  1.00  0.00           C  
HETATM   25  C   UNL     1       1.222   1.729  -6.841  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.922  -0.543  -9.774  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.356  -0.081  -9.818  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.322  -0.911  -9.510  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.758  -0.501  -9.707  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.996  -2.274  -8.958  1.00  0.00           C  
HETATM   31  N   UNL     1       1.322   0.777  -4.156  1.00  0.00           N  
HETATM   32  O   UNL     1       2.486   1.060   7.107  1.00  0.00           O  
HETATM   33  O   UNL     1      -0.981   0.197   6.202  1.00  0.00           O  
HETATM   34  O   UNL     1       1.977   0.833   4.345  1.00  0.00           O  
HETATM   35  O   UNL     1       1.749  -1.238   3.305  1.00  0.00           O  
HETATM   36  O   UNL     1       0.423   2.201  -1.934  1.00  0.00           O  
HETATM   37  O   UNL     1       2.250  -1.486  -1.413  1.00  0.00           O  
HETATM   38  O   UNL     1       2.487  -1.610  -3.606  1.00  0.00           O  
HETATM   39  O   UNL     1       0.092  -0.969  -4.765  1.00  0.00           O  
HETATM   40  O   UNL     1       0.407   1.870 -10.380  1.00  0.00           O  
HETATM   41  C   UNL     1      -5.575  -0.481   6.074  1.00  0.00           C  
HETATM   42  C   UNL     1      -4.462  -1.059   6.692  1.00  0.00           C  
HETATM   43  C   UNL     1      -3.357  -0.339   6.285  1.00  0.00           C  
HETATM   44  N   UNL     1      -3.797   0.646   5.431  1.00  0.00           N  
HETATM   45  C   UNL     1      -5.138   0.550   5.312  1.00  0.00           C  
HETATM   46  C   UNL     1      -6.009   1.445   4.469  1.00  0.00           C  
HETATM   47  C   UNL     1      -1.969  -0.584   6.683  1.00  0.00           C  
HETATM   48  O   UNL     1      -1.707  -1.493   7.449  1.00  0.00           O  
HETATM   49  O   UNL     1       0.260  -2.195   5.494  1.00  0.00           O  
HETATM   50  H   UNL     1       3.394   1.129   8.962  1.00  0.00           H  
HETATM   51  H   UNL     1       2.081   2.304   8.706  1.00  0.00           H  
HETATM   52  H   UNL     1       1.700   0.584   8.958  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.651   1.024   4.544  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.688   2.672   5.214  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.064   2.394   3.571  1.00  0.00           H  
HETATM   56  H   UNL     1       2.087   3.483   4.100  1.00  0.00           H  
HETATM   57  H   UNL     1       1.484   3.845   5.736  1.00  0.00           H  
HETATM   58  H   UNL     1       3.024   2.978   5.526  1.00  0.00           H  
HETATM   59  H   UNL     1       0.653   2.011   7.197  1.00  0.00           H  
HETATM   60  H   UNL     1       0.417  -0.474   7.599  1.00  0.00           H  
HETATM   61  H   UNL     1       2.050  -1.275   5.964  1.00  0.00           H  
HETATM   62  H   UNL     1       0.167  -0.050   3.897  1.00  0.00           H  
HETATM   63  H   UNL     1       0.290   2.063   0.618  1.00  0.00           H  
HETATM   64  H   UNL     1       0.617   1.069   2.826  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.602  -1.118  -7.159  1.00  0.00           H  
HETATM   66  H   UNL     1       1.653   3.088  -8.427  1.00  0.00           H  
HETATM   67  H   UNL     1       1.762   2.301  -6.102  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.462  -0.394 -10.751  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.890  -1.601  -9.515  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.587   0.934 -10.104  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.414  -1.316  -9.398  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.970   0.383  -9.107  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.931  -0.276 -10.760  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.921  -2.352  -8.793  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.519  -2.418  -8.012  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.311  -3.039  -9.668  1.00  0.00           H  
HETATM   77  H   UNL     1       1.702   1.638  -4.390  1.00  0.00           H  
HETATM   78  H   UNL     1       0.335   2.341  -2.887  1.00  0.00           H  
HETATM   79  H   UNL     1       1.165   1.486 -10.841  1.00  0.00           H  
HETATM   80  H   UNL     1      -6.600  -0.803   6.182  1.00  0.00           H  
HETATM   81  H   UNL     1      -4.466  -1.904   7.364  1.00  0.00           H  
HETATM   82  H   UNL     1      -3.236   1.302   4.988  1.00  0.00           H  
HETATM   83  H   UNL     1      -5.557   2.435   4.404  1.00  0.00           H  
HETATM   84  H   UNL     1      -6.102   1.022   3.468  1.00  0.00           H  
HETATM   85  H   UNL     1      -6.996   1.524   4.923  1.00  0.00           H  
HETATM   86  H   UNL     1       0.710  -2.774   4.864  1.00  0.00           H  
CONECT    1   32   50   51   52                                       
CONECT    2    8   53   54   55                                       
CONECT    3    8   56   57   58                                       
CONECT    4    5    8   32   59                                       
CONECT    5    4    6   33   60                                       
CONECT    6    5    7   49   61                                       
CONECT    7    6   34   35   62                                       
CONECT    8    2    3    4   34                                       
CONECT    9   11                                                      
CONECT   10   11   11   18   35                                       
CONECT   11    9   10   10   12                                       
CONECT   12   11   16   16   37                                       
CONECT   13   14   37   38   38                                       
CONECT   14   13   15   15   31                                       
CONECT   15   14   14   16   36                                       
CONECT   16   12   12   15   17                                       
CONECT   17   16   18   18   63                                       
CONECT   18   10   17   17   64                                       
CONECT   19   20   31   39   39                                       
CONECT   20   19   21   21   25                                       
CONECT   21   20   20   22   65                                       
CONECT   22   21   23   23   26                                       
CONECT   23   22   22   24   40                                       
CONECT   24   23   25   25   66                                       
CONECT   25   20   24   24   67                                       
CONECT   26   22   27   68   69                                       
CONECT   27   26   28   28   70                                       
CONECT   28   27   27   29   30                                       
CONECT   29   28   71   72   73                                       
CONECT   30   28   74   75   76                                       
CONECT   31   14   19   77                                            
CONECT   32    1    4                                                 
CONECT   33    5   47                                                 
CONECT   34    7    8                                                 
CONECT   35    7   10                                                 
CONECT   36   15   78                                                 
CONECT   37   12   13                                                 
CONECT   38   13   13                                                 
CONECT   39   19   19                                                 
CONECT   40   23   79                                                 
CONECT   41   42   45   45   80                                       
CONECT   42   41   43   43   81                                       
CONECT   43   42   42   44   47                                       
CONECT   44   43   45   82                                            
CONECT   45   41   41   44   46                                       
CONECT   46   45   83   84   85                                       
CONECT   47   33   43   48   48                                       
CONECT   48   47   47                                                 
CONECT   49    6   86                                                 
CONECT   50    1                                                      
CONECT   51    1                                                      
CONECT   52    1                                                      
CONECT   53    2                                                      
CONECT   54    2                                                      
CONECT   55    2                                                      
CONECT   56    3                                                      
CONECT   57    3                                                      
CONECT   58    3                                                      
CONECT   59    4                                                      
CONECT   60    5                                                      
CONECT   61    6                                                      
CONECT   62    7                                                      
CONECT   63   17                                                      
CONECT   64   18                                                      
CONECT   65   21                                                      
CONECT   66   24                                                      
CONECT   67   25                                                      
CONECT   68   26                                                      
CONECT   69   26                                                      
CONECT   70   27                                                      
CONECT   71   29                                                      
CONECT   72   29                                                      
CONECT   73   29                                                      
CONECT   74   30                                                      
CONECT   75   30                                                      
CONECT   76   30                                                      
CONECT   77   31                                                      
CONECT   78   36                                                      
CONECT   79   40                                                      
CONECT   80   41                                                      
CONECT   81   42                                                      
CONECT   82   44                                                      
CONECT   83   46                                                      
CONECT   84   46                                                      
CONECT   85   46                                                      
CONECT   86   49                                                      
MASTER        0    0    0    0    0    0    0    0   86    0   86    0
END
