COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.357   5.608   3.729  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.173   5.236   2.256  1.00  0.00           C  
HETATM    3  N   UNL     1      -4.038   4.096   1.926  1.00  0.00           N  
HETATM    4  C   UNL     1      -5.457   4.468   2.018  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.314   3.201   2.068  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.720   3.560   0.596  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.424   2.750   0.670  1.00  0.00           C  
HETATM    8  N   UNL     1      -2.166   2.122  -0.629  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.377   2.830  -1.640  1.00  0.00           C  
HETATM   10  C   UNL     1       0.081   2.490  -1.469  1.00  0.00           C  
HETATM   11  C   UNL     1       0.619   1.406  -2.140  1.00  0.00           C  
HETATM   12  C   UNL     1       1.954   1.090  -1.987  1.00  0.00           C  
HETATM   13  C   UNL     1       2.760   1.864  -1.155  1.00  0.00           C  
HETATM   14  C   UNL     1       2.213   2.954  -0.482  1.00  0.00           C  
HETATM   15  C   UNL     1       0.878   3.265  -0.646  1.00  0.00           C  
HETATM   16  C   UNL     1       4.195   1.529  -0.987  1.00  0.00           C  
HETATM   17  C   UNL     1       5.001   2.303  -0.155  1.00  0.00           C  
HETATM   18  C   UNL     1       6.336   1.987  -0.002  1.00  0.00           C  
HETATM   19  C   UNL     1       6.874   0.904  -0.673  1.00  0.00           C  
HETATM   20  C   UNL     1       6.078   0.132  -1.501  1.00  0.00           C  
HETATM   21  C   UNL     1       4.741   0.435  -1.656  1.00  0.00           C  
HETATM   22  C   UNL     1       8.332   0.563  -0.502  1.00  0.00           C  
HETATM   23  F   UNL     1       8.481  -0.323   0.570  1.00  0.00           F  
HETATM   24  F   UNL     1       8.811  -0.035  -1.673  1.00  0.00           F  
HETATM   25  F   UNL     1       9.057   1.732  -0.245  1.00  0.00           F  
HETATM   26  C   UNL     1      -2.654   0.894  -0.893  1.00  0.00           C  
HETATM   27  O   UNL     1      -2.440   0.375  -1.968  1.00  0.00           O  
HETATM   28  C   UNL     1      -3.465   0.166   0.148  1.00  0.00           C  
HETATM   29  N   UNL     1      -3.877  -1.138  -0.378  1.00  0.00           N  
HETATM   30  C   UNL     1      -5.057  -1.253  -1.060  1.00  0.00           C  
HETATM   31  C   UNL     1      -6.103  -0.214  -1.397  1.00  0.00           C  
HETATM   32  C   UNL     1      -7.362  -1.023  -1.779  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.750  -2.358  -2.258  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.421  -2.457  -1.543  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.567  -3.572  -1.329  1.00  0.00           C  
HETATM   36  O   UNL     1      -4.875  -4.673  -1.758  1.00  0.00           O  
HETATM   37  N   UNL     1      -3.421  -3.408  -0.655  1.00  0.00           N  
HETATM   38  C   UNL     1      -3.079  -2.223  -0.190  1.00  0.00           C  
HETATM   39  S   UNL     1      -1.561  -2.041   0.686  1.00  0.00           S  
HETATM   40  C   UNL     1      -0.957  -3.746   0.625  1.00  0.00           C  
HETATM   41  C   UNL     1       0.370  -3.834   1.334  1.00  0.00           C  
HETATM   42  C   UNL     1       1.543  -3.632   0.631  1.00  0.00           C  
HETATM   43  C   UNL     1       2.761  -3.713   1.279  1.00  0.00           C  
HETATM   44  C   UNL     1       2.806  -3.996   2.634  1.00  0.00           C  
HETATM   45  F   UNL     1       3.995  -4.074   3.269  1.00  0.00           F  
HETATM   46  C   UNL     1       1.630  -4.197   3.337  1.00  0.00           C  
HETATM   47  C   UNL     1       0.413  -4.111   2.687  1.00  0.00           C  
HETATM   48  H   UNL     1      -2.715   6.454   3.973  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.398   5.878   3.908  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.090   4.756   4.354  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.440   6.088   1.630  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.132   4.966   2.077  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.621   5.053   2.923  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.734   5.060   1.146  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.367   3.477   2.122  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.139   2.609   1.170  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.046   2.615   2.947  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.532   2.917   0.259  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.593   4.384  -0.107  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.596   3.411   0.925  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.521   1.978   1.433  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.706   2.529  -2.634  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.515   3.905  -1.522  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.007   0.807  -2.785  1.00  0.00           H  
HETATM   65  H   UNL     1       2.372   0.244  -2.512  1.00  0.00           H  
HETATM   66  H   UNL     1       2.833   3.558   0.165  1.00  0.00           H  
HETATM   67  H   UNL     1       0.454   4.112  -0.127  1.00  0.00           H  
HETATM   68  H   UNL     1       4.582   3.150   0.369  1.00  0.00           H  
HETATM   69  H   UNL     1       6.962   2.586   0.643  1.00  0.00           H  
HETATM   70  H   UNL     1       6.504  -0.713  -2.023  1.00  0.00           H  
HETATM   71  H   UNL     1       4.120  -0.171  -2.298  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.862   0.023   1.044  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.350   0.753   0.395  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.306   0.415  -0.530  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.774   0.396  -2.238  1.00  0.00           H  
HETATM   76  H   UNL     1      -8.004  -1.177  -0.911  1.00  0.00           H  
HETATM   77  H   UNL     1      -7.910  -0.534  -2.584  1.00  0.00           H  
HETATM   78  H   UNL     1      -7.394  -3.191  -1.978  1.00  0.00           H  
HETATM   79  H   UNL     1      -6.600  -2.340  -3.337  1.00  0.00           H  
HETATM   80  H   UNL     1      -1.675  -4.404   1.115  1.00  0.00           H  
HETATM   81  H   UNL     1      -0.835  -4.051  -0.414  1.00  0.00           H  
HETATM   82  H   UNL     1       1.508  -3.412  -0.426  1.00  0.00           H  
HETATM   83  H   UNL     1       3.677  -3.556   0.730  1.00  0.00           H  
HETATM   84  H   UNL     1       1.664  -4.418   4.394  1.00  0.00           H  
HETATM   85  H   UNL     1      -0.504  -4.265   3.236  1.00  0.00           H  
CONECT    1    2   48   49   50                                       
CONECT    2    3    1   51   52                                       
CONECT    3    4    6    2                                            
CONECT    4    5    3   53   54                                       
CONECT    5    4   55   56   57                                       
CONECT    6    3    7   58   59                                       
CONECT    7    6    8   60   61                                       
CONECT    8   26    7    9                                            
CONECT    9    8   10   62   63                                       
CONECT   10    9   15   15   11                                       
CONECT   11   10   12   12   64                                       
CONECT   12   11   11   13   65                                       
CONECT   13   14   14   12   16                                       
CONECT   14   15   13   13   66                                       
CONECT   15   10   10   14   67                                       
CONECT   16   13   21   21   17                                       
CONECT   17   16   18   18   68                                       
CONECT   18   17   17   19   69                                       
CONECT   19   20   20   18   22                                       
CONECT   20   21   19   19   70                                       
CONECT   21   16   16   20   71                                       
CONECT   22   19   24   23   25                                       
CONECT   23   22                                                      
CONECT   24   22                                                      
CONECT   25   22                                                      
CONECT   26   27   27   28    8                                       
CONECT   27   26   26                                                 
CONECT   28   29   26   72   73                                       
CONECT   29   30   38   28                                            
CONECT   30   34   34   31   29                                       
CONECT   31   32   30   74   75                                       
CONECT   32   33   31   76   77                                       
CONECT   33   32   34   78   79                                       
CONECT   34   33   35   30   30                                       
CONECT   35   36   36   34   37                                       
CONECT   36   35   35                                                 
CONECT   37   35   38   38                                            
CONECT   38   37   37   29   39                                       
CONECT   39   38   40                                                 
CONECT   40   39   41   80   81                                       
CONECT   41   40   47   47   42                                       
CONECT   42   41   43   43   82                                       
CONECT   43   42   42   44   83                                       
CONECT   44   46   46   43   45                                       
CONECT   45   44                                                      
CONECT   46   47   44   44   84                                       
CONECT   47   41   41   46   85                                       
CONECT   48    1                                                      
CONECT   49    1                                                      
CONECT   50    1                                                      
CONECT   51    2                                                      
CONECT   52    2                                                      
CONECT   53    4                                                      
CONECT   54    4                                                      
CONECT   55    5                                                      
CONECT   56    5                                                      
CONECT   57    5                                                      
CONECT   58    6                                                      
CONECT   59    6                                                      
CONECT   60    7                                                      
CONECT   61    7                                                      
CONECT   62    9                                                      
CONECT   63    9                                                      
CONECT   64   11                                                      
CONECT   65   12                                                      
CONECT   66   14                                                      
CONECT   67   15                                                      
CONECT   68   17                                                      
CONECT   69   18                                                      
CONECT   70   20                                                      
CONECT   71   21                                                      
CONECT   72   28                                                      
CONECT   73   28                                                      
CONECT   74   31                                                      
CONECT   75   31                                                      
CONECT   76   32                                                      
CONECT   77   32                                                      
CONECT   78   33                                                      
CONECT   79   33                                                      
CONECT   80   40                                                      
CONECT   81   40                                                      
CONECT   82   42                                                      
CONECT   83   43                                                      
CONECT   84   46                                                      
CONECT   85   47                                                      
MASTER        0    0    0    0    0    0    0    0   85    0   85    0
END
