COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.261  -0.684   0.839  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.331   1.264  -1.142  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.299  -3.121  -1.388  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.329  -5.279  -1.204  1.00  0.00           C  
HETATM    5  C   UNL     1       4.695   2.328  -1.289  1.00  0.00           C  
HETATM    6  C   UNL     1       0.224  -0.738   0.738  1.00  0.00           C  
HETATM    7  C   UNL     1       1.328   0.034   1.466  1.00  0.00           C  
HETATM    8  C   UNL     1       2.464   0.211   0.411  1.00  0.00           C  
HETATM    9  C   UNL     1       2.990  -1.242   0.259  1.00  0.00           C  
HETATM   10  C   UNL     1       0.681  -2.009   0.610  1.00  0.00           C  
HETATM   11  C   UNL     1       2.072  -2.023   1.250  1.00  0.00           C  
HETATM   12  O   UNL     1       1.890  -1.026   2.311  1.00  0.00           O  
HETATM   13  C   UNL     1      -0.018  -3.143  -0.019  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.072  -0.210   0.278  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.471  -0.188   0.404  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.510   0.786  -0.586  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.116   0.766  -0.722  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.953  -4.184  -1.972  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.056  -5.303   0.158  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.402  -4.244   0.751  1.00  0.00           C  
HETATM   21  O   UNL     1      -1.974  -6.324  -1.784  1.00  0.00           O  
HETATM   22  O   UNL     1      -4.705   1.280  -1.003  1.00  0.00           O  
HETATM   23  N   UNL     1       4.875   1.376  -0.190  1.00  0.00           N  
HETATM   24  C   UNL     1      -5.879   0.744  -0.389  1.00  0.00           C  
HETATM   25  C   UNL     1      -7.117   1.417  -0.983  1.00  0.00           C  
HETATM   26  C   UNL     1      -8.374   0.843  -0.326  1.00  0.00           C  
HETATM   27  S   UNL     1       3.766   1.309   1.037  1.00  0.00           S  
HETATM   28  O   UNL     1       3.283   2.641   1.148  1.00  0.00           O  
HETATM   29  O   UNL     1       4.465   0.692   2.109  1.00  0.00           O  
HETATM   30  C   UNL     1       5.546   3.573  -1.030  1.00  0.00           C  
HETATM   31  F   UNL     1       6.880   3.196  -0.845  1.00  0.00           F  
HETATM   32  F   UNL     1       5.453   4.437  -2.126  1.00  0.00           F  
HETATM   33  F   UNL     1       5.081   4.225   0.118  1.00  0.00           F  
HETATM   34  H   UNL     1      -2.232  -1.442   1.608  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.365   2.028  -1.905  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.009  -2.270  -1.987  1.00  0.00           H  
HETATM   37  H   UNL     1       5.005   1.865  -2.226  1.00  0.00           H  
HETATM   38  H   UNL     1       3.645   2.612  -1.355  1.00  0.00           H  
HETATM   39  H   UNL     1       1.008   0.938   1.984  1.00  0.00           H  
HETATM   40  H   UNL     1       2.066   0.582  -0.533  1.00  0.00           H  
HETATM   41  H   UNL     1       2.854  -1.600  -0.762  1.00  0.00           H  
HETATM   42  H   UNL     1       4.035  -1.311   0.558  1.00  0.00           H  
HETATM   43  H   UNL     1       2.438  -3.002   1.559  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.391  -0.557   0.834  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.200   1.138  -1.155  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.175  -4.166  -3.029  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.357  -6.152   0.753  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.187  -4.266   1.809  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.384  -7.012  -2.121  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.926  -0.330  -0.571  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.844   0.929   0.685  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.070   2.491  -0.800  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.152   1.232  -2.056  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.422  -0.230  -0.508  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.340   1.028   0.748  1.00  0.00           H  
HETATM   56  C   UNL     1       5.985   0.525  -0.177  1.00  0.00           C  
HETATM   57  C   UNL     1       6.179  -0.381  -1.212  1.00  0.00           C  
HETATM   58  C   UNL     1       7.274  -1.221  -1.199  1.00  0.00           C  
HETATM   59  C   UNL     1       8.182  -1.161  -0.151  1.00  0.00           C  
HETATM   60  C   UNL     1       7.990  -0.258   0.883  1.00  0.00           C  
HETATM   61  C   UNL     1       6.898   0.588   0.868  1.00  0.00           C  
HETATM   62  O   UNL     1       9.260  -1.990  -0.139  1.00  0.00           O  
HETATM   63  C   UNL     1      10.154  -1.874   0.970  1.00  0.00           C  
HETATM   64  H   UNL     1       5.472  -0.428  -2.027  1.00  0.00           H  
HETATM   65  H   UNL     1       7.424  -1.926  -2.003  1.00  0.00           H  
HETATM   66  H   UNL     1       8.696  -0.212   1.698  1.00  0.00           H  
HETATM   67  H   UNL     1       6.748   1.292   1.673  1.00  0.00           H  
HETATM   68  H   UNL     1       9.615  -2.081   1.895  1.00  0.00           H  
HETATM   69  H   UNL     1      10.969  -2.590   0.857  1.00  0.00           H  
HETATM   70  H   UNL     1      10.561  -0.863   1.006  1.00  0.00           H  
HETATM   71  C   UNL     1      -9.613   1.517  -0.919  1.00  0.00           C  
HETATM   72  N   UNL     1     -10.820   0.965  -0.289  1.00  0.00           N  
HETATM   73  C   UNL     1     -12.009   1.746  -0.655  1.00  0.00           C  
HETATM   74  C   UNL     1     -13.260   1.061  -0.102  1.00  0.00           C  
HETATM   75  C   UNL     1     -13.147   0.955   1.422  1.00  0.00           C  
HETATM   76  C   UNL     1     -11.875   0.180   1.778  1.00  0.00           C  
HETATM   77  C   UNL     1     -10.663   0.890   1.170  1.00  0.00           C  
HETATM   78  H   UNL     1      -9.566   2.590  -0.737  1.00  0.00           H  
HETATM   79  H   UNL     1      -9.648   1.332  -1.993  1.00  0.00           H  
HETATM   80  H   UNL     1     -11.928   2.749  -0.237  1.00  0.00           H  
HETATM   81  H   UNL     1     -12.080   1.810  -1.741  1.00  0.00           H  
HETATM   82  H   UNL     1     -14.141   1.649  -0.361  1.00  0.00           H  
HETATM   83  H   UNL     1     -13.349   0.063  -0.530  1.00  0.00           H  
HETATM   84  H   UNL     1     -13.097   1.954   1.854  1.00  0.00           H  
HETATM   85  H   UNL     1     -14.016   0.429   1.816  1.00  0.00           H  
HETATM   86  H   UNL     1     -11.766   0.138   2.861  1.00  0.00           H  
HETATM   87  H   UNL     1     -11.942  -0.832   1.378  1.00  0.00           H  
HETATM   88  H   UNL     1      -9.758   0.333   1.409  1.00  0.00           H  
HETATM   89  H   UNL     1     -10.589   1.897   1.580  1.00  0.00           H  
CONECT    1   14   14   15   34                                       
CONECT    2   17   17   16   35                                       
CONECT    3   13   13   18   36                                       
CONECT    4   18   18   19   21                                       
CONECT    5   30   23   37   38                                       
CONECT    6    7   10   10   14                                       
CONECT    7    8   12    6   39                                       
CONECT    8   27    9    7   40                                       
CONECT    9    8   11   41   42                                       
CONECT   10   11    6    6   13                                       
CONECT   11    9   10   12   43                                       
CONECT   12   11    7                                                 
CONECT   13   10    3    3   20                                       
CONECT   14   17    6    1    1                                       
CONECT   15   16   16    1   44                                       
CONECT   16    2   22   15   15                                       
CONECT   17    2    2   14   45                                       
CONECT   18    3    4    4   46                                       
CONECT   19   20   20    4   47                                       
CONECT   20   13   19   19   48                                       
CONECT   21    4   49                                                 
CONECT   22   16   24                                                 
CONECT   23    5   27   56                                            
CONECT   24   22   25   50   51                                       
CONECT   25   24   26   52   53                                       
CONECT   26   25   54   55   71                                       
CONECT   27   23   28   28   29                                       
CONECT   27   29    8                                                 
CONECT   28   27   27                                                 
CONECT   29   27   27                                                 
CONECT   30   32    5   31   33                                       
CONECT   31   30                                                      
CONECT   32   30                                                      
CONECT   33   30                                                      
CONECT   34    1                                                      
CONECT   35    2                                                      
CONECT   36    3                                                      
CONECT   37    5                                                      
CONECT   38    5                                                      
CONECT   39    7                                                      
CONECT   40    8                                                      
CONECT   41    9                                                      
CONECT   42    9                                                      
CONECT   43   11                                                      
CONECT   44   15                                                      
CONECT   45   17                                                      
CONECT   46   18                                                      
CONECT   47   19                                                      
CONECT   48   20                                                      
CONECT   49   21                                                      
CONECT   50   24                                                      
CONECT   51   24                                                      
CONECT   52   25                                                      
CONECT   53   25                                                      
CONECT   54   26                                                      
CONECT   55   26                                                      
CONECT   56   23   57   61   61                                       
CONECT   57   56   58   58   64                                       
CONECT   58   57   57   59   65                                       
CONECT   59   58   60   60   62                                       
CONECT   60   59   59   61   66                                       
CONECT   61   60   56   56   67                                       
CONECT   62   59   63                                                 
CONECT   63   62   68   69   70                                       
CONECT   64   57                                                      
CONECT   65   58                                                      
CONECT   66   60                                                      
CONECT   67   61                                                      
CONECT   68   63                                                      
CONECT   69   63                                                      
CONECT   70   63                                                      
CONECT   71   26   72   78   79                                       
CONECT   72   71   73   77                                            
CONECT   73   72   74   80   81                                       
CONECT   74   73   75   82   83                                       
CONECT   75   74   76   84   85                                       
CONECT   76   75   77   86   87                                       
CONECT   77   76   72   88   89                                       
CONECT   78   71                                                      
CONECT   79   71                                                      
CONECT   80   73                                                      
CONECT   81   73                                                      
CONECT   82   74                                                      
CONECT   83   74                                                      
CONECT   84   75                                                      
CONECT   85   75                                                      
CONECT   86   76                                                      
CONECT   87   76                                                      
CONECT   88   77                                                      
CONECT   89   77                                                      
MASTER        0    0    0    0    0    0    0    0   89    0   89    0
END
