COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -8.229  -0.796   0.148  1.00  0.00           N  
HETATM    2  C   UNL     1      -9.679  -0.850  -0.078  1.00  0.00           C  
HETATM    3  C   UNL     1      -9.773  -3.020   1.153  1.00  0.00           C  
HETATM    4  C   UNL     1      -8.264  -2.908   1.390  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.867  -1.430   1.423  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.112  -6.420   0.670  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.933  -5.011   0.102  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.112  -4.168   1.080  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.941  -2.818   0.537  1.00  0.00           N  
HETATM   10  N   UNL     1      -1.800  -1.730   0.750  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.316  -0.690   0.099  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.138  -1.098  -0.543  1.00  0.00           C  
HETATM   13  C   UNL     1       0.776  -0.275  -1.418  1.00  0.00           C  
HETATM   14  N   UNL     1       2.004  -1.064  -1.631  1.00  0.00           N  
HETATM   15  C   UNL     1       1.869  -2.493  -1.946  1.00  0.00           C  
HETATM   16  C   UNL     1       1.240  -3.216  -0.748  1.00  0.00           C  
HETATM   17  C   UNL     1       0.070  -2.405  -0.249  1.00  0.00           C  
HETATM   18  C   UNL     1       3.219  -0.488  -1.540  1.00  0.00           C  
HETATM   19  O   UNL     1       3.312   0.693  -1.280  1.00  0.00           O  
HETATM   20  C   UNL     1       4.461  -1.311  -1.761  1.00  0.00           C  
HETATM   21  C   UNL     1       5.697  -0.423  -1.602  1.00  0.00           C  
HETATM   22  C   UNL     1       6.952  -1.228  -1.948  1.00  0.00           C  
HETATM   23  C   UNL     1       8.183  -0.326  -1.820  1.00  0.00           C  
HETATM   24  N   UNL     1       8.199   0.266  -0.476  1.00  0.00           N  
HETATM   25  C   UNL     1       7.006   0.985  -0.007  1.00  0.00           C  
HETATM   26  C   UNL     1       5.788   0.069  -0.155  1.00  0.00           C  
HETATM   27  C   UNL     1       9.285   0.151   0.313  1.00  0.00           C  
HETATM   28  O   UNL     1      10.263  -0.445  -0.085  1.00  0.00           O  
HETATM   29  C   UNL     1       9.286   0.764   1.690  1.00  0.00           C  
HETATM   30  N   UNL     1      10.575   0.502   2.342  1.00  0.00           N  
HETATM   31  C   UNL     1      11.667   1.199   1.650  1.00  0.00           C  
HETATM   32  C   UNL     1      10.531   0.873   3.763  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.914   0.667   0.049  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.092   1.791  -0.001  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.649   3.054  -0.047  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.022   3.208  -0.044  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.850   2.092   0.005  1.00  0.00           C  
HETATM   38  C   UNL     1      -3.297   0.820   0.047  1.00  0.00           C  
HETATM   39  S   UNL     1      -5.601   2.293   0.009  1.00  0.00           S  
HETATM   40  C   UNL     1      -6.207   0.585   0.080  1.00  0.00           C  
HETATM   41  C   UNL     1      -7.737   0.587   0.090  1.00  0.00           C  
HETATM   42  C   UNL     1     -10.130  -2.310  -0.156  1.00  0.00           C  
HETATM   43  C   UNL     1      -3.624   4.589  -0.094  1.00  0.00           C  
HETATM   44  F   UNL     1      -4.408   4.798   1.046  1.00  0.00           F  
HETATM   45  F   UNL     1      -2.601   5.542  -0.138  1.00  0.00           F  
HETATM   46  F   UNL     1      -4.421   4.709  -1.237  1.00  0.00           F  
HETATM   47  H   UNL     1     -10.193  -0.354   0.744  1.00  0.00           H  
HETATM   48  H   UNL     1      -9.919  -0.345  -1.014  1.00  0.00           H  
HETATM   49  H   UNL     1     -10.054  -4.071   1.086  1.00  0.00           H  
HETATM   50  H   UNL     1     -10.308  -2.552   1.979  1.00  0.00           H  
HETATM   51  H   UNL     1      -8.010  -3.374   2.342  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.731  -3.411   0.584  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.791  -1.347   1.577  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.390  -0.931   2.238  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.134  -6.881   0.814  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.631  -6.364   1.627  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.697  -7.021  -0.026  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.414  -5.067  -0.854  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.911  -4.551  -0.041  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.631  -4.111   2.037  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.134  -4.628   1.224  1.00  0.00           H  
HETATM   62  H   UNL     1       0.294  -0.075  -2.374  1.00  0.00           H  
HETATM   63  H   UNL     1       1.020   0.664  -0.920  1.00  0.00           H  
HETATM   64  H   UNL     1       1.231  -2.615  -2.821  1.00  0.00           H  
HETATM   65  H   UNL     1       2.853  -2.915  -2.150  1.00  0.00           H  
HETATM   66  H   UNL     1       0.897  -4.204  -1.056  1.00  0.00           H  
HETATM   67  H   UNL     1       1.979  -3.317   0.047  1.00  0.00           H  
HETATM   68  H   UNL     1       4.497  -2.119  -1.030  1.00  0.00           H  
HETATM   69  H   UNL     1       4.444  -1.732  -2.767  1.00  0.00           H  
HETATM   70  H   UNL     1       5.618   0.433  -2.272  1.00  0.00           H  
HETATM   71  H   UNL     1       7.045  -2.070  -1.262  1.00  0.00           H  
HETATM   72  H   UNL     1       6.876  -1.597  -2.971  1.00  0.00           H  
HETATM   73  H   UNL     1       9.087  -0.918  -1.969  1.00  0.00           H  
HETATM   74  H   UNL     1       8.137   0.465  -2.569  1.00  0.00           H  
HETATM   75  H   UNL     1       7.133   1.259   1.041  1.00  0.00           H  
HETATM   76  H   UNL     1       6.864   1.885  -0.605  1.00  0.00           H  
HETATM   77  H   UNL     1       4.883   0.622   0.098  1.00  0.00           H  
HETATM   78  H   UNL     1       5.892  -0.786   0.514  1.00  0.00           H  
HETATM   79  H   UNL     1       9.132   1.840   1.609  1.00  0.00           H  
HETATM   80  H   UNL     1       8.483   0.326   2.283  1.00  0.00           H  
HETATM   81  H   UNL     1      11.480   2.272   1.664  1.00  0.00           H  
HETATM   82  H   UNL     1      12.611   0.987   2.153  1.00  0.00           H  
HETATM   83  H   UNL     1      11.721   0.853   0.617  1.00  0.00           H  
HETATM   84  H   UNL     1       9.760   0.291   4.267  1.00  0.00           H  
HETATM   85  H   UNL     1      11.499   0.669   4.222  1.00  0.00           H  
HETATM   86  H   UNL     1      10.303   1.935   3.854  1.00  0.00           H  
HETATM   87  H   UNL     1      -0.018   1.675  -0.003  1.00  0.00           H  
HETATM   88  H   UNL     1      -1.010   3.924  -0.085  1.00  0.00           H  
HETATM   89  H   UNL     1      -3.938  -0.048   0.085  1.00  0.00           H  
HETATM   90  H   UNL     1      -5.851   0.036  -0.791  1.00  0.00           H  
HETATM   91  H   UNL     1      -5.839   0.106   0.988  1.00  0.00           H  
HETATM   92  H   UNL     1      -8.106   1.066  -0.817  1.00  0.00           H  
HETATM   93  H   UNL     1      -8.094   1.136   0.962  1.00  0.00           H  
HETATM   94  H   UNL     1     -11.209  -2.349  -0.308  1.00  0.00           H  
HETATM   95  H   UNL     1      -9.626  -2.803  -0.987  1.00  0.00           H  
CONECT    1   41    5    2                                            
CONECT    2    1   42   47   48                                       
CONECT    3    4   42   49   50                                       
CONECT    4    5    3   51   52                                       
CONECT    5    1    4   53   54                                       
CONECT    6    7   55   56   57                                       
CONECT    7    8    6   58   59                                       
CONECT    8    9    7   60   61                                       
CONECT    9   10   17    8                                            
CONECT   10   11   11    9                                            
CONECT   11   33   12   10   10                                       
CONECT   12   11   13   17   17                                       
CONECT   13   12   14   62   63                                       
CONECT   14   13   18   15                                            
CONECT   15   14   16   64   65                                       
CONECT   16   17   15   66   67                                       
CONECT   17   12   12    9   16                                       
CONECT   18   19   19   14   20                                       
CONECT   19   18   18                                                 
CONECT   20   18   21   68   69                                       
CONECT   21   20   26   22   70                                       
CONECT   22   21   23   71   72                                       
CONECT   23   22   24   73   74                                       
CONECT   24   25   23   27                                            
CONECT   25   26   24   75   76                                       
CONECT   26   21   25   77   78                                       
CONECT   27   24   28   28   29                                       
CONECT   28   27   27                                                 
CONECT   29   27   30   79   80                                       
CONECT   30   32   29   31                                            
CONECT   31   30   81   82   83                                       
CONECT   32   30   84   85   86                                       
CONECT   33   34   34   38   11                                       
CONECT   34   35   33   33   87                                       
CONECT   35   36   36   34   88                                       
CONECT   36   43   35   35   37                                       
CONECT   37   36   39   38   38                                       
CONECT   38   37   37   33   89                                       
CONECT   39   37   40                                                 
CONECT   40   39   41   90   91                                       
CONECT   41   40    1   92   93                                       
CONECT   42    2    3   94   95                                       
CONECT   43   46   44   45   36                                       
CONECT   44   43                                                      
CONECT   45   43                                                      
CONECT   46   43                                                      
CONECT   47    2                                                      
CONECT   48    2                                                      
CONECT   49    3                                                      
CONECT   50    3                                                      
CONECT   51    4                                                      
CONECT   52    4                                                      
CONECT   53    5                                                      
CONECT   54    5                                                      
CONECT   55    6                                                      
CONECT   56    6                                                      
CONECT   57    6                                                      
CONECT   58    7                                                      
CONECT   59    7                                                      
CONECT   60    8                                                      
CONECT   61    8                                                      
CONECT   62   13                                                      
CONECT   63   13                                                      
CONECT   64   15                                                      
CONECT   65   15                                                      
CONECT   66   16                                                      
CONECT   67   16                                                      
CONECT   68   20                                                      
CONECT   69   20                                                      
CONECT   70   21                                                      
CONECT   71   22                                                      
CONECT   72   22                                                      
CONECT   73   23                                                      
CONECT   74   23                                                      
CONECT   75   25                                                      
CONECT   76   25                                                      
CONECT   77   26                                                      
CONECT   78   26                                                      
CONECT   79   29                                                      
CONECT   80   29                                                      
CONECT   81   31                                                      
CONECT   82   31                                                      
CONECT   83   31                                                      
CONECT   84   32                                                      
CONECT   85   32                                                      
CONECT   86   32                                                      
CONECT   87   34                                                      
CONECT   88   35                                                      
CONECT   89   38                                                      
CONECT   90   40                                                      
CONECT   91   40                                                      
CONECT   92   41                                                      
CONECT   93   41                                                      
CONECT   94   42                                                      
CONECT   95   42                                                      
MASTER        0    0    0    0    0    0    0    0   95    0   95    0
END
