COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.029   5.904  -0.580  1.00  0.00           C  
HETATM    2  C   UNL     1       2.286   3.886  -1.177  1.00  0.00           C  
HETATM    3  C   UNL     1       2.634   2.880  -0.073  1.00  0.00           C  
HETATM    4  C   UNL     1       1.388   2.116   0.299  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.202   3.787  -0.739  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.763   1.561   0.517  1.00  0.00           C  
HETATM    7  C   UNL     1       2.439   0.160   1.458  1.00  0.00           C  
HETATM    8  C   UNL     1       2.888  -0.826   0.378  1.00  0.00           C  
HETATM    9  C   UNL     1       4.146  -1.559   0.849  1.00  0.00           C  
HETATM   10  C   UNL     1       5.110  -1.613  -1.372  1.00  0.00           C  
HETATM   11  C   UNL     1       7.415  -1.618  -0.413  1.00  0.00           C  
HETATM   12  C   UNL     1       6.280  -0.730  -0.931  1.00  0.00           C  
HETATM   13  C   UNL     1       6.893  -2.480   0.740  1.00  0.00           C  
HETATM   14  C   UNL     1       8.564  -0.739   0.086  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.244   1.607   0.426  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.910   2.828   0.496  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.288   2.870   0.410  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.010   1.703   0.255  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.354   0.479   0.184  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.969   0.430   0.264  1.00  0.00           C  
HETATM   21  C   UNL     1       5.705  -3.312   0.250  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.993  -2.287  -0.049  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.635  -3.640  -0.216  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.398  -4.780  -0.176  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.984  -6.093  -0.887  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.128  -7.050  -0.461  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.361  -6.123  -0.428  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.514   1.756   0.163  1.00  0.00           C  
HETATM   29  C   UNL     1       2.309   6.696  -0.671  1.00  0.00           C  
HETATM   30  C   UNL     1       9.698  -1.627   0.603  1.00  0.00           C  
HETATM   31  C   UNL     1       9.080   0.128  -1.064  1.00  0.00           C  
HETATM   32  C   UNL     1       0.127   2.517   0.009  1.00  0.00           C  
HETATM   33  F   UNL     1      -6.925   1.222  -1.063  1.00  0.00           F  
HETATM   34  F   UNL     1      -7.071   1.010   1.207  1.00  0.00           F  
HETATM   35  F   UNL     1      -6.940   3.085   0.259  1.00  0.00           F  
HETATM   36  N   UNL     1      -0.049   0.612   1.091  1.00  0.00           N  
HETATM   37  N   UNL     1       1.307   0.947   0.961  1.00  0.00           N  
HETATM   38  N   UNL     1       4.646  -2.417  -0.234  1.00  0.00           N  
HETATM   39  N   UNL     1       1.038   4.579  -0.823  1.00  0.00           N  
HETATM   40  N   UNL     1      -3.869  -4.747  -0.269  1.00  0.00           N  
HETATM   41  O   UNL     1       1.847  -1.773   0.135  1.00  0.00           O  
HETATM   42  O   UNL     1      -0.007   6.460  -0.284  1.00  0.00           O  
HETATM   43  O   UNL     1      -5.841  -3.732  -0.302  1.00  0.00           O  
HETATM   44  O   UNL     1       8.097   0.101   1.143  1.00  0.00           O  
HETATM   45  S   UNL     1      -5.279  -1.008  -0.013  1.00  0.00           S  
HETATM   46  H   UNL     1       3.092   4.614  -1.274  1.00  0.00           H  
HETATM   47  H   UNL     1       2.155   3.359  -2.122  1.00  0.00           H  
HETATM   48  H   UNL     1       3.392   2.186  -0.437  1.00  0.00           H  
HETATM   49  H   UNL     1       3.013   3.411   0.799  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.557   3.546  -1.741  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.965   4.348  -0.199  1.00  0.00           H  
HETATM   52  H   UNL     1       2.135  -0.390   2.349  1.00  0.00           H  
HETATM   53  H   UNL     1       3.264   0.827   1.707  1.00  0.00           H  
HETATM   54  H   UNL     1       3.107  -0.282  -0.541  1.00  0.00           H  
HETATM   55  H   UNL     1       4.911  -0.832   1.119  1.00  0.00           H  
HETATM   56  H   UNL     1       3.905  -2.173   1.717  1.00  0.00           H  
HETATM   57  H   UNL     1       4.294  -0.983  -1.727  1.00  0.00           H  
HETATM   58  H   UNL     1       5.436  -2.273  -2.175  1.00  0.00           H  
HETATM   59  H   UNL     1       7.771  -2.261  -1.218  1.00  0.00           H  
HETATM   60  H   UNL     1       6.634  -0.145  -1.779  1.00  0.00           H  
HETATM   61  H   UNL     1       5.951  -0.060  -0.137  1.00  0.00           H  
HETATM   62  H   UNL     1       7.685  -3.145   1.085  1.00  0.00           H  
HETATM   63  H   UNL     1       6.575  -1.837   1.560  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.349   3.743   0.617  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.802   3.818   0.465  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.457  -0.519   0.209  1.00  0.00           H  
HETATM   67  H   UNL     1       6.028  -3.965  -0.561  1.00  0.00           H  
HETATM   68  H   UNL     1       5.322  -3.917   1.072  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.431  -2.263   0.885  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.318  -2.100  -0.884  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.084  -4.798   0.867  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.965  -3.919  -0.687  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.966  -5.962  -1.969  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.021  -6.448  -0.522  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.261  -7.843  -1.197  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.932  -7.471   0.525  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.917  -6.212  -1.362  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.003  -6.389   0.412  1.00  0.00           H  
HETATM   79  H   UNL     1       2.435   7.067  -1.688  1.00  0.00           H  
HETATM   80  H   UNL     1       2.266   7.537   0.020  1.00  0.00           H  
HETATM   81  H   UNL     1       3.151   6.055  -0.412  1.00  0.00           H  
HETATM   82  H   UNL     1      10.054  -2.268  -0.203  1.00  0.00           H  
HETATM   83  H   UNL     1      10.516  -1.001   0.959  1.00  0.00           H  
HETATM   84  H   UNL     1       9.330  -2.245   1.423  1.00  0.00           H  
HETATM   85  H   UNL     1       8.272   0.760  -1.433  1.00  0.00           H  
HETATM   86  H   UNL     1       9.898   0.754  -0.709  1.00  0.00           H  
HETATM   87  H   UNL     1       9.436  -0.513  -1.871  1.00  0.00           H  
HETATM   88  H   UNL     1       1.600  -2.294   0.911  1.00  0.00           H  
HETATM   89  H   UNL     1       7.755  -0.382   1.908  1.00  0.00           H  
CONECT    1   42   42   39   29                                       
CONECT    2   39    3   46   47                                       
CONECT    3    4    2   48   49                                       
CONECT    4   32   32   37    3                                       
CONECT    5   32   39   50   51                                       
CONECT    6   15   36   36   32                                       
CONECT    7   37    8   52   53                                       
CONECT    8    7    9   41   54                                       
CONECT    9    8   38   55   56                                       
CONECT   10   38   12   57   58                                       
CONECT   11   13   12   14   59                                       
CONECT   12   11   10   60   61                                       
CONECT   13   21   11   62   63                                       
CONECT   14   11   44   30   31                                       
CONECT   15   16   16   20    6                                       
CONECT   16   17   15   15   64                                       
CONECT   17   18   18   16   65                                       
CONECT   18   28   17   17   19                                       
CONECT   19   18   45   20   20                                       
CONECT   20   19   19   15   66                                       
CONECT   21   38   13   67   68                                       
CONECT   22   45   23   69   70                                       
CONECT   23   43   43   22   40                                       
CONECT   24   40   25   71   72                                       
CONECT   25   26   24   73   74                                       
CONECT   26   27   25   75   76                                       
CONECT   27   40   26   77   78                                       
CONECT   28   34   33   35   18                                       
CONECT   29    1   79   80   81                                       
CONECT   30   14   82   83   84                                       
CONECT   31   14   85   86   87                                       
CONECT   32    6    5    4    4                                       
CONECT   33   28                                                      
CONECT   34   28                                                      
CONECT   35   28                                                      
CONECT   36    6    6   37                                            
CONECT   37   36    4    7                                            
CONECT   38   21    9   10                                            
CONECT   39    5    1    2                                            
CONECT   40   23   27   24                                            
CONECT   41    8   88                                                 
CONECT   42    1    1                                                 
CONECT   43   23   23                                                 
CONECT   44   14   89                                                 
CONECT   45   19   22                                                 
CONECT   46    2                                                      
CONECT   47    2                                                      
CONECT   48    3                                                      
CONECT   49    3                                                      
CONECT   50    5                                                      
CONECT   51    5                                                      
CONECT   52    7                                                      
CONECT   53    7                                                      
CONECT   54    8                                                      
CONECT   55    9                                                      
CONECT   56    9                                                      
CONECT   57   10                                                      
CONECT   58   10                                                      
CONECT   59   11                                                      
CONECT   60   12                                                      
CONECT   61   12                                                      
CONECT   62   13                                                      
CONECT   63   13                                                      
CONECT   64   16                                                      
CONECT   65   17                                                      
CONECT   66   20                                                      
CONECT   67   21                                                      
CONECT   68   21                                                      
CONECT   69   22                                                      
CONECT   70   22                                                      
CONECT   71   24                                                      
CONECT   72   24                                                      
CONECT   73   25                                                      
CONECT   74   25                                                      
CONECT   75   26                                                      
CONECT   76   26                                                      
CONECT   77   27                                                      
CONECT   78   27                                                      
CONECT   79   29                                                      
CONECT   80   29                                                      
CONECT   81   29                                                      
CONECT   82   30                                                      
CONECT   83   30                                                      
CONECT   84   30                                                      
CONECT   85   31                                                      
CONECT   86   31                                                      
CONECT   87   31                                                      
CONECT   88   41                                                      
CONECT   89   44                                                      
MASTER        0    0    0    0    0    0    0    0   89    0   89    0
END
