COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.140  -2.022  -1.362  1.00  0.00           C  
HETATM    2  C   UNL     1       6.155  -3.351  -0.662  1.00  0.00           C  
HETATM    3  C   UNL     1       4.209  -4.657   0.006  1.00  0.00           C  
HETATM    4  C   UNL     1       2.982  -3.826  -0.301  1.00  0.00           C  
HETATM    5  C   UNL     1       0.383  -2.664   1.607  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.730  -2.298   0.525  1.00  0.00           C  
HETATM    7  C   UNL     1      15.035   5.885   0.489  1.00  0.00           C  
HETATM    8  C   UNL     1      15.079   5.411  -0.817  1.00  0.00           C  
HETATM    9  C   UNL     1      14.197   4.438  -1.230  1.00  0.00           C  
HETATM   10  C   UNL     1      13.254   3.925  -0.331  1.00  0.00           C  
HETATM   11  C   UNL     1      12.311   2.886  -0.766  1.00  0.00           C  
HETATM   12  C   UNL     1      11.958   1.896   0.082  1.00  0.00           C  
HETATM   13  C   UNL     1      12.661   1.753   1.407  1.00  0.00           C  
HETATM   14  C   UNL     1      10.893   0.964  -0.285  1.00  0.00           C  
HETATM   15  C   UNL     1       9.459  -0.847   0.260  1.00  0.00           C  
HETATM   16  C   UNL     1       9.208  -1.207  -1.061  1.00  0.00           C  
HETATM   17  C   UNL     1       7.304  -2.482  -0.341  1.00  0.00           C  
HETATM   18  C   UNL     1       3.788  -5.483   1.238  1.00  0.00           C  
HETATM   19  C   UNL     1       2.367  -5.031   1.499  1.00  0.00           C  
HETATM   20  C   UNL     1       0.765  -3.503   0.566  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.857  -2.065   1.591  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.060  -1.659   0.505  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.114  -1.198  -0.597  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.736  -0.761   0.569  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.931  -0.084   0.506  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.529   0.168  -0.734  1.00  0.00           C  
HETATM   27  C   UNL     1      -8.809   0.893  -0.803  1.00  0.00           C  
HETATM   28  C   UNL     1     -10.669   1.907   0.273  1.00  0.00           C  
HETATM   29  C   UNL     1     -11.066   2.587  -0.875  1.00  0.00           C  
HETATM   30  C   UNL     1     -12.309   3.173  -0.939  1.00  0.00           C  
HETATM   31  C   UNL     1     -13.180   3.089   0.152  1.00  0.00           C  
HETATM   32  C   UNL     1     -14.510   3.715   0.085  1.00  0.00           C  
HETATM   33  C   UNL     1     -12.782   2.405   1.311  1.00  0.00           C  
HETATM   34  C   UNL     1     -11.529   1.812   1.364  1.00  0.00           C  
HETATM   35  C   UNL     1     -11.440  -0.248   2.550  1.00  0.00           C  
HETATM   36  C   UNL     1      -6.905  -0.271  -1.911  1.00  0.00           C  
HETATM   37  C   UNL     1      -5.696  -0.949  -1.837  1.00  0.00           C  
HETATM   38  C   UNL     1      -4.170  -0.476  -3.599  1.00  0.00           C  
HETATM   39  C   UNL     1      -1.341  -3.138  -0.522  1.00  0.00           C  
HETATM   40  C   UNL     1      -0.101  -3.737  -0.497  1.00  0.00           C  
HETATM   41  C   UNL     1       7.559  -2.119   0.984  1.00  0.00           C  
HETATM   42  C   UNL     1       8.632  -1.309   1.280  1.00  0.00           C  
HETATM   43  C   UNL     1      13.214   4.405   0.983  1.00  0.00           C  
HETATM   44  C   UNL     1      14.100   5.379   1.385  1.00  0.00           C  
HETATM   45  N   UNL     1      10.541  -0.024   0.562  1.00  0.00           N  
HETATM   46  N   UNL     1       5.350  -3.795   0.324  1.00  0.00           N  
HETATM   47  N   UNL     1       2.023  -4.113   0.588  1.00  0.00           N  
HETATM   48  N   UNL     1      -3.901  -1.884  -0.524  1.00  0.00           N  
HETATM   49  N   UNL     1      -9.406   1.315   0.329  1.00  0.00           N  
HETATM   50  O   UNL     1      15.910   6.841   0.893  1.00  0.00           O  
HETATM   51  O   UNL     1       1.654  -5.437   2.391  1.00  0.00           O  
HETATM   52  O   UNL     1     -14.890   4.372  -1.029  1.00  0.00           O  
HETATM   53  O   UNL     1     -15.266   3.641   1.034  1.00  0.00           O  
HETATM   54  O   UNL     1     -13.624   2.314   2.372  1.00  0.00           O  
HETATM   55  O   UNL     1     -11.137   1.147   2.484  1.00  0.00           O  
HETATM   56  O   UNL     1      -9.327   1.112  -1.881  1.00  0.00           O  
HETATM   57  O   UNL     1      -7.479  -0.031  -3.117  1.00  0.00           O  
HETATM   58  O   UNL     1      -5.086  -1.378  -2.975  1.00  0.00           O  
HETATM   59  O   UNL     1      -3.398  -0.928   1.417  1.00  0.00           O  
HETATM   60  O   UNL     1       2.884  -3.027  -1.207  1.00  0.00           O  
HETATM   61  O   UNL     1       5.935  -3.667  -1.815  1.00  0.00           O  
HETATM   62  O   UNL     1      10.325   1.079  -1.355  1.00  0.00           O  
HETATM   63  H   UNL     1       7.946  -2.301  -2.387  1.00  0.00           H  
HETATM   64  H   UNL     1       4.447  -5.313  -0.832  1.00  0.00           H  
HETATM   65  H   UNL     1       1.058  -2.485   2.431  1.00  0.00           H  
HETATM   66  H   UNL     1      15.807   5.808  -1.509  1.00  0.00           H  
HETATM   67  H   UNL     1      14.233   4.072  -2.245  1.00  0.00           H  
HETATM   68  H   UNL     1      11.900   2.913  -1.765  1.00  0.00           H  
HETATM   69  H   UNL     1      12.133   2.334   2.164  1.00  0.00           H  
HETATM   70  H   UNL     1      12.676   0.703   1.699  1.00  0.00           H  
HETATM   71  H   UNL     1      13.684   2.120   1.317  1.00  0.00           H  
HETATM   72  H   UNL     1       9.851  -0.847  -1.850  1.00  0.00           H  
HETATM   73  H   UNL     1       3.816  -6.549   1.014  1.00  0.00           H  
HETATM   74  H   UNL     1       4.428  -5.253   2.091  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.155  -1.417   2.402  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.277  -0.955   1.528  1.00  0.00           H  
HETATM   77  H   UNL     1      -7.410   0.252   1.414  1.00  0.00           H  
HETATM   78  H   UNL     1     -10.395   2.654  -1.719  1.00  0.00           H  
HETATM   79  H   UNL     1     -12.611   3.700  -1.832  1.00  0.00           H  
HETATM   80  H   UNL     1     -10.958  -0.764   1.720  1.00  0.00           H  
HETATM   81  H   UNL     1     -11.074  -0.655   3.493  1.00  0.00           H  
HETATM   82  H   UNL     1     -12.519  -0.389   2.489  1.00  0.00           H  
HETATM   83  H   UNL     1      -3.755  -0.940  -4.494  1.00  0.00           H  
HETATM   84  H   UNL     1      -4.692   0.440  -3.875  1.00  0.00           H  
HETATM   85  H   UNL     1      -3.363  -0.239  -2.905  1.00  0.00           H  
HETATM   86  H   UNL     1      -2.013  -3.320  -1.347  1.00  0.00           H  
HETATM   87  H   UNL     1       0.201  -4.386  -1.306  1.00  0.00           H  
HETATM   88  H   UNL     1       6.915  -2.473   1.775  1.00  0.00           H  
HETATM   89  H   UNL     1       8.830  -1.028   2.303  1.00  0.00           H  
HETATM   90  H   UNL     1      12.488   4.013   1.680  1.00  0.00           H  
HETATM   91  H   UNL     1      14.069   5.749   2.399  1.00  0.00           H  
HETATM   92  H   UNL     1      11.041  -0.161   1.382  1.00  0.00           H  
HETATM   93  H   UNL     1       5.526  -3.543   1.244  1.00  0.00           H  
HETATM   94  H   UNL     1      -3.662  -2.523  -1.214  1.00  0.00           H  
HETATM   95  H   UNL     1      -8.959   1.207   1.183  1.00  0.00           H  
HETATM   96  H   UNL     1      15.592   7.745   0.763  1.00  0.00           H  
HETATM   97  H   UNL     1     -15.773   4.767  -1.027  1.00  0.00           H  
HETATM   98  H   UNL     1     -13.530   3.034   3.011  1.00  0.00           H  
HETATM   99  H   UNL     1      -7.209   0.805  -3.521  1.00  0.00           H  
CONECT    1   16   16   17   63                                       
CONECT    2   17   61   61   46                                       
CONECT    3   46   18    4   64                                       
CONECT    4   47    3   60   60                                       
CONECT    5   20   20   21   65                                       
CONECT    6   39   22   21   21                                       
CONECT    7   50   44   44    8                                       
CONECT    8    7    9    9   66                                       
CONECT    9    8    8   10   67                                       
CONECT   10   43   43    9   11                                       
CONECT   11   10   12   12   68                                       
CONECT   12   11   11   14   13                                       
CONECT   13   12   69   70   71                                       
CONECT   14   12   45   62   62                                       
CONECT   15   45   42   42   16                                       
CONECT   16   15    1    1   72                                       
CONECT   17   41   41    1    2                                       
CONECT   18   19    3   73   74                                       
CONECT   19   51   51   47   18                                       
CONECT   20   40   47    5    5                                       
CONECT   21    6    6    5   75                                       
CONECT   22   59   59   48    6                                       
CONECT   23   37   48   24   24                                       
CONECT   24   23   23   25   76                                       
CONECT   25   26   26   24   77                                       
CONECT   26   36   27   25   25                                       
CONECT   27   49   26   56   56                                       
CONECT   28   34   49   29   29                                       
CONECT   29   28   28   30   78                                       
CONECT   30   31   31   29   79                                       
CONECT   31   33   32   30   30                                       
CONECT   32   53   53   31   52                                       
CONECT   33   54   34   34   31                                       
CONECT   34   55   33   33   28                                       
CONECT   35   55   80   81   82                                       
CONECT   36   57   37   37   26                                       
CONECT   37   58   36   36   23                                       
CONECT   38   58   83   84   85                                       
CONECT   39   40   40    6   86                                       
CONECT   40   39   39   20   87                                       
CONECT   41   42   17   17   88                                       
CONECT   42   15   15   41   89                                       
CONECT   43   44   10   10   90                                       
CONECT   44    7    7   43   91                                       
CONECT   45   14   15   92                                            
CONECT   46    2    3   93                                            
CONECT   47   19   20    4                                            
CONECT   48   22   23   94                                            
CONECT   49   28   27   95                                            
CONECT   50    7   96                                                 
CONECT   51   19   19                                                 
CONECT   52   32   97                                                 
CONECT   53   32   32                                                 
CONECT   54   33   98                                                 
CONECT   55   34   35                                                 
CONECT   56   27   27                                                 
CONECT   57   36   99                                                 
CONECT   58   37   38                                                 
CONECT   59   22   22                                                 
CONECT   60    4    4                                                 
CONECT   61    2    2                                                 
CONECT   62   14   14                                                 
CONECT   63    1                                                      
CONECT   64    3                                                      
CONECT   65    5                                                      
CONECT   66    8                                                      
CONECT   67    9                                                      
CONECT   68   11                                                      
CONECT   69   13                                                      
CONECT   70   13                                                      
CONECT   71   13                                                      
CONECT   72   16                                                      
CONECT   73   18                                                      
CONECT   74   18                                                      
CONECT   75   21                                                      
CONECT   76   24                                                      
CONECT   77   25                                                      
CONECT   78   29                                                      
CONECT   79   30                                                      
CONECT   80   35                                                      
CONECT   81   35                                                      
CONECT   82   35                                                      
CONECT   83   38                                                      
CONECT   84   38                                                      
CONECT   85   38                                                      
CONECT   86   39                                                      
CONECT   87   40                                                      
CONECT   88   41                                                      
CONECT   89   42                                                      
CONECT   90   43                                                      
CONECT   91   44                                                      
CONECT   92   45                                                      
CONECT   93   46                                                      
CONECT   94   48                                                      
CONECT   95   49                                                      
CONECT   96   50                                                      
CONECT   97   52                                                      
CONECT   98   54                                                      
CONECT   99   57                                                      
MASTER        0    0    0    0    0    0    0    0   99    0   99    0
END
