COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       5.930  -3.559  -0.663  1.00  0.00           O  
HETATM    2  C   UNL     1       5.527  -2.622  -0.015  1.00  0.00           C  
HETATM    3  O   UNL     1       5.088  -1.515  -0.636  1.00  0.00           O  
HETATM    4  C   UNL     1       4.619  -0.429   0.205  1.00  0.00           C  
HETATM    5  C   UNL     1       4.162   0.737  -0.675  1.00  0.00           C  
HETATM    6  C   UNL     1       3.668   1.881   0.212  1.00  0.00           C  
HETATM    7  C   UNL     1       4.783   2.362   1.142  1.00  0.00           C  
HETATM    8  O   UNL     1       2.505   1.471   0.975  1.00  0.00           O  
HETATM    9  C   UNL     1       1.446   2.316   0.482  1.00  0.00           C  
HETATM   10  C   UNL     1       0.259   2.399   1.376  1.00  0.00           C  
HETATM   11  O   UNL     1      -0.909   2.918   0.761  1.00  0.00           O  
HETATM   12  C   UNL     1      -0.053   0.996   1.901  1.00  0.00           C  
HETATM   13  O   UNL     1      -0.860   1.095   3.076  1.00  0.00           O  
HETATM   14  C   UNL     1      -1.199  -0.166   3.656  1.00  0.00           C  
HETATM   15  O   UNL     1       2.108   3.593   0.259  1.00  0.00           O  
HETATM   16  C   UNL     1       3.130   3.059  -0.659  1.00  0.00           C  
HETATM   17  O   UNL     1       2.319   2.423  -1.687  1.00  0.00           O  
HETATM   18  C   UNL     1       1.163   1.888  -0.974  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.084   2.615  -1.484  1.00  0.00           C  
HETATM   20  O   UNL     1      -0.432   2.117  -2.777  1.00  0.00           O  
HETATM   21  C   UNL     1      -1.239   2.367  -0.511  1.00  0.00           C  
HETATM   22  O   UNL     1      -1.459   0.961  -0.380  1.00  0.00           O  
HETATM   23  C   UNL     1      -2.747   0.536  -0.799  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.355  -0.536   0.071  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.515  -0.429   0.675  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.484   0.710   0.526  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.852   0.164   0.113  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.611   1.449   1.860  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.721  -1.581   1.625  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.337  -2.219   1.799  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.756  -1.876   0.404  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.114  -3.011  -0.555  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.290  -1.684   0.597  1.00  0.00           C  
HETATM   34  C   UNL     1      -0.398  -1.341  -0.292  1.00  0.00           C  
HETATM   35  C   UNL     1       1.079  -1.290   0.100  1.00  0.00           C  
HETATM   36  C   UNL     1       1.423  -2.385   1.112  1.00  0.00           C  
HETATM   37  O   UNL     1       2.809  -2.303   1.450  1.00  0.00           O  
HETATM   38  C   UNL     1       3.236  -3.286   2.394  1.00  0.00           C  
HETATM   39  O   UNL     1       1.409   0.003   0.604  1.00  0.00           O  
HETATM   40  C   UNL     1       1.786  -1.568  -1.229  1.00  0.00           C  
HETATM   41  C   UNL     1       0.677  -1.774  -2.270  1.00  0.00           C  
HETATM   42  C   UNL     1      -0.452  -0.873  -1.702  1.00  0.00           C  
HETATM   43  C   UNL     1      -1.602  -0.780  -2.644  1.00  0.00           C  
HETATM   44  C   UNL     1      -1.929  -2.112  -3.330  1.00  0.00           C  
HETATM   45  C   UNL     1      -2.848  -0.082  -2.173  1.00  0.00           C  
HETATM   46  O   UNL     1      -4.002  -0.924  -2.292  1.00  0.00           O  
HETATM   47  H   UNL     1       5.515  -2.676   1.063  1.00  0.00           H  
HETATM   48  H   UNL     1       3.782  -0.775   0.812  1.00  0.00           H  
HETATM   49  H   UNL     1       5.427  -0.098   0.856  1.00  0.00           H  
HETATM   50  H   UNL     1       4.999   1.083  -1.281  1.00  0.00           H  
HETATM   51  H   UNL     1       3.354   0.406  -1.326  1.00  0.00           H  
HETATM   52  H   UNL     1       5.620   2.727   0.548  1.00  0.00           H  
HETATM   53  H   UNL     1       4.407   3.168   1.773  1.00  0.00           H  
HETATM   54  H   UNL     1       5.115   1.535   1.769  1.00  0.00           H  
HETATM   55  H   UNL     1       0.511   3.033   2.226  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.590   0.434   1.137  1.00  0.00           H  
HETATM   57  H   UNL     1       0.878   0.484   2.142  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.776  -0.752   2.940  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.287  -0.703   3.915  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.793  -0.004   4.555  1.00  0.00           H  
HETATM   61  H   UNL     1       3.879   3.770  -1.008  1.00  0.00           H  
HETATM   62  H   UNL     1       1.082   0.806  -1.074  1.00  0.00           H  
HETATM   63  H   UNL     1       0.118   3.684  -1.547  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.215   2.535  -3.161  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.143   2.843  -0.890  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.399   1.446  -0.771  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.121   1.398  -0.237  1.00  0.00           H  
HETATM   68  H   UNL     1      -7.555   0.990   0.005  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.762  -0.363  -0.837  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.215  -0.524   0.877  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.656   1.911   2.111  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.377   2.220   1.776  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.889   0.742   2.642  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.081  -1.210   2.581  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.416  -2.297   1.200  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.767  -1.728   2.575  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.405  -3.291   1.924  1.00  0.00           H  
HETATM   78  H   UNL     1      -3.265  -2.607  -1.556  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.303  -3.740  -0.576  1.00  0.00           H  
HETATM   80  H   UNL     1      -4.030  -3.497  -0.218  1.00  0.00           H  
HETATM   81  H   UNL     1      -0.931  -1.815   1.638  1.00  0.00           H  
HETATM   82  H   UNL     1       0.821  -2.250   2.010  1.00  0.00           H  
HETATM   83  H   UNL     1       1.212  -3.361   0.676  1.00  0.00           H  
HETATM   84  H   UNL     1       2.671  -3.171   3.320  1.00  0.00           H  
HETATM   85  H   UNL     1       3.063  -4.282   1.985  1.00  0.00           H  
HETATM   86  H   UNL     1       4.298  -3.157   2.599  1.00  0.00           H  
HETATM   87  H   UNL     1       2.043  -0.009   1.333  1.00  0.00           H  
HETATM   88  H   UNL     1       2.401  -0.716  -1.509  1.00  0.00           H  
HETATM   89  H   UNL     1       2.392  -2.467  -1.150  1.00  0.00           H  
HETATM   90  H   UNL     1       0.986  -1.414  -3.241  1.00  0.00           H  
HETATM   91  H   UNL     1       0.368  -2.811  -2.282  1.00  0.00           H  
HETATM   92  H   UNL     1       0.026   0.149  -1.699  1.00  0.00           H  
HETATM   93  H   UNL     1      -1.224  -0.135  -3.503  1.00  0.00           H  
HETATM   94  H   UNL     1      -2.096  -2.879  -2.574  1.00  0.00           H  
HETATM   95  H   UNL     1      -2.827  -1.997  -3.937  1.00  0.00           H  
HETATM   96  H   UNL     1      -1.094  -2.406  -3.967  1.00  0.00           H  
HETATM   97  H   UNL     1      -3.037   0.761  -2.893  1.00  0.00           H  
HETATM   98  H   UNL     1      -4.840  -0.464  -2.145  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   47                                       
CONECT    3    2    4                                                 
CONECT    4    3    5   48   49                                       
CONECT    5    4    6   50   51                                       
CONECT    6    5    7    8   16                                       
CONECT    7    6   52   53   54                                       
CONECT    8    6    9                                                 
CONECT    9    8   10   15   18                                       
CONECT   10    9   11   12   55                                       
CONECT   11   10   21                                                 
CONECT   12   10   13   56   57                                       
CONECT   13   12   14                                                 
CONECT   14   13   58   59   60                                       
CONECT   15    9   16                                                 
CONECT   16    6   15   17   61                                       
CONECT   17   16   18                                                 
CONECT   18    9   17   19   62                                       
CONECT   19   18   20   21   63                                       
CONECT   20   19   64                                                 
CONECT   21   11   19   22   65                                       
CONECT   22   21   23                                                 
CONECT   23   22   24   45   66                                       
CONECT   24   23   25   25   31                                       
CONECT   25   24   24   26   29                                       
CONECT   26   25   27   28   67                                       
CONECT   27   26   68   69   70                                       
CONECT   28   26   71   72   73                                       
CONECT   29   25   30   74   75                                       
CONECT   30   29   31   76   77                                       
CONECT   31   24   30   32   33                                       
CONECT   32   31   78   79   80                                       
CONECT   33   31   34   34   81                                       
CONECT   34   33   33   35   42                                       
CONECT   35   34   36   39   40                                       
CONECT   36   35   37   82   83                                       
CONECT   37   36   38                                                 
CONECT   38   37   84   85   86                                       
CONECT   39   35   87                                                 
CONECT   40   35   41   88   89                                       
CONECT   41   40   42   90   91                                       
CONECT   42   34   41   43   92                                       
CONECT   43   42   44   45   93                                       
CONECT   44   43   94   95   96                                       
CONECT   45   23   43   46   97                                       
CONECT   46   45   98                                                 
CONECT   47    2                                                      
CONECT   48    4                                                      
CONECT   49    4                                                      
CONECT   50    5                                                      
CONECT   51    5                                                      
CONECT   52    7                                                      
CONECT   53    7                                                      
CONECT   54    7                                                      
CONECT   55   10                                                      
CONECT   56   12                                                      
CONECT   57   12                                                      
CONECT   58   14                                                      
CONECT   59   14                                                      
CONECT   60   14                                                      
CONECT   61   16                                                      
CONECT   62   18                                                      
CONECT   63   19                                                      
CONECT   64   20                                                      
CONECT   65   21                                                      
CONECT   66   23                                                      
CONECT   67   26                                                      
CONECT   68   27                                                      
CONECT   69   27                                                      
CONECT   70   27                                                      
CONECT   71   28                                                      
CONECT   72   28                                                      
CONECT   73   28                                                      
CONECT   74   29                                                      
CONECT   75   29                                                      
CONECT   76   30                                                      
CONECT   77   30                                                      
CONECT   78   32                                                      
CONECT   79   32                                                      
CONECT   80   32                                                      
CONECT   81   33                                                      
CONECT   82   36                                                      
CONECT   83   36                                                      
CONECT   84   38                                                      
CONECT   85   38                                                      
CONECT   86   38                                                      
CONECT   87   39                                                      
CONECT   88   40                                                      
CONECT   89   40                                                      
CONECT   90   41                                                      
CONECT   91   41                                                      
CONECT   92   42                                                      
CONECT   93   43                                                      
CONECT   94   44                                                      
CONECT   95   44                                                      
CONECT   96   44                                                      
CONECT   97   45                                                      
CONECT   98   46                                                      
MASTER        0    0    0    0    0    0    0    0   98    0   98    0
END
