COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -5.297   3.021  -0.656  1.00  0.00           N1+
HETATM    2  C   UNL     1      -5.982   2.815   0.621  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.203   1.341   0.914  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.097   0.463   0.396  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.037   0.970  -0.329  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.946   2.451  -0.596  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.151  -0.897   0.658  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.170  -1.742   0.180  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.109  -1.238  -0.586  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.053   0.128  -0.827  1.00  0.00           C  
HETATM   11  O   UNL     1      -2.222  -2.090  -1.069  1.00  0.00           O  
HETATM   12  C   UNL     1      -1.013  -2.570  -0.813  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.929  -3.899  -0.360  1.00  0.00           C  
HETATM   14  C   UNL     1       0.300  -4.465  -0.097  1.00  0.00           C  
HETATM   15  C   UNL     1       1.457  -3.731  -0.303  1.00  0.00           C  
HETATM   16  C   UNL     1       1.390  -2.429  -0.747  1.00  0.00           C  
HETATM   17  C   UNL     1       0.156  -1.844  -0.973  1.00  0.00           C  
HETATM   18  C   UNL     1       2.628  -1.628  -1.036  1.00  0.00           C  
HETATM   19  C   UNL     1       3.540  -1.411   0.165  1.00  0.00           C  
HETATM   20  N   UNL     1       4.595  -2.370   0.330  1.00  0.00           N1+
HETATM   21  C   UNL     1       5.936  -1.839   0.589  1.00  0.00           C  
HETATM   22  C   UNL     1       6.315  -0.820  -0.496  1.00  0.00           C  
HETATM   23  C   UNL     1       5.339   0.323  -0.302  1.00  0.00           C  
HETATM   24  C   UNL     1       4.045   0.009   0.031  1.00  0.00           C  
HETATM   25  C   UNL     1       5.751   1.627  -0.458  1.00  0.00           C  
HETATM   26  C   UNL     1       4.857   2.667  -0.238  1.00  0.00           C  
HETATM   27  C   UNL     1       3.553   2.370   0.147  1.00  0.00           C  
HETATM   28  C   UNL     1       3.145   1.058   0.285  1.00  0.00           C  
HETATM   29  O   UNL     1       1.919   0.711   0.665  1.00  0.00           O  
HETATM   30  C   UNL     1       0.734   1.305   0.574  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.016   1.431   1.746  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.253   2.033   1.719  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.749   2.512   0.526  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.012   2.405  -0.640  1.00  0.00           C  
HETATM   35  C   UNL     1       0.227   1.794  -0.619  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.114   3.151   0.474  1.00  0.00           C  
HETATM   37  O   UNL     1      -4.236  -3.073   0.451  1.00  0.00           O  
HETATM   38  C   UNL     1      -5.345  -3.522   1.234  1.00  0.00           C  
HETATM   39  O   UNL     1      -2.062  -4.632  -0.186  1.00  0.00           O  
HETATM   40  O   UNL     1       5.249   3.960  -0.389  1.00  0.00           O  
HETATM   41  C   UNL     1       6.605   4.185  -0.779  1.00  0.00           C  
HETATM   42  O   UNL     1       2.681   3.383   0.405  1.00  0.00           O  
HETATM   43  C   UNL     1      -6.054   2.383  -1.746  1.00  0.00           C  
HETATM   44  C   UNL     1       4.256  -3.172   1.539  1.00  0.00           C  
HETATM   45  C   UNL     1       4.717  -3.319  -0.780  1.00  0.00           C  
HETATM   46  C   UNL     1       2.716   3.951   1.716  1.00  0.00           C  
HETATM   47  C   UNL     1      -5.227   4.463  -0.949  1.00  0.00           C  
HETATM   48  C   UNL     1      -1.903  -5.975   0.276  1.00  0.00           C  
HETATM   49  H   UNL     1      -5.407   3.273   1.429  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.954   3.323   0.583  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.277   1.208   1.999  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.147   1.016   0.468  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.474   2.591  -1.572  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.971  -1.296   1.235  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.241   0.531  -1.412  1.00  0.00           H  
HETATM   56  H   UNL     1       0.364  -5.479   0.270  1.00  0.00           H  
HETATM   57  H   UNL     1       2.404  -4.211  -0.117  1.00  0.00           H  
HETATM   58  H   UNL     1       0.103  -0.807  -1.266  1.00  0.00           H  
HETATM   59  H   UNL     1       3.119  -1.987  -1.923  1.00  0.00           H  
HETATM   60  H   UNL     1       2.262  -0.616  -1.336  1.00  0.00           H  
HETATM   61  H   UNL     1       2.909  -1.414   1.074  1.00  0.00           H  
HETATM   62  H   UNL     1       5.957  -1.360   1.569  1.00  0.00           H  
HETATM   63  H   UNL     1       6.651  -2.665   0.583  1.00  0.00           H  
HETATM   64  H   UNL     1       7.334  -0.468  -0.323  1.00  0.00           H  
HETATM   65  H   UNL     1       6.216  -1.232  -1.493  1.00  0.00           H  
HETATM   66  H   UNL     1       6.769   1.843  -0.751  1.00  0.00           H  
HETATM   67  H   UNL     1       0.377   1.051   2.678  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.827   2.127   2.627  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.405   2.803  -1.566  1.00  0.00           H  
HETATM   70  H   UNL     1       0.802   1.694  -1.532  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.984   4.205   0.232  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.590   3.047   1.445  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.276  -4.600   1.376  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.329  -3.026   2.204  1.00  0.00           H  
HETATM   75  H   UNL     1      -6.274  -3.282   0.718  1.00  0.00           H  
HETATM   76  H   UNL     1       6.786   5.256  -0.864  1.00  0.00           H  
HETATM   77  H   UNL     1       7.274   3.762  -0.030  1.00  0.00           H  
HETATM   78  H   UNL     1       6.790   3.708  -1.742  1.00  0.00           H  
HETATM   79  H   UNL     1      -7.050   2.821  -1.801  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.534   2.543  -2.691  1.00  0.00           H  
HETATM   81  H   UNL     1      -6.137   1.314  -1.554  1.00  0.00           H  
HETATM   82  H   UNL     1       3.299  -3.670   1.388  1.00  0.00           H  
HETATM   83  H   UNL     1       5.032  -3.919   1.708  1.00  0.00           H  
HETATM   84  H   UNL     1       4.191  -2.513   2.405  1.00  0.00           H  
HETATM   85  H   UNL     1       5.035  -2.789  -1.678  1.00  0.00           H  
HETATM   86  H   UNL     1       5.455  -4.080  -0.527  1.00  0.00           H  
HETATM   87  H   UNL     1       3.752  -3.793  -0.960  1.00  0.00           H  
HETATM   88  H   UNL     1       1.919   4.689   1.813  1.00  0.00           H  
HETATM   89  H   UNL     1       2.575   3.164   2.457  1.00  0.00           H  
HETATM   90  H   UNL     1       3.679   4.434   1.877  1.00  0.00           H  
HETATM   91  H   UNL     1      -4.677   4.969  -0.155  1.00  0.00           H  
HETATM   92  H   UNL     1      -4.716   4.617  -1.899  1.00  0.00           H  
HETATM   93  H   UNL     1      -6.236   4.871  -1.008  1.00  0.00           H  
HETATM   94  H   UNL     1      -1.298  -6.535  -0.437  1.00  0.00           H  
HETATM   95  H   UNL     1      -1.407  -5.968   1.247  1.00  0.00           H  
HETATM   96  H   UNL     1      -2.881  -6.445   0.371  1.00  0.00           H  
CONECT    1    2    6   43   47                                       
CONECT    2    1    3   49   50                                       
CONECT    3    2    4   51   52                                       
CONECT    4    3    5    5    7                                       
CONECT    5    4    4    6   10                                       
CONECT    6    1    5   36   53                                       
CONECT    7    4    8    8   54                                       
CONECT    8    7    7    9   37                                       
CONECT    9    8   10   10   11                                       
CONECT   10    5    9    9   55                                       
CONECT   11    9   12                                                 
CONECT   12   11   13   13   17                                       
CONECT   13   12   12   14   39                                       
CONECT   14   13   15   15   56                                       
CONECT   15   14   14   16   57                                       
CONECT   16   15   17   17   18                                       
CONECT   17   12   16   16   58                                       
CONECT   18   16   19   59   60                                       
CONECT   19   18   20   24   61                                       
CONECT   20   19   21   44   45                                       
CONECT   21   20   22   62   63                                       
CONECT   22   21   23   64   65                                       
CONECT   23   22   24   24   25                                       
CONECT   24   19   23   23   28                                       
CONECT   25   23   26   26   66                                       
CONECT   26   25   25   27   40                                       
CONECT   27   26   28   28   42                                       
CONECT   28   24   27   27   29                                       
CONECT   29   28   30                                                 
CONECT   30   29   31   31   35                                       
CONECT   31   30   30   32   67                                       
CONECT   32   31   33   33   68                                       
CONECT   33   32   32   34   36                                       
CONECT   34   33   35   35   69                                       
CONECT   35   30   34   34   70                                       
CONECT   36    6   33   71   72                                       
CONECT   37    8   38                                                 
CONECT   38   37   73   74   75                                       
CONECT   39   13   48                                                 
CONECT   40   26   41                                                 
CONECT   41   40   76   77   78                                       
CONECT   42   27   46                                                 
CONECT   43    1   79   80   81                                       
CONECT   44   20   82   83   84                                       
CONECT   45   20   85   86   87                                       
CONECT   46   42   88   89   90                                       
CONECT   47    1   91   92   93                                       
CONECT   48   39   94   95   96                                       
CONECT   49    2                                                      
CONECT   50    2                                                      
CONECT   51    3                                                      
CONECT   52    3                                                      
CONECT   53    6                                                      
CONECT   54    7                                                      
CONECT   55   10                                                      
CONECT   56   14                                                      
CONECT   57   15                                                      
CONECT   58   17                                                      
CONECT   59   18                                                      
CONECT   60   18                                                      
CONECT   61   19                                                      
CONECT   62   21                                                      
CONECT   63   21                                                      
CONECT   64   22                                                      
CONECT   65   22                                                      
CONECT   66   25                                                      
CONECT   67   31                                                      
CONECT   68   32                                                      
CONECT   69   34                                                      
CONECT   70   35                                                      
CONECT   71   36                                                      
CONECT   72   36                                                      
CONECT   73   38                                                      
CONECT   74   38                                                      
CONECT   75   38                                                      
CONECT   76   41                                                      
CONECT   77   41                                                      
CONECT   78   41                                                      
CONECT   79   43                                                      
CONECT   80   43                                                      
CONECT   81   43                                                      
CONECT   82   44                                                      
CONECT   83   44                                                      
CONECT   84   44                                                      
CONECT   85   45                                                      
CONECT   86   45                                                      
CONECT   87   45                                                      
CONECT   88   46                                                      
CONECT   89   46                                                      
CONECT   90   46                                                      
CONECT   91   47                                                      
CONECT   92   47                                                      
CONECT   93   47                                                      
CONECT   94   48                                                      
CONECT   95   48                                                      
CONECT   96   48                                                      
MASTER        0    0    0    0    0    0    0    0   96    0   96    0
END
