COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.265   1.749  -0.808  1.00  0.00           C  
HETATM    2  C   UNL     1       5.137   0.722  -0.918  1.00  0.00           C  
HETATM    3  C   UNL     1       5.182   0.059  -2.297  1.00  0.00           C  
HETATM    4  C   UNL     1       5.310  -0.344   0.166  1.00  0.00           C  
HETATM    5  C   UNL     1       4.116  -1.301   0.136  1.00  0.00           C  
HETATM    6  C   UNL     1       5.544  -3.258   0.746  1.00  0.00           C  
HETATM    7  C   UNL     1       0.440  -0.259   0.380  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.841  -0.256  -0.477  1.00  0.00           C  
HETATM    9  C   UNL     1       6.219   2.411   0.571  1.00  0.00           C  
HETATM   10  C   UNL     1       7.348   3.438   0.681  1.00  0.00           C  
HETATM   11  C   UNL     1       7.174   4.504  -0.403  1.00  0.00           C  
HETATM   12  C   UNL     1       7.220   3.842  -1.782  1.00  0.00           C  
HETATM   13  C   UNL     1       6.092   2.815  -1.892  1.00  0.00           C  
HETATM   14  C   UNL     1       6.138   2.153  -3.270  1.00  0.00           C  
HETATM   15  C   UNL     1       5.009   1.125  -3.380  1.00  0.00           C  
HETATM   16  C   UNL     1       4.332  -2.419   1.158  1.00  0.00           C  
HETATM   17  O   UNL     1       3.171  -3.250   1.207  1.00  0.00           O  
HETATM   18  C   UNL     1       5.241  -3.980  -0.569  1.00  0.00           C  
HETATM   19  C   UNL     1       5.845  -4.288   1.836  1.00  0.00           C  
HETATM   20  O   UNL     1       7.029  -5.011   1.494  1.00  0.00           O  
HETATM   21  N   UNL     1       2.893  -0.565   0.469  1.00  0.00           N  
HETATM   22  C   UNL     1       1.698  -1.015   0.038  1.00  0.00           C  
HETATM   23  O   UNL     1       1.635  -2.028  -0.626  1.00  0.00           O  
HETATM   24  C   UNL     1       0.283  -0.192   1.900  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.906   0.668   2.245  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.744   2.029   2.428  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.832   2.818   2.744  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.089   2.245   2.878  1.00  0.00           C  
HETATM   29  O   UNL     1      -4.161   3.020   3.188  1.00  0.00           O  
HETATM   30  C   UNL     1      -5.424   2.362   3.310  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.248   0.879   2.693  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.158   0.095   2.372  1.00  0.00           C  
HETATM   33  N   UNL     1      -0.716  -0.946  -0.201  1.00  0.00           N  
HETATM   34  O   UNL     1      -1.896   0.933  -0.245  1.00  0.00           O  
HETATM   35  C   UNL     1      -3.030  -0.963  -1.074  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.635  -1.580  -2.418  1.00  0.00           C  
HETATM   37  N   UNL     1      -4.117  -0.002  -1.278  1.00  0.00           N  
HETATM   38  C   UNL     1      -5.396  -0.428  -1.312  1.00  0.00           C  
HETATM   39  O   UNL     1      -5.646  -1.607  -1.173  1.00  0.00           O  
HETATM   40  C   UNL     1      -6.514   0.560  -1.522  1.00  0.00           C  
HETATM   41  N   UNL     1      -7.800  -0.149  -1.519  1.00  0.00           N  
HETATM   42  C   UNL     1      -8.891   0.736  -1.954  1.00  0.00           C  
HETATM   43  C   UNL     1     -10.200  -0.056  -1.993  1.00  0.00           C  
HETATM   44  O   UNL     1     -10.446  -0.625  -0.704  1.00  0.00           O  
HETATM   45  C   UNL     1      -9.404  -1.493  -0.250  1.00  0.00           C  
HETATM   46  C   UNL     1      -8.087  -0.715  -0.193  1.00  0.00           C  
HETATM   47  H   UNL     1       7.225   1.250  -0.940  1.00  0.00           H  
HETATM   48  H   UNL     1       4.177   1.221  -0.786  1.00  0.00           H  
HETATM   49  H   UNL     1       6.142  -0.440  -2.428  1.00  0.00           H  
HETATM   50  H   UNL     1       4.378  -0.672  -2.375  1.00  0.00           H  
HETATM   51  H   UNL     1       6.227  -0.903  -0.018  1.00  0.00           H  
HETATM   52  H   UNL     1       5.366   0.136   1.142  1.00  0.00           H  
HETATM   53  H   UNL     1       4.021  -1.732  -0.860  1.00  0.00           H  
HETATM   54  H   UNL     1       6.408  -2.607   0.613  1.00  0.00           H  
HETATM   55  H   UNL     1       0.503   0.752  -0.024  1.00  0.00           H  
HETATM   56  H   UNL     1       5.259   2.910   0.702  1.00  0.00           H  
HETATM   57  H   UNL     1       6.343   1.652   1.343  1.00  0.00           H  
HETATM   58  H   UNL     1       7.315   3.910   1.663  1.00  0.00           H  
HETATM   59  H   UNL     1       8.308   2.939   0.549  1.00  0.00           H  
HETATM   60  H   UNL     1       6.215   5.004  -0.272  1.00  0.00           H  
HETATM   61  H   UNL     1       7.978   5.236  -0.325  1.00  0.00           H  
HETATM   62  H   UNL     1       7.097   4.602  -2.554  1.00  0.00           H  
HETATM   63  H   UNL     1       8.180   3.343  -1.913  1.00  0.00           H  
HETATM   64  H   UNL     1       5.132   3.314  -1.760  1.00  0.00           H  
HETATM   65  H   UNL     1       6.014   2.912  -4.043  1.00  0.00           H  
HETATM   66  H   UNL     1       7.098   1.653  -3.402  1.00  0.00           H  
HETATM   67  H   UNL     1       5.042   0.654  -4.363  1.00  0.00           H  
HETATM   68  H   UNL     1       4.049   1.625  -3.249  1.00  0.00           H  
HETATM   69  H   UNL     1       4.509  -1.983   2.141  1.00  0.00           H  
HETATM   70  H   UNL     1       2.364  -2.784   1.462  1.00  0.00           H  
HETATM   71  H   UNL     1       4.377  -4.630  -0.435  1.00  0.00           H  
HETATM   72  H   UNL     1       5.027  -3.246  -1.345  1.00  0.00           H  
HETATM   73  H   UNL     1       6.104  -4.577  -0.862  1.00  0.00           H  
HETATM   74  H   UNL     1       5.993  -3.778   2.788  1.00  0.00           H  
HETATM   75  H   UNL     1       5.008  -4.981   1.922  1.00  0.00           H  
HETATM   76  H   UNL     1       7.280  -5.684   2.143  1.00  0.00           H  
HETATM   77  H   UNL     1       2.944   0.245   1.000  1.00  0.00           H  
HETATM   78  H   UNL     1       0.132  -1.197   2.294  1.00  0.00           H  
HETATM   79  H   UNL     1       1.183   0.239   2.340  1.00  0.00           H  
HETATM   80  H   UNL     1       0.234   2.474   2.324  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.705   3.881   2.888  1.00  0.00           H  
HETATM   82  H   UNL     1      -5.367   1.611   4.097  1.00  0.00           H  
HETATM   83  H   UNL     1      -6.192   3.094   3.560  1.00  0.00           H  
HETATM   84  H   UNL     1      -5.674   1.880   2.365  1.00  0.00           H  
HETATM   85  H   UNL     1      -4.225   0.431   2.797  1.00  0.00           H  
HETATM   86  H   UNL     1      -2.282  -0.968   2.225  1.00  0.00           H  
HETATM   87  H   UNL     1      -0.672  -1.897  -0.387  1.00  0.00           H  
HETATM   88  H   UNL     1      -3.363  -1.750  -0.397  1.00  0.00           H  
HETATM   89  H   UNL     1      -2.303  -0.793  -3.095  1.00  0.00           H  
HETATM   90  H   UNL     1      -1.827  -2.294  -2.266  1.00  0.00           H  
HETATM   91  H   UNL     1      -3.496  -2.091  -2.850  1.00  0.00           H  
HETATM   92  H   UNL     1      -3.917   0.940  -1.389  1.00  0.00           H  
HETATM   93  H   UNL     1      -6.503   1.297  -0.719  1.00  0.00           H  
HETATM   94  H   UNL     1      -6.379   1.063  -2.479  1.00  0.00           H  
HETATM   95  H   UNL     1      -8.988   1.566  -1.253  1.00  0.00           H  
HETATM   96  H   UNL     1      -8.670   1.124  -2.949  1.00  0.00           H  
HETATM   97  H   UNL     1     -11.020   0.609  -2.260  1.00  0.00           H  
HETATM   98  H   UNL     1     -10.121  -0.852  -2.734  1.00  0.00           H  
HETATM   99  H   UNL     1      -9.650  -1.866   0.745  1.00  0.00           H  
HETATM  100  H   UNL     1      -9.303  -2.332  -0.938  1.00  0.00           H  
HETATM  101  H   UNL     1      -7.280  -1.386   0.099  1.00  0.00           H  
HETATM  102  H   UNL     1      -8.172   0.091   0.536  1.00  0.00           H  
CONECT    1   13    2    9   47                                       
CONECT    2    3    1    4   48                                       
CONECT    3   15    2   49   50                                       
CONECT    4    2    5   51   52                                       
CONECT    5   21    4   16   53                                       
CONECT    6   19   18   16   54                                       
CONECT    7   33   24   22   55                                       
CONECT    8   35   34   34   33                                       
CONECT    9    1   10   56   57                                       
CONECT   10   11    9   58   59                                       
CONECT   11   12   10   60   61                                       
CONECT   12   13   11   62   63                                       
CONECT   13   14   12    1   64                                       
CONECT   14   15   13   65   66                                       
CONECT   15   14    3   67   68                                       
CONECT   16    5    6   17   69                                       
CONECT   17   16   70                                                 
CONECT   18    6   71   72   73                                       
CONECT   19   20    6   74   75                                       
CONECT   20   19   76                                                 
CONECT   21   22    5   77                                            
CONECT   22    7   23   23   21                                       
CONECT   23   22   22                                                 
CONECT   24   25    7   78   79                                       
CONECT   25   26   24   32   32                                       
CONECT   26   27   27   25   80                                       
CONECT   27   26   26   28   81                                       
CONECT   28   27   29   31   31                                       
CONECT   29   28   30                                                 
CONECT   30   29   82   83   84                                       
CONECT   31   28   28   32   85                                       
CONECT   32   25   25   31   86                                       
CONECT   33    8    7   87                                            
CONECT   34    8    8                                                 
CONECT   35   37   36    8   88                                       
CONECT   36   35   89   90   91                                       
CONECT   37   38   35   92                                            
CONECT   38   40   39   39   37                                       
CONECT   39   38   38                                                 
CONECT   40   41   38   93   94                                       
CONECT   41   40   46   42                                            
CONECT   42   41   43   95   96                                       
CONECT   43   42   44   97   98                                       
CONECT   44   45   43                                                 
CONECT   45   46   44   99  100                                       
CONECT   46   41   45  101  102                                       
CONECT   47    1                                                      
CONECT   48    2                                                      
CONECT   49    3                                                      
CONECT   50    3                                                      
CONECT   51    4                                                      
CONECT   52    4                                                      
CONECT   53    5                                                      
CONECT   54    6                                                      
CONECT   55    7                                                      
CONECT   56    9                                                      
CONECT   57    9                                                      
CONECT   58   10                                                      
CONECT   59   10                                                      
CONECT   60   11                                                      
CONECT   61   11                                                      
CONECT   62   12                                                      
CONECT   63   12                                                      
CONECT   64   13                                                      
CONECT   65   14                                                      
CONECT   66   14                                                      
CONECT   67   15                                                      
CONECT   68   15                                                      
CONECT   69   16                                                      
CONECT   70   17                                                      
CONECT   71   18                                                      
CONECT   72   18                                                      
CONECT   73   18                                                      
CONECT   74   19                                                      
CONECT   75   19                                                      
CONECT   76   20                                                      
CONECT   77   21                                                      
CONECT   78   24                                                      
CONECT   79   24                                                      
CONECT   80   26                                                      
CONECT   81   27                                                      
CONECT   82   30                                                      
CONECT   83   30                                                      
CONECT   84   30                                                      
CONECT   85   31                                                      
CONECT   86   32                                                      
CONECT   87   33                                                      
CONECT   88   35                                                      
CONECT   89   36                                                      
CONECT   90   36                                                      
CONECT   91   36                                                      
CONECT   92   37                                                      
CONECT   93   40                                                      
CONECT   94   40                                                      
CONECT   95   42                                                      
CONECT   96   42                                                      
CONECT   97   43                                                      
CONECT   98   43                                                      
CONECT   99   45                                                      
CONECT  100   45                                                      
CONECT  101   46                                                      
CONECT  102   46                                                      
MASTER        0    0    0    0    0    0    0    0  102    0  102    0
END
