COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -6.160   1.789  -1.259  1.00  0.00           O  
HETATM    2  C   UNL     1      -5.625   1.244  -0.316  1.00  0.00           C  
HETATM    3  N   UNL     1      -6.286   0.297   0.378  1.00  0.00           N  
HETATM    4  C   UNL     1      -5.791  -0.447   1.384  1.00  0.00           C  
HETATM    5  O   UNL     1      -4.653  -0.364   1.806  1.00  0.00           O  
HETATM    6  C   UNL     1      -6.763  -1.336   1.885  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.921  -1.193   1.215  1.00  0.00           C  
HETATM    8  O   UNL     1      -9.065  -1.876   1.423  1.00  0.00           O  
HETATM    9  C   UNL     1      -9.054  -2.873   2.478  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.685  -0.112   0.183  1.00  0.00           C  
HETATM   11  C   UNL     1      -7.886  -0.665  -1.230  1.00  0.00           C  
HETATM   12  C   UNL     1      -7.079  -1.956  -1.391  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.512  -2.670  -2.673  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.589  -1.619  -1.472  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.220   1.622   0.075  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.702   2.707  -0.872  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.275   3.092  -0.475  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.802   4.261  -1.340  1.00  0.00           C  
HETATM   19  N   UNL     1      -1.387   1.944  -0.677  1.00  0.00           N  
HETATM   20  C   UNL     1      -0.246   1.842   0.034  1.00  0.00           C  
HETATM   21  O   UNL     1      -0.007   2.640   0.915  1.00  0.00           O  
HETATM   22  C   UNL     1       0.731   0.734  -0.265  1.00  0.00           C  
HETATM   23  C   UNL     1       0.325  -0.526   0.502  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.069  -0.970   0.052  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.023  -1.375  -1.423  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.521  -2.163   0.895  1.00  0.00           C  
HETATM   27  N   UNL     1       2.075   1.145   0.148  1.00  0.00           N  
HETATM   28  C   UNL     1       3.156   0.645  -0.482  1.00  0.00           C  
HETATM   29  O   UNL     1       3.016  -0.066  -1.455  1.00  0.00           O  
HETATM   30  C   UNL     1       4.539   0.968   0.021  1.00  0.00           C  
HETATM   31  C   UNL     1       4.938   2.369  -0.449  1.00  0.00           C  
HETATM   32  C   UNL     1       4.050   3.409   0.236  1.00  0.00           C  
HETATM   33  C   UNL     1       4.345   3.423   1.737  1.00  0.00           C  
HETATM   34  C   UNL     1       4.337   4.792  -0.353  1.00  0.00           C  
HETATM   35  O   UNL     1       5.484  -0.004  -0.499  1.00  0.00           O  
HETATM   36  C   UNL     1       6.520  -0.330   0.290  1.00  0.00           C  
HETATM   37  O   UNL     1       6.585   0.109   1.414  1.00  0.00           O  
HETATM   38  C   UNL     1       7.602  -1.242  -0.226  1.00  0.00           C  
HETATM   39  N   UNL     1       8.693  -1.312   0.755  1.00  0.00           N  
HETATM   40  C   UNL     1       9.292   0.012   0.971  1.00  0.00           C  
HETATM   41  C   UNL     1       8.227  -1.892   2.021  1.00  0.00           C  
HETATM   42  C   UNL     1       7.026  -2.642  -0.448  1.00  0.00           C  
HETATM   43  C   UNL     1       5.890  -2.570  -1.470  1.00  0.00           C  
HETATM   44  C   UNL     1       8.125  -3.569  -0.972  1.00  0.00           C  
HETATM   45  C   UNL     1       7.582  -4.996  -1.075  1.00  0.00           C  
HETATM   46  H   UNL     1      -6.601  -2.035   2.692  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.299  -3.627   2.258  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.822  -2.394   3.429  1.00  0.00           H  
HETATM   49  H   UNL     1     -10.034  -3.347   2.540  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.355   0.730   0.360  1.00  0.00           H  
HETATM   51  H   UNL     1      -8.943  -0.875  -1.391  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.545   0.069  -1.959  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.259  -2.606  -0.535  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.332  -2.020  -3.529  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.937  -3.589  -2.788  1.00  0.00           H  
HETATM   56  H   UNL     1      -8.573  -2.910  -2.615  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.413  -0.951  -2.316  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.276  -1.130  -0.550  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.016  -2.536  -1.610  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.216   2.000   1.097  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.576   0.745   0.009  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.705   2.330  -1.894  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.346   3.585  -0.806  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.256   3.385   0.575  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.821   3.968  -2.389  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.464   5.115  -1.190  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.786   4.535  -1.057  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.619   1.259  -1.323  1.00  0.00           H  
HETATM   69  H   UNL     1       0.728   0.526  -1.335  1.00  0.00           H  
HETATM   70  H   UNL     1       1.042  -1.321   0.300  1.00  0.00           H  
HETATM   71  H   UNL     1       0.310  -0.312   1.571  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.771  -0.146   0.181  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.372  -2.241  -1.542  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.028  -1.627  -1.762  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.637  -0.546  -2.016  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.553  -1.875   1.946  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.514  -2.479   0.574  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.818  -2.986   0.766  1.00  0.00           H  
HETATM   79  H   UNL     1       2.188   1.777   0.876  1.00  0.00           H  
HETATM   80  H   UNL     1       4.547   0.935   1.110  1.00  0.00           H  
HETATM   81  H   UNL     1       5.981   2.555  -0.191  1.00  0.00           H  
HETATM   82  H   UNL     1       4.813   2.438  -1.530  1.00  0.00           H  
HETATM   83  H   UNL     1       3.002   3.155   0.073  1.00  0.00           H  
HETATM   84  H   UNL     1       3.783   4.228   2.210  1.00  0.00           H  
HETATM   85  H   UNL     1       4.050   2.469   2.174  1.00  0.00           H  
HETATM   86  H   UNL     1       5.411   3.581   1.896  1.00  0.00           H  
HETATM   87  H   UNL     1       4.127   4.782  -1.423  1.00  0.00           H  
HETATM   88  H   UNL     1       3.704   5.533   0.135  1.00  0.00           H  
HETATM   89  H   UNL     1       5.385   5.045  -0.191  1.00  0.00           H  
HETATM   90  H   UNL     1       7.986  -0.854  -1.170  1.00  0.00           H  
HETATM   91  H   UNL     1       8.560   0.670   1.441  1.00  0.00           H  
HETATM   92  H   UNL     1      10.163  -0.084   1.620  1.00  0.00           H  
HETATM   93  H   UNL     1       9.597   0.434   0.013  1.00  0.00           H  
HETATM   94  H   UNL     1       7.735  -2.844   1.825  1.00  0.00           H  
HETATM   95  H   UNL     1       9.078  -2.052   2.683  1.00  0.00           H  
HETATM   96  H   UNL     1       7.521  -1.209   2.495  1.00  0.00           H  
HETATM   97  H   UNL     1       6.642  -3.031   0.495  1.00  0.00           H  
HETATM   98  H   UNL     1       6.273  -2.182  -2.413  1.00  0.00           H  
HETATM   99  H   UNL     1       5.479  -3.568  -1.628  1.00  0.00           H  
HETATM  100  H   UNL     1       5.107  -1.910  -1.096  1.00  0.00           H  
HETATM  101  H   UNL     1       8.447  -3.230  -1.957  1.00  0.00           H  
HETATM  102  H   UNL     1       8.972  -3.551  -0.287  1.00  0.00           H  
HETATM  103  H   UNL     1       6.735  -5.014  -1.760  1.00  0.00           H  
HETATM  104  H   UNL     1       8.365  -5.656  -1.449  1.00  0.00           H  
HETATM  105  H   UNL     1       7.261  -5.334  -0.090  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3   15    1    1                                       
CONECT    3    4   10    2                                            
CONECT    4    5    5    6    3                                       
CONECT    5    4    4                                                 
CONECT    6    4    7    7   46                                       
CONECT    7    6    6    8   10                                       
CONECT    8    9    7                                                 
CONECT    9    8   47   48   49                                       
CONECT   10    7    3   11   50                                       
CONECT   11   10   12   51   52                                       
CONECT   12   11   14   13   53                                       
CONECT   13   12   54   55   56                                       
CONECT   14   12   57   58   59                                       
CONECT   15    2   16   60   61                                       
CONECT   16   15   17   62   63                                       
CONECT   17   19   16   18   64                                       
CONECT   18   17   65   66   67                                       
CONECT   19   20   17   68                                            
CONECT   20   22   19   21   21                                       
CONECT   21   20   20                                                 
CONECT   22   23   27   20   69                                       
CONECT   23   24   22   70   71                                       
CONECT   24   25   26   23   72                                       
CONECT   25   24   73   74   75                                       
CONECT   26   24   76   77   78                                       
CONECT   27   22   28   79                                            
CONECT   28   27   29   29   30                                       
CONECT   29   28   28                                                 
CONECT   30   28   35   31   80                                       
CONECT   31   30   32   81   82                                       
CONECT   32   31   33   34   83                                       
CONECT   33   32   84   85   86                                       
CONECT   34   32   87   88   89                                       
CONECT   35   36   30                                                 
CONECT   36   37   37   38   35                                       
CONECT   37   36   36                                                 
CONECT   38   36   39   42   90                                       
CONECT   39   41   38   40                                            
CONECT   40   39   91   92   93                                       
CONECT   41   39   94   95   96                                       
CONECT   42   38   44   43   97                                       
CONECT   43   42   98   99  100                                       
CONECT   44   42   45  101  102                                       
CONECT   45   44  103  104  105                                       
CONECT   46    6                                                      
CONECT   47    9                                                      
CONECT   48    9                                                      
CONECT   49    9                                                      
CONECT   50   10                                                      
CONECT   51   11                                                      
CONECT   52   11                                                      
CONECT   53   12                                                      
CONECT   54   13                                                      
CONECT   55   13                                                      
CONECT   56   13                                                      
CONECT   57   14                                                      
CONECT   58   14                                                      
CONECT   59   14                                                      
CONECT   60   15                                                      
CONECT   61   15                                                      
CONECT   62   16                                                      
CONECT   63   16                                                      
CONECT   64   17                                                      
CONECT   65   18                                                      
CONECT   66   18                                                      
CONECT   67   18                                                      
CONECT   68   19                                                      
CONECT   69   22                                                      
CONECT   70   23                                                      
CONECT   71   23                                                      
CONECT   72   24                                                      
CONECT   73   25                                                      
CONECT   74   25                                                      
CONECT   75   25                                                      
CONECT   76   26                                                      
CONECT   77   26                                                      
CONECT   78   26                                                      
CONECT   79   27                                                      
CONECT   80   30                                                      
CONECT   81   31                                                      
CONECT   82   31                                                      
CONECT   83   32                                                      
CONECT   84   33                                                      
CONECT   85   33                                                      
CONECT   86   33                                                      
CONECT   87   34                                                      
CONECT   88   34                                                      
CONECT   89   34                                                      
CONECT   90   38                                                      
CONECT   91   40                                                      
CONECT   92   40                                                      
CONECT   93   40                                                      
CONECT   94   41                                                      
CONECT   95   41                                                      
CONECT   96   41                                                      
CONECT   97   42                                                      
CONECT   98   43                                                      
CONECT   99   43                                                      
CONECT  100   43                                                      
CONECT  101   44                                                      
CONECT  102   44                                                      
CONECT  103   45                                                      
CONECT  104   45                                                      
CONECT  105   45                                                      
MASTER        0    0    0    0    0    0    0    0  105    0  105    0
END
