COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      15.173   6.028   1.127  1.00  0.00           C  
HETATM    2  C   UNL     1      14.310   5.934   2.224  1.00  0.00           C  
HETATM    3  C   UNL     1      13.243   5.093   2.203  1.00  0.00           C  
HETATM    4  C   UNL     1      12.996   4.302   1.065  1.00  0.00           C  
HETATM    5  C   UNL     1      11.899   3.431   1.015  1.00  0.00           C  
HETATM    6  C   UNL     1      11.682   2.672  -0.124  1.00  0.00           C  
HETATM    7  C   UNL     1      10.528   1.752  -0.182  1.00  0.00           C  
HETATM    8  C   UNL     1       9.280   0.075  -1.308  1.00  0.00           C  
HETATM    9  C   UNL     1       8.092   0.336  -0.632  1.00  0.00           C  
HETATM   10  C   UNL     1       7.072  -0.588  -0.649  1.00  0.00           C  
HETATM   11  C   UNL     1       7.230  -1.789  -1.347  1.00  0.00           C  
HETATM   12  C   UNL     1       6.136  -2.779  -1.372  1.00  0.00           C  
HETATM   13  C   UNL     1       3.898  -3.510  -0.744  1.00  0.00           C  
HETATM   14  N   UNL     1      10.312   1.012  -1.287  1.00  0.00           N  
HETATM   15  C   UNL     1       5.377  -5.333   0.055  1.00  0.00           C  
HETATM   16  C   UNL     1       6.444  -5.497   0.872  1.00  0.00           C  
HETATM   17  C   UNL     1       2.583  -2.812  -0.511  1.00  0.00           C  
HETATM   18  N   UNL     1       4.984  -2.528  -0.718  1.00  0.00           N  
HETATM   19  C   UNL     1       0.211  -2.863  -0.399  1.00  0.00           C  
HETATM   20  C   UNL     1       0.077  -1.554  -0.856  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.159  -0.942  -0.749  1.00  0.00           C  
HETATM   22  O   UNL     1     -15.760   4.204  -1.307  1.00  0.00           O  
HETATM   23  C   UNL     1      -3.547  -1.008  -0.070  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.267  -0.314  -0.577  1.00  0.00           C  
HETATM   25  C   UNL     1      -7.525   0.241  -0.577  1.00  0.00           C  
HETATM   26  C   UNL     1      -8.399  -0.005   0.487  1.00  0.00           C  
HETATM   27  C   UNL     1      -9.747   0.589   0.488  1.00  0.00           C  
HETATM   28  C   UNL     1     -11.858   2.490   0.734  1.00  0.00           C  
HETATM   29  C   UNL     1     -13.059   3.136   0.797  1.00  0.00           C  
HETATM   30  C   UNL     1     -13.813   3.335  -0.366  1.00  0.00           C  
HETATM   31  O   UNL     1      16.232   6.878   1.177  1.00  0.00           O  
HETATM   32  C   UNL     1       4.125  -4.550   0.355  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.221  -1.651  -0.190  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.856  -1.122   0.480  1.00  0.00           C  
HETATM   35  C   UNL     1     -11.372   2.024  -0.485  1.00  0.00           C  
HETATM   36  C   UNL     1     -15.107   4.032  -0.296  1.00  0.00           C  
HETATM   37  C   UNL     1     -13.330   2.869  -1.598  1.00  0.00           C  
HETATM   38  C   UNL     1     -12.110   2.208  -1.651  1.00  0.00           C  
HETATM   39  C   UNL     1     -11.988   0.420  -3.214  1.00  0.00           C  
HETATM   40  C   UNL     1      -7.989  -0.818   1.553  1.00  0.00           C  
HETATM   41  C   UNL     1      -6.715  -1.370   1.547  1.00  0.00           C  
HETATM   42  C   UNL     1      -5.660  -1.514   3.674  1.00  0.00           C  
HETATM   43  C   UNL     1      -5.281  -2.556   4.728  1.00  0.00           C  
HETATM   44  C   UNL     1      -0.896  -3.509   0.149  1.00  0.00           C  
HETATM   45  C   UNL     1       8.424  -2.047  -2.024  1.00  0.00           C  
HETATM   46  C   UNL     1       9.443  -1.122  -1.998  1.00  0.00           C  
HETATM   47  C   UNL     1      12.552   2.771  -1.224  1.00  0.00           C  
HETATM   48  C   UNL     1      13.619   3.608  -1.194  1.00  0.00           C  
HETATM   49  C   UNL     1      13.866   4.393  -0.052  1.00  0.00           C  
HETATM   50  C   UNL     1      14.964   5.266   0.000  1.00  0.00           C  
HETATM   51  N   UNL     1       7.327  -6.263   0.189  1.00  0.00           N  
HETATM   52  N   UNL     1       6.818  -6.537  -0.961  1.00  0.00           N  
HETATM   53  N   UNL     1       5.656  -5.997  -1.072  1.00  0.00           N  
HETATM   54  N   UNL     1       1.437  -3.521  -0.492  1.00  0.00           N  
HETATM   55  N   UNL     1      -4.580  -1.686   0.469  1.00  0.00           N  
HETATM   56  N   UNL     1     -10.140   1.370  -0.538  1.00  0.00           N  
HETATM   57  N   UNL     1      -4.280  -3.475   4.170  1.00  0.00           N  
HETATM   58  N   UNL     1      -2.056  -2.899   0.235  1.00  0.00           N  
HETATM   59  O   UNL     1       6.273  -3.821  -1.984  1.00  0.00           O  
HETATM   60  O   UNL     1       9.773   1.663   0.766  1.00  0.00           O  
HETATM   61  O   UNL     1     -15.568   4.480   0.888  1.00  0.00           O  
HETATM   62  O   UNL     1     -14.054   3.057  -2.731  1.00  0.00           O  
HETATM   63  O   UNL     1     -11.632   1.752  -2.840  1.00  0.00           O  
HETATM   64  O   UNL     1     -10.506   0.374   1.414  1.00  0.00           O  
HETATM   65  O   UNL     1      -8.831  -1.061   2.589  1.00  0.00           O  
HETATM   66  O   UNL     1      -6.310  -2.160   2.578  1.00  0.00           O  
HETATM   67  O   UNL     1      -3.706   0.134  -0.457  1.00  0.00           O  
HETATM   68  O   UNL     1       2.556  -1.612  -0.340  1.00  0.00           O  
HETATM   69  H   UNL     1      14.494   6.538   3.101  1.00  0.00           H  
HETATM   70  H   UNL     1      12.586   5.030   3.058  1.00  0.00           H  
HETATM   71  H   UNL     1      11.228   3.352   1.858  1.00  0.00           H  
HETATM   72  H   UNL     1       7.970   1.264  -0.093  1.00  0.00           H  
HETATM   73  H   UNL     1       6.150  -0.386  -0.124  1.00  0.00           H  
HETATM   74  H   UNL     1       3.879  -4.006  -1.715  1.00  0.00           H  
HETATM   75  H   UNL     1      10.874   1.131  -2.069  1.00  0.00           H  
HETATM   76  H   UNL     1       6.567  -5.098   1.867  1.00  0.00           H  
HETATM   77  H   UNL     1       4.875  -1.697  -0.230  1.00  0.00           H  
HETATM   78  H   UNL     1       0.918  -1.029  -1.285  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.299   0.072  -1.093  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.596  -0.126  -1.403  1.00  0.00           H  
HETATM   81  H   UNL     1      -7.838   0.867  -1.400  1.00  0.00           H  
HETATM   82  H   UNL     1     -11.280   2.344   1.634  1.00  0.00           H  
HETATM   83  H   UNL     1     -13.429   3.494   1.746  1.00  0.00           H  
HETATM   84  H   UNL     1      17.039   6.479   1.530  1.00  0.00           H  
HETATM   85  H   UNL     1       4.232  -4.047   1.316  1.00  0.00           H  
HETATM   86  H   UNL     1       3.273  -5.229   0.394  1.00  0.00           H  
HETATM   87  H   UNL     1     -11.542   0.183  -4.181  1.00  0.00           H  
HETATM   88  H   UNL     1     -11.619  -0.279  -2.464  1.00  0.00           H  
HETATM   89  H   UNL     1     -13.072   0.339  -3.284  1.00  0.00           H  
HETATM   90  H   UNL     1      -6.335  -0.780   4.115  1.00  0.00           H  
HETATM   91  H   UNL     1      -4.760  -1.013   3.319  1.00  0.00           H  
HETATM   92  H   UNL     1      -4.866  -2.055   5.602  1.00  0.00           H  
HETATM   93  H   UNL     1      -6.168  -3.118   5.019  1.00  0.00           H  
HETATM   94  H   UNL     1      -0.800  -4.525   0.502  1.00  0.00           H  
HETATM   95  H   UNL     1       8.550  -2.975  -2.564  1.00  0.00           H  
HETATM   96  H   UNL     1      10.366  -1.321  -2.523  1.00  0.00           H  
HETATM   97  H   UNL     1      12.368   2.172  -2.105  1.00  0.00           H  
HETATM   98  H   UNL     1      14.279   3.673  -2.047  1.00  0.00           H  
HETATM   99  H   UNL     1      15.636   5.345  -0.842  1.00  0.00           H  
HETATM  100  H   UNL     1       8.194  -6.554   0.511  1.00  0.00           H  
HETATM  101  H   UNL     1       1.465  -4.489  -0.544  1.00  0.00           H  
HETATM  102  H   UNL     1      -4.435  -2.566   0.850  1.00  0.00           H  
HETATM  103  H   UNL     1      -9.567   1.477  -1.313  1.00  0.00           H  
HETATM  104  H   UNL     1      -3.474  -2.971   3.834  1.00  0.00           H  
HETATM  105  H   UNL     1      -4.013  -4.174   4.848  1.00  0.00           H  
HETATM  106  H   UNL     1     -16.423   4.932   0.884  1.00  0.00           H  
HETATM  107  H   UNL     1     -13.856   3.884  -3.191  1.00  0.00           H  
HETATM  108  H   UNL     1      -9.389  -1.841   2.468  1.00  0.00           H  
CONECT    1   50   50    2   31                                       
CONECT    2    3    3    1   69                                       
CONECT    3    4    2    2   70                                       
CONECT    4    5    5   49    3                                       
CONECT    5    6    4    4   71                                       
CONECT    6    7   47   47    5                                       
CONECT    7   14   60   60    6                                       
CONECT    8   46   46    9   14                                       
CONECT    9   10   10    8   72                                       
CONECT   10   11    9    9   73                                       
CONECT   11   12   45   45   10                                       
CONECT   12   18   59   59   11                                       
CONECT   13   17   32   18   74                                       
CONECT   14    8    7   75                                            
CONECT   15   32   16   16   53                                       
CONECT   16   15   15   51   76                                       
CONECT   17   68   68   54   13                                       
CONECT   18   13   12   77                                            
CONECT   19   20   20   44   54                                       
CONECT   20   21   19   19   78                                       
CONECT   21   33   33   20   79                                       
CONECT   22   36   36                                                 
CONECT   23   67   67   55   33                                       
CONECT   24   25   25   34   80                                       
CONECT   25   24   24   26   81                                       
CONECT   26   25   27   40   40                                       
CONECT   27   64   64   26   56                                       
CONECT   28   29   29   35   82                                       
CONECT   29   28   28   30   83                                       
CONECT   30   29   36   37   37                                       
CONECT   31    1   84                                                 
CONECT   32   13   15   85   86                                       
CONECT   33   23   21   21   58                                       
CONECT   34   24   55   41   41                                       
CONECT   35   28   56   38   38                                       
CONECT   36   22   22   30   61                                       
CONECT   37   30   30   38   62                                       
CONECT   38   35   35   37   63                                       
CONECT   39   63   87   88   89                                       
CONECT   40   26   26   41   65                                       
CONECT   41   34   34   40   66                                       
CONECT   42   66   43   90   91                                       
CONECT   43   42   57   92   93                                       
CONECT   44   58   58   19   94                                       
CONECT   45   11   11   46   95                                       
CONECT   46   45    8    8   96                                       
CONECT   47    6    6   48   97                                       
CONECT   48   47   49   49   98                                       
CONECT   49   48   48    4   50                                       
CONECT   50   49    1    1   99                                       
CONECT   51   16   52  100                                            
CONECT   52   53   53   51                                            
CONECT   53   15   52   52                                            
CONECT   54   19   17  101                                            
CONECT   55   23   34  102                                            
CONECT   56   27   35  103                                            
CONECT   57   43  104  105                                            
CONECT   58   33   44   44                                            
CONECT   59   12   12                                                 
CONECT   60    7    7                                                 
CONECT   61   36  106                                                 
CONECT   62   37  107                                                 
CONECT   63   38   39                                                 
CONECT   64   27   27                                                 
CONECT   65   40  108                                                 
CONECT   66   41   42                                                 
CONECT   67   23   23                                                 
CONECT   68   17   17                                                 
CONECT   69    2                                                      
CONECT   70    3                                                      
CONECT   71    5                                                      
CONECT   72    9                                                      
CONECT   73   10                                                      
CONECT   74   13                                                      
CONECT   75   14                                                      
CONECT   76   16                                                      
CONECT   77   18                                                      
CONECT   78   20                                                      
CONECT   79   21                                                      
CONECT   80   24                                                      
CONECT   81   25                                                      
CONECT   82   28                                                      
CONECT   83   29                                                      
CONECT   84   31                                                      
CONECT   85   32                                                      
CONECT   86   32                                                      
CONECT   87   39                                                      
CONECT   88   39                                                      
CONECT   89   39                                                      
CONECT   90   42                                                      
CONECT   91   42                                                      
CONECT   92   43                                                      
CONECT   93   43                                                      
CONECT   94   44                                                      
CONECT   95   45                                                      
CONECT   96   46                                                      
CONECT   97   47                                                      
CONECT   98   48                                                      
CONECT   99   50                                                      
CONECT  100   51                                                      
CONECT  101   54                                                      
CONECT  102   55                                                      
CONECT  103   56                                                      
CONECT  104   57                                                      
CONECT  105   57                                                      
CONECT  106   61                                                      
CONECT  107   62                                                      
CONECT  108   65                                                      
MASTER        0    0    0    0    0    0    0    0  108    0  108    0
END
