COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1       7.431   0.917  -1.068  1.00  0.00           C  
HETATM    2  C   UNL     1       8.810   1.048  -1.720  1.00  0.00           C  
HETATM    3  N   UNL     1       9.839   0.581  -0.780  1.00  0.00           N  
HETATM    4  C   UNL     1      11.185   0.761  -1.341  1.00  0.00           C  
HETATM    5  C   UNL     1       9.608  -0.821  -0.404  1.00  0.00           C  
HETATM    6  C   UNL     1       8.230  -0.951   0.247  1.00  0.00           C  
HETATM    7  N   UNL     1       7.201  -0.484  -0.692  1.00  0.00           N  
HETATM    8  C   UNL     1       5.921  -0.655  -0.159  1.00  0.00           C  
HETATM    9  C   UNL     1       5.064   0.431  -0.047  1.00  0.00           C  
HETATM   10  C   UNL     1       5.503  -1.914   0.255  1.00  0.00           C  
HETATM   11  C   UNL     1       4.235  -2.085   0.777  1.00  0.00           C  
HETATM   12  C   UNL     1       3.784  -3.452   1.224  1.00  0.00           C  
HETATM   13  C   UNL     1       3.433  -3.411   2.713  1.00  0.00           C  
HETATM   14  C   UNL     1       2.551  -3.870   0.421  1.00  0.00           C  
HETATM   15  C   UNL     1       3.380  -1.006   0.891  1.00  0.00           C  
HETATM   16  C   UNL     1       3.792   0.255   0.479  1.00  0.00           C  
HETATM   17  N   UNL     1       2.926   1.347   0.593  1.00  0.00           N  
HETATM   18  C   UNL     1       1.602   1.180   0.401  1.00  0.00           C  
HETATM   19  O   UNL     1       1.151   0.067   0.216  1.00  0.00           O  
HETATM   20  C   UNL     1       0.700   2.352   0.414  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.677   2.173   0.304  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.252   0.786   0.172  1.00  0.00           C  
HETATM   23  C   UNL     1       1.227   3.639   0.542  1.00  0.00           C  
HETATM   24  C   UNL     1       0.387   4.735   0.554  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.979   4.568   0.441  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.521   3.284   0.317  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.938   3.111   0.204  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.100   2.969   0.112  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.517   2.796  -0.001  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.477   3.795  -0.003  1.00  0.00           C  
HETATM   31  N   UNL     1      -7.669   3.226  -0.126  1.00  0.00           N  
HETATM   32  C   UNL     1      -7.529   1.909  -0.203  1.00  0.00           C  
HETATM   33  C   UNL     1      -8.457   0.857  -0.338  1.00  0.00           C  
HETATM   34  N   UNL     1      -8.036  -0.384  -0.390  1.00  0.00           N  
HETATM   35  N   UNL     1      -6.191   1.608  -0.133  1.00  0.00           N  
HETATM   36  C   UNL     1      -5.794   0.305  -0.198  1.00  0.00           C  
HETATM   37  C   UNL     1      -6.729  -0.680  -0.317  1.00  0.00           C  
HETATM   38  C   UNL     1      -6.295  -2.097  -0.379  1.00  0.00           C  
HETATM   39  C   UNL     1      -7.242  -3.111  -0.514  1.00  0.00           C  
HETATM   40  C   UNL     1      -6.837  -4.427  -0.572  1.00  0.00           C  
HETATM   41  C   UNL     1      -5.485  -4.744  -0.497  1.00  0.00           C  
HETATM   42  N   UNL     1      -5.077  -6.077  -0.557  1.00  0.00           N  
HETATM   43  C   UNL     1      -4.540  -3.734  -0.363  1.00  0.00           C  
HETATM   44  C   UNL     1      -4.940  -2.416  -0.309  1.00  0.00           C  
HETATM   45  H   UNL     1       7.389   1.544  -0.178  1.00  0.00           H  
HETATM   46  H   UNL     1       6.664   1.235  -1.774  1.00  0.00           H  
HETATM   47  H   UNL     1       8.843   0.442  -2.625  1.00  0.00           H  
HETATM   48  H   UNL     1       8.995   2.091  -1.973  1.00  0.00           H  
HETATM   49  H   UNL     1      11.354   1.817  -1.548  1.00  0.00           H  
HETATM   50  H   UNL     1      11.927   0.408  -0.626  1.00  0.00           H  
HETATM   51  H   UNL     1      11.272   0.191  -2.266  1.00  0.00           H  
HETATM   52  H   UNL     1       9.650  -1.448  -1.295  1.00  0.00           H  
HETATM   53  H   UNL     1      10.376  -1.139   0.302  1.00  0.00           H  
HETATM   54  H   UNL     1       8.044  -1.995   0.501  1.00  0.00           H  
HETATM   55  H   UNL     1       8.197  -0.345   1.153  1.00  0.00           H  
HETATM   56  H   UNL     1       5.387   1.410  -0.367  1.00  0.00           H  
HETATM   57  H   UNL     1       6.169  -2.760   0.168  1.00  0.00           H  
HETATM   58  H   UNL     1       4.586  -4.171   1.060  1.00  0.00           H  
HETATM   59  H   UNL     1       2.631  -2.692   2.878  1.00  0.00           H  
HETATM   60  H   UNL     1       3.107  -4.400   3.036  1.00  0.00           H  
HETATM   61  H   UNL     1       4.312  -3.113   3.285  1.00  0.00           H  
HETATM   62  H   UNL     1       1.749  -3.151   0.586  1.00  0.00           H  
HETATM   63  H   UNL     1       2.801  -3.899  -0.640  1.00  0.00           H  
HETATM   64  H   UNL     1       2.225  -4.859   0.744  1.00  0.00           H  
HETATM   65  H   UNL     1       2.389  -1.143   1.299  1.00  0.00           H  
HETATM   66  H   UNL     1       3.277   2.224   0.812  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.342   0.335   1.160  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.237   0.844  -0.292  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.594   0.177  -0.448  1.00  0.00           H  
HETATM   70  H   UNL     1       2.294   3.778   0.632  1.00  0.00           H  
HETATM   71  H   UNL     1       0.800   5.728   0.654  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.630   5.430   0.452  1.00  0.00           H  
HETATM   73  H   UNL     1      -6.287   4.855   0.081  1.00  0.00           H  
HETATM   74  H   UNL     1      -9.513   1.072  -0.399  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.745   0.054  -0.142  1.00  0.00           H  
HETATM   76  H   UNL     1      -8.292  -2.866  -0.572  1.00  0.00           H  
HETATM   77  H   UNL     1      -7.570  -5.214  -0.676  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.736  -6.782  -0.651  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.134  -6.299  -0.505  1.00  0.00           H  
HETATM   80  H   UNL     1      -3.490  -3.982  -0.304  1.00  0.00           H  
HETATM   81  H   UNL     1      -4.205  -1.631  -0.209  1.00  0.00           H  
CONECT    1    2    7   45   46                                       
CONECT    2    1    3   47   48                                       
CONECT    3    2    4    5                                            
CONECT    4    3   49   50   51                                       
CONECT    5    3    6   52   53                                       
CONECT    6    5    7   54   55                                       
CONECT    7    1    6    8                                            
CONECT    8    9   10   10    7                                       
CONECT    9    8   16   16   56                                       
CONECT   10    8    8   11   57                                       
CONECT   11   10   12   15   15                                       
CONECT   12   11   13   14   58                                       
CONECT   13   12   59   60   61                                       
CONECT   14   12   62   63   64                                       
CONECT   15   11   11   16   65                                       
CONECT   16    9    9   15   17                                       
CONECT   17   16   18   66                                            
CONECT   18   17   19   19   20                                       
CONECT   19   18   18                                                 
CONECT   20   18   21   21   23                                       
CONECT   21   20   20   22   26                                       
CONECT   22   21   67   68   69                                       
CONECT   23   20   24   24   70                                       
CONECT   24   23   23   25   71                                       
CONECT   25   24   26   26   72                                       
CONECT   26   21   25   25   27                                       
CONECT   27   26   28   28   28                                       
CONECT   28   27   27   27   29                                       
CONECT   29   28   30   30   35                                       
CONECT   30   29   29   31   73                                       
CONECT   31   30   32   32                                            
CONECT   32   31   31   33   35                                       
CONECT   33   32   34   34   74                                       
CONECT   34   33   33   37                                            
CONECT   35   29   32   36                                            
CONECT   36   35   37   37   75                                       
CONECT   37   34   36   36   38                                       
CONECT   38   37   39   39   44                                       
CONECT   39   38   38   40   76                                       
CONECT   40   39   41   41   77                                       
CONECT   41   40   40   42   43                                       
CONECT   42   41   78   79                                            
CONECT   43   41   44   44   80                                       
CONECT   44   38   43   43   81                                       
CONECT   45    1                                                      
CONECT   46    1                                                      
CONECT   47    2                                                      
CONECT   48    2                                                      
CONECT   49    4                                                      
CONECT   50    4                                                      
CONECT   51    4                                                      
CONECT   52    5                                                      
CONECT   53    5                                                      
CONECT   54    6                                                      
CONECT   55    6                                                      
CONECT   56    9                                                      
CONECT   57   10                                                      
CONECT   58   12                                                      
CONECT   59   13                                                      
CONECT   60   13                                                      
CONECT   61   13                                                      
CONECT   62   14                                                      
CONECT   63   14                                                      
CONECT   64   14                                                      
CONECT   65   15                                                      
CONECT   66   17                                                      
CONECT   67   22                                                      
CONECT   68   22                                                      
CONECT   69   22                                                      
CONECT   70   23                                                      
CONECT   71   24                                                      
CONECT   72   25                                                      
CONECT   73   30                                                      
CONECT   74   33                                                      
CONECT   75   36                                                      
CONECT   76   39                                                      
CONECT   77   40                                                      
CONECT   78   42                                                      
CONECT   79   42                                                      
CONECT   80   43                                                      
CONECT   81   44                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
