COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1      -3.287   0.940   2.158  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.186   2.556  -0.187  1.00  0.00           C  
HETATM    3  O   UNL     1       6.449   4.113   0.748  1.00  0.00           O  
HETATM    4  C   UNL     1       1.720  -1.227   0.226  1.00  0.00           C  
HETATM    5  O   UNL     1       6.452  -2.941   1.094  1.00  0.00           O  
HETATM    6  C   UNL     1      -2.129  -2.764  -0.444  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.479   1.696   1.616  1.00  0.00           C  
HETATM    8  C   UNL     1       0.941   3.251  -0.639  1.00  0.00           C  
HETATM    9  O   UNL     1       5.964   3.438  -1.300  1.00  0.00           O  
HETATM   10  C   UNL     1       2.368  -2.431   0.588  1.00  0.00           C  
HETATM   11  O   UNL     1       6.970  -3.170  -1.042  1.00  0.00           O  
HETATM   12  C   UNL     1      -3.456  -3.225  -0.460  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.885   2.673   0.620  1.00  0.00           C  
HETATM   14  C   UNL     1       2.012   2.405  -0.587  1.00  0.00           C  
HETATM   15  C   UNL     1       1.418  -3.405   0.586  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.223  -2.260  -1.093  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.438   2.414   0.662  1.00  0.00           C  
HETATM   18  C   UNL     1       1.559   1.169  -0.100  1.00  0.00           C  
HETATM   19  C   UNL     1       0.199  -2.787   0.223  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.312  -1.176  -1.471  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.531   3.568  -0.128  1.00  0.00           C  
HETATM   22  C   UNL     1       3.427   2.739  -0.982  1.00  0.00           C  
HETATM   23  C   UNL     1       3.829  -2.603   0.914  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.675  -2.314  -1.339  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.002   3.811   0.091  1.00  0.00           C  
HETATM   26  C   UNL     1       4.181   3.283   0.233  1.00  0.00           C  
HETATM   27  C   UNL     1       4.620  -2.805  -0.381  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.262  -1.368  -2.065  1.00  0.00           C  
HETATM   29  C   UNL     1       5.597   3.617  -0.163  1.00  0.00           C  
HETATM   30  C   UNL     1       6.081  -2.977  -0.055  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.490   3.075  -0.087  1.00  0.00           C  
HETATM   32  C   UNL     1       2.335   0.036   0.104  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.053  -3.437   0.098  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.445   0.739   0.915  1.00  0.00           C  
HETATM   35  C   UNL     1       0.968   4.685  -1.102  1.00  0.00           C  
HETATM   36  C   UNL     1       1.625  -4.862   0.909  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.953  -4.530   0.106  1.00  0.00           C  
HETATM   38  N   UNL     1      -2.178   1.408   1.568  1.00  0.00           N  
HETATM   39  O   UNL     1      -3.327   0.061   2.993  1.00  0.00           O  
HETATM   40  N   UNL     1       0.198   1.280   0.136  1.00  0.00           N  
HETATM   41  N   UNL     1       0.428  -1.491   0.013  1.00  0.00           N1+
HETATM   42  N   UNL     1      -2.074  -1.523  -1.069  1.00  0.00           N  
HETATM   43  O   UNL     1      -3.618  -0.148  -2.049  1.00  0.00           O  
HETATM   44  H   UNL     1       7.346   4.312   0.447  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.987   2.232   2.418  1.00  0.00           H  
HETATM   46  H   UNL     1       7.896  -3.275  -0.784  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.001   4.118  -0.891  1.00  0.00           H  
HETATM   48  H   UNL     1       3.924   1.840  -1.346  1.00  0.00           H  
HETATM   49  H   UNL     1       3.416   3.492  -1.770  1.00  0.00           H  
HETATM   50  H   UNL     1       4.194  -1.713   1.427  1.00  0.00           H  
HETATM   51  H   UNL     1       3.958  -3.472   1.558  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.262  -3.123  -0.931  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.358   4.555  -0.622  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.550   2.880  -0.052  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.163   4.175   1.106  1.00  0.00           H  
HETATM   56  H   UNL     1       3.684   4.182   0.596  1.00  0.00           H  
HETATM   57  H   UNL     1       4.192   2.530   1.020  1.00  0.00           H  
HETATM   58  H   UNL     1       4.255  -3.695  -0.893  1.00  0.00           H  
HETATM   59  H   UNL     1       4.491  -1.936  -1.025  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.664  -0.610  -2.549  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.337  -1.356  -2.170  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.747   3.991  -0.597  1.00  0.00           H  
HETATM   63  H   UNL     1       3.410   0.123   0.169  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.166  -4.459   0.428  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.686  -0.089   1.583  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.359   1.272   0.654  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.979   0.351   0.009  1.00  0.00           H  
HETATM   68  H   UNL     1       1.171   5.338  -0.253  1.00  0.00           H  
HETATM   69  H   UNL     1       1.750   4.810  -1.851  1.00  0.00           H  
HETATM   70  H   UNL     1       0.003   4.945  -1.538  1.00  0.00           H  
HETATM   71  H   UNL     1       1.477  -5.022   1.977  1.00  0.00           H  
HETATM   72  H   UNL     1       0.910  -5.464   0.349  1.00  0.00           H  
HETATM   73  H   UNL     1       2.639  -5.154   0.635  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.243  -4.387   1.147  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.815  -4.870  -0.468  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.161  -5.276   0.049  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.287   1.074   1.758  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.380   0.580   0.476  1.00  0.00           H  
HETATM   79  H   UNL     1      -0.242  -0.839  -0.248  1.00  0.00           H  
HETATM   80  H   UNL     1      -1.273  -0.989  -1.189  1.00  0.00           H  
CONECT    1    7   38   39   39                                       
CONECT    2    8    8   31   40                                       
CONECT    3   29   29                                                 
CONECT    4   10   32   32   41                                       
CONECT    5   30   46                                                 
CONECT    6   33   33   12   42                                       
CONECT    7    1   13   34   45                                       
CONECT    8    2    2   14   35                                       
CONECT    9   29   44                                                 
CONECT   10    4   23   15   15                                       
CONECT   11   30   30                                                 
CONECT   12    6   16   16   37                                       
CONECT   13    7   17   21   21                                       
CONECT   14    8   22   18   18                                       
CONECT   15   10   10   19   36                                       
CONECT   16   12   12   20   24                                       
CONECT   17   13   31   31   38                                       
CONECT   18   14   14   32   40                                       
CONECT   19   15   41   41   33                                       
CONECT   20   16   42   43   43                                       
CONECT   21   13   13   25   47                                       
CONECT   22   14   26   48   49                                       
CONECT   23   10   27   50   51                                       
CONECT   24   16   28   28   52                                       
CONECT   25   21   53   54   55                                       
CONECT   26   22   29   56   57                                       
CONECT   27   23   30   58   59                                       
CONECT   28   24   24   60   61                                       
CONECT   29   26    3    3    9                                       
CONECT   30    5   11   11   27                                       
CONECT   31   17   17    2   62                                       
CONECT   32    4    4   18   63                                       
CONECT   33    6    6   19   64                                       
CONECT   34    7   65   66   67                                       
CONECT   35    8   68   69   70                                       
CONECT   36   15   71   72   73                                       
CONECT   37   12   74   75   76                                       
CONECT   38    1   17   77                                            
CONECT   39    1    1                                                 
CONECT   40    2   18   78                                            
CONECT   41   19   19    4   79                                       
CONECT   42   20    6   80                                            
CONECT   43   20   20                                                 
CONECT   44    9                                                      
CONECT   45    7                                                      
CONECT   46    5                                                      
CONECT   47   21                                                      
CONECT   48   22                                                      
CONECT   49   22                                                      
CONECT   50   23                                                      
CONECT   51   23                                                      
CONECT   52   24                                                      
CONECT   53   25                                                      
CONECT   54   25                                                      
CONECT   55   25                                                      
CONECT   56   26                                                      
CONECT   57   26                                                      
CONECT   58   27                                                      
CONECT   59   27                                                      
CONECT   60   28                                                      
CONECT   61   28                                                      
CONECT   62   31                                                      
CONECT   63   32                                                      
CONECT   64   33                                                      
CONECT   65   34                                                      
CONECT   66   34                                                      
CONECT   67   34                                                      
CONECT   68   35                                                      
CONECT   69   35                                                      
CONECT   70   35                                                      
CONECT   71   36                                                      
CONECT   72   36                                                      
CONECT   73   36                                                      
CONECT   74   37                                                      
CONECT   75   37                                                      
CONECT   76   37                                                      
CONECT   77   38                                                      
CONECT   78   40                                                      
CONECT   79   41                                                      
CONECT   80   42                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
