COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       7.386   0.631   1.158  1.00  0.00           O  
HETATM    2  C   UNL     1       7.174  -0.030   0.007  1.00  0.00           C  
HETATM    3  N   UNL     1       6.046   0.392  -0.515  1.00  0.00           N  
HETATM    4  C   UNL     1       5.523   1.327   0.292  1.00  0.00           C  
HETATM    5  C   UNL     1       6.355   1.481   1.339  1.00  0.00           C  
HETATM    6  C   UNL     1       6.169   2.427   2.497  1.00  0.00           C  
HETATM    7  C   UNL     1       8.061  -1.060  -0.572  1.00  0.00           C  
HETATM    8  C   UNL     1       7.729  -1.671  -1.783  1.00  0.00           C  
HETATM    9  C   UNL     1       8.562  -2.632  -2.318  1.00  0.00           C  
HETATM   10  C   UNL     1       9.724  -2.990  -1.658  1.00  0.00           C  
HETATM   11  C   UNL     1      10.059  -2.388  -0.458  1.00  0.00           C  
HETATM   12  C   UNL     1       9.238  -1.422   0.085  1.00  0.00           C  
HETATM   13  N   UNL     1      -3.899  -0.431   0.426  1.00  0.00           N  
HETATM   14  C   UNL     1      -3.457  -1.216   1.582  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.659  -1.934   2.200  1.00  0.00           C  
HETATM   16  N   UNL     1      -5.341  -2.720   1.170  1.00  0.00           N  
HETATM   17  C   UNL     1      -2.830  -0.285   2.621  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.576   0.329   2.053  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.645   1.525   1.362  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.358  -0.301   2.229  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.497   2.090   0.840  1.00  0.00           C  
HETATM   22  C   UNL     1       0.793   0.260   1.709  1.00  0.00           C  
HETATM   23  C   UNL     1       0.725   1.456   1.010  1.00  0.00           C  
HETATM   24  O   UNL     1       1.856   2.010   0.498  1.00  0.00           O  
HETATM   25  C   UNL     1      -3.699  -0.915  -0.859  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.294  -0.272  -1.957  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.084  -0.771  -3.246  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.297  -1.886  -3.431  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.712  -2.519  -2.346  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.904  -2.036  -1.067  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.512   2.210  -1.386  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.311   3.305  -1.051  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.722   4.505  -0.710  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.344   4.626  -0.701  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.546   3.545  -1.033  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.121   2.337  -1.369  1.00  0.00           C  
HETATM   37  C   UNL     1      -5.135   0.920  -1.752  1.00  0.00           C  
HETATM   38  O   UNL     1      -6.341   0.844  -1.883  1.00  0.00           O  
HETATM   39  C   UNL     1       3.079   1.302   0.711  1.00  0.00           C  
HETATM   40  C   UNL     1       4.233   2.073   0.067  1.00  0.00           C  
HETATM   41  C   UNL     1      -6.409  -3.476   1.495  1.00  0.00           C  
HETATM   42  C   UNL     1      -7.111  -4.284   0.435  1.00  0.00           C  
HETATM   43  O   UNL     1      -6.805  -3.504   2.641  1.00  0.00           O  
HETATM   44  H   UNL     1       7.007   2.326   3.186  1.00  0.00           H  
HETATM   45  H   UNL     1       6.124   3.451   2.125  1.00  0.00           H  
HETATM   46  H   UNL     1       5.240   2.188   3.015  1.00  0.00           H  
HETATM   47  H   UNL     1       6.822  -1.392  -2.299  1.00  0.00           H  
HETATM   48  H   UNL     1       8.306  -3.105  -3.255  1.00  0.00           H  
HETATM   49  H   UNL     1      10.373  -3.743  -2.082  1.00  0.00           H  
HETATM   50  H   UNL     1      10.967  -2.673   0.052  1.00  0.00           H  
HETATM   51  H   UNL     1       9.503  -0.950   1.020  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.332   0.427   0.559  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.720  -1.952   1.261  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.316  -2.596   2.995  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.349  -1.198   2.612  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.025  -2.697   0.253  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.537   0.504   2.876  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.582  -0.854   3.516  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.597   2.017   1.229  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.306  -1.232   2.773  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.552   3.023   0.300  1.00  0.00           H  
HETATM   62  H   UNL     1       1.744  -0.233   1.847  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.538  -0.282  -4.096  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.136  -2.270  -4.428  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.097  -3.393  -2.502  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.440  -2.532  -0.228  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.387   3.212  -1.058  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.339   5.353  -0.451  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.889   5.568  -0.435  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.471   3.646  -1.024  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.497   1.494  -1.628  1.00  0.00           H  
HETATM   72  H   UNL     1       3.260   1.205   1.782  1.00  0.00           H  
HETATM   73  H   UNL     1       3.009   0.311   0.263  1.00  0.00           H  
HETATM   74  H   UNL     1       4.303   3.064   0.515  1.00  0.00           H  
HETATM   75  H   UNL     1       4.052   2.171  -1.003  1.00  0.00           H  
HETATM   76  H   UNL     1      -6.659  -5.274   0.374  1.00  0.00           H  
HETATM   77  H   UNL     1      -8.166  -4.382   0.692  1.00  0.00           H  
HETATM   78  H   UNL     1      -7.016  -3.782  -0.528  1.00  0.00           H  
CONECT    1    2    5                                                 
CONECT    2    1    7    3    3                                       
CONECT    3    2    2    4                                            
CONECT    4    3    5    5   40                                       
CONECT    5    1    4    4    6                                       
CONECT    6    5   44   45   46                                       
CONECT    7    2   12   12    8                                       
CONECT    8    7    9    9   47                                       
CONECT    9    8    8   10   48                                       
CONECT   10    9   11   11   49                                       
CONECT   11   10   10   12   50                                       
CONECT   12    7    7   11   51                                       
CONECT   13   25   14   52                                            
CONECT   14   13   17   15   53                                       
CONECT   15   14   16   54   55                                       
CONECT   16   15   41   56                                            
CONECT   17   14   18   57   58                                       
CONECT   18   17   19   19   20                                       
CONECT   19   18   18   21   59                                       
CONECT   20   18   22   22   60                                       
CONECT   21   19   23   23   61                                       
CONECT   22   20   20   23   62                                       
CONECT   23   21   21   22   24                                       
CONECT   24   23   39                                                 
CONECT   25   13   26   30   30                                       
CONECT   26   25   37   27   27                                       
CONECT   27   26   26   28   63                                       
CONECT   28   27   29   29   64                                       
CONECT   29   28   28   30   65                                       
CONECT   30   25   25   29   66                                       
CONECT   31   32   37   36   36                                       
CONECT   32   31   33   33   67                                       
CONECT   33   32   32   34   68                                       
CONECT   34   33   35   35   69                                       
CONECT   35   34   34   36   70                                       
CONECT   36   31   31   35   71                                       
CONECT   37   26   31   38   38                                       
CONECT   38   37   37                                                 
CONECT   39   24   40   72   73                                       
CONECT   40    4   39   74   75                                       
CONECT   41   16   43   43   42                                       
CONECT   42   41   76   77   78                                       
CONECT   43   41   41                                                 
CONECT   44    6                                                      
CONECT   45    6                                                      
CONECT   46    6                                                      
CONECT   47    8                                                      
CONECT   48    9                                                      
CONECT   49   10                                                      
CONECT   50   11                                                      
CONECT   51   12                                                      
CONECT   52   13                                                      
CONECT   53   14                                                      
CONECT   54   15                                                      
CONECT   55   15                                                      
CONECT   56   16                                                      
CONECT   57   17                                                      
CONECT   58   17                                                      
CONECT   59   19                                                      
CONECT   60   20                                                      
CONECT   61   21                                                      
CONECT   62   22                                                      
CONECT   63   27                                                      
CONECT   64   28                                                      
CONECT   65   29                                                      
CONECT   66   30                                                      
CONECT   67   32                                                      
CONECT   68   33                                                      
CONECT   69   34                                                      
CONECT   70   35                                                      
CONECT   71   36                                                      
CONECT   72   39                                                      
CONECT   73   39                                                      
CONECT   74   40                                                      
CONECT   75   40                                                      
CONECT   76   42                                                      
CONECT   77   42                                                      
CONECT   78   42                                                      
MASTER        0    0    0    0    0    0    0    0   78    0   78    0
END
