COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.980  -0.640  -0.626  1.00  0.00           C  
HETATM    2  C   UNL     1       5.517  -0.454   0.652  1.00  0.00           C  
HETATM    3  C   UNL     1       7.669   0.504   1.630  1.00  0.00           C  
HETATM    4  C   UNL     1       7.295   1.890   2.159  1.00  0.00           C  
HETATM    5  C   UNL     1       3.639  -1.253  -0.940  1.00  0.00           C  
HETATM    6  C   UNL     1       8.245   2.277   3.293  1.00  0.00           C  
HETATM    7  C   UNL     1       1.317  -0.748  -1.405  1.00  0.00           C  
HETATM    8  C   UNL     1       0.305   0.388  -1.561  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.962  -0.146  -2.232  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.996  -2.281  -1.038  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.672  -3.261  -0.018  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.226  -1.796   1.209  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.631  -1.222   2.572  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.767   0.884   2.595  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.602   1.715   1.638  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.945   3.022   1.347  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.095   3.310  -0.146  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.690   3.823  -0.732  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.218   2.974  -1.884  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.088   2.006  -1.454  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.908   1.023  -2.570  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.375   1.383  -0.175  1.00  0.00           C  
HETATM   23  C   UNL     1       6.733   0.123   0.512  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.150  -2.646   2.408  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.802  -3.983  -0.714  1.00  0.00           C  
HETATM   26  N   UNL     1       6.958   0.295  -0.807  1.00  0.00           N  
HETATM   27  N   UNL     1       2.639  -0.188  -1.097  1.00  0.00           N  
HETATM   28  N   UNL     1       5.840  -0.187  -1.501  1.00  0.00           N  
HETATM   29  N   UNL     1      -1.651  -1.089  -1.411  1.00  0.00           N  
HETATM   30  N   UNL     1      -2.050  -2.521   1.212  1.00  0.00           N  
HETATM   31  O   UNL     1       0.871   1.423  -2.367  1.00  0.00           O  
HETATM   32  O   UNL     1      -4.864  -0.542   2.351  1.00  0.00           O  
HETATM   33  O   UNL     1      -3.898  -1.627   0.278  1.00  0.00           O  
HETATM   34  O   UNL     1       0.063  -2.487  -1.488  1.00  0.00           O  
HETATM   35  H   UNL     1       5.044  -0.722   1.585  1.00  0.00           H  
HETATM   36  H   UNL     1       8.693   0.522   1.256  1.00  0.00           H  
HETATM   37  H   UNL     1       7.590  -0.226   2.435  1.00  0.00           H  
HETATM   38  H   UNL     1       7.375   2.620   1.353  1.00  0.00           H  
HETATM   39  H   UNL     1       6.271   1.872   2.533  1.00  0.00           H  
HETATM   40  H   UNL     1       3.709  -1.825  -1.865  1.00  0.00           H  
HETATM   41  H   UNL     1       3.342  -1.913  -0.126  1.00  0.00           H  
HETATM   42  H   UNL     1       7.979   3.264   3.670  1.00  0.00           H  
HETATM   43  H   UNL     1       8.166   1.547   4.099  1.00  0.00           H  
HETATM   44  H   UNL     1       9.269   2.295   2.920  1.00  0.00           H  
HETATM   45  H   UNL     1       1.003  -1.406  -0.594  1.00  0.00           H  
HETATM   46  H   UNL     1       1.370  -1.317  -2.333  1.00  0.00           H  
HETATM   47  H   UNL     1       0.054   0.789  -0.578  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.654  -0.600  -3.148  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.869  -4.008   0.250  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.860  -2.124   3.268  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.819  -0.594   2.989  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.711   1.185   2.654  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.152   1.079   3.611  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.691   1.118   0.716  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.595   1.868   2.112  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.447   3.766   1.928  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.914   2.993   1.611  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.285   2.427  -0.659  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.812   4.063  -0.229  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.855   4.829  -1.126  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.951   3.938   0.037  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.083   2.290  -2.234  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.950   3.563  -2.704  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.201   2.618  -1.383  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.533   1.501  -3.531  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.939   0.598  -2.834  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.304   0.817  -0.247  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.560   0.711   0.094  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.477   2.153   0.590  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.392  -1.865   2.375  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.740  -2.542   3.319  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.667  -3.623   2.398  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.408  -4.545  -1.561  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.281  -4.668  -0.015  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.533  -3.256  -1.069  1.00  0.00           H  
HETATM   76  H   UNL     1       7.751   0.687  -1.205  1.00  0.00           H  
HETATM   77  H   UNL     1       2.602   0.397  -0.276  1.00  0.00           H  
HETATM   78  H   UNL     1      -2.604  -0.942  -1.140  1.00  0.00           H  
HETATM   79  H   UNL     1       1.118   1.138  -3.257  1.00  0.00           H  
CONECT    1   28   28    2    5                                       
CONECT    2   23   23    1   35                                       
CONECT    3    4   23   36   37                                       
CONECT    4    6    3   38   39                                       
CONECT    5    1   27   40   41                                       
CONECT    6    4   42   43   44                                       
CONECT    7   27    8   45   46                                       
CONECT    8    7   31    9   47                                       
CONECT    9    8   21   29   48                                       
CONECT   10   34   34   29   11                                       
CONECT   11   10   25   30   49                                       
CONECT   12   30   33   33   13                                       
CONECT   13   12   32   50   51                                       
CONECT   14   32   15   52   53                                       
CONECT   15   16   14   54   55                                       
CONECT   16   17   15   56   57                                       
CONECT   17   18   16   58   59                                       
CONECT   18   19   17   60   61                                       
CONECT   19   20   18   62   63                                       
CONECT   20   22   21   19   64                                       
CONECT   21    9   20   65   66                                       
CONECT   22   20   67   68   69                                       
CONECT   23    3   26    2    2                                       
CONECT   24   30   70   71   72                                       
CONECT   25   11   73   74   75                                       
CONECT   26   23   28   76                                            
CONECT   27    5    7   77                                            
CONECT   28   26    1    1                                            
CONECT   29    9   10   78                                            
CONECT   30   11   24   12                                            
CONECT   31    8   79                                                 
CONECT   32   13   14                                                 
CONECT   33   12   12                                                 
CONECT   34   10   10                                                 
CONECT   35    2                                                      
CONECT   36    3                                                      
CONECT   37    3                                                      
CONECT   38    4                                                      
CONECT   39    4                                                      
CONECT   40    5                                                      
CONECT   41    5                                                      
CONECT   42    6                                                      
CONECT   43    6                                                      
CONECT   44    6                                                      
CONECT   45    7                                                      
CONECT   46    7                                                      
CONECT   47    8                                                      
CONECT   48    9                                                      
CONECT   49   11                                                      
CONECT   50   13                                                      
CONECT   51   13                                                      
CONECT   52   14                                                      
CONECT   53   14                                                      
CONECT   54   15                                                      
CONECT   55   15                                                      
CONECT   56   16                                                      
CONECT   57   16                                                      
CONECT   58   17                                                      
CONECT   59   17                                                      
CONECT   60   18                                                      
CONECT   61   18                                                      
CONECT   62   19                                                      
CONECT   63   19                                                      
CONECT   64   20                                                      
CONECT   65   21                                                      
CONECT   66   21                                                      
CONECT   67   22                                                      
CONECT   68   22                                                      
CONECT   69   22                                                      
CONECT   70   24                                                      
CONECT   71   24                                                      
CONECT   72   24                                                      
CONECT   73   25                                                      
CONECT   74   25                                                      
CONECT   75   25                                                      
CONECT   76   26                                                      
CONECT   77   27                                                      
CONECT   78   29                                                      
CONECT   79   31                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
