COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.544  -2.502   0.504  1.00  0.00           C  
HETATM    2  O   UNL     1       3.078  -3.607   0.334  1.00  0.00           O  
HETATM    3  N   UNL     1       2.481  -1.910   1.773  1.00  0.00           N  
HETATM    4  C   UNL     1       3.378  -2.410   2.809  1.00  0.00           C  
HETATM    5  C   UNL     1       1.336  -1.112   2.250  1.00  0.00           C  
HETATM    6  C   UNL     1       1.301   0.313   1.694  1.00  0.00           C  
HETATM    7  O   UNL     1       0.283   1.033   2.401  1.00  0.00           O  
HETATM    8  C   UNL     1       1.003   0.394   0.201  1.00  0.00           C  
HETATM    9  O   UNL     1       0.944   1.773  -0.186  1.00  0.00           O  
HETATM   10  C   UNL     1       2.022  -0.322  -0.689  1.00  0.00           C  
HETATM   11  C   UNL     1       1.683  -2.522  -1.794  1.00  0.00           C  
HETATM   12  N   UNL     1       1.980  -1.792  -0.566  1.00  0.00           N  
HETATM   13  C   UNL     1       4.687  -1.674   2.822  1.00  0.00           C  
HETATM   14  C   UNL     1       4.827  -0.538   3.611  1.00  0.00           C  
HETATM   15  C   UNL     1       6.042   0.147   3.623  1.00  0.00           C  
HETATM   16  C   UNL     1       7.108  -0.308   2.846  1.00  0.00           C  
HETATM   17  C   UNL     1       6.958  -1.449   2.058  1.00  0.00           C  
HETATM   18  N   UNL     1       8.035  -1.909   1.272  1.00  0.00           N  
HETATM   19  C   UNL     1       5.743  -2.134   2.046  1.00  0.00           C  
HETATM   20  C   UNL     1       0.015  -1.882   2.102  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.103  -2.965   3.135  1.00  0.00           C  
HETATM   22  C   UNL     1       0.380  -4.238   2.855  1.00  0.00           C  
HETATM   23  C   UNL     1       0.270  -5.244   3.815  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.323  -4.970   5.048  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.805  -3.690   5.321  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.695  -2.684   4.361  1.00  0.00           C  
HETATM   27  C   UNL     1       3.461   0.204  -0.574  1.00  0.00           C  
HETATM   28  C   UNL     1       4.249  -0.086  -1.818  1.00  0.00           C  
HETATM   29  C   UNL     1       4.959  -1.276  -1.920  1.00  0.00           C  
HETATM   30  C   UNL     1       5.692  -1.545  -3.076  1.00  0.00           C  
HETATM   31  C   UNL     1       5.709  -0.623  -4.122  1.00  0.00           C  
HETATM   32  C   UNL     1       4.993   0.570  -4.012  1.00  0.00           C  
HETATM   33  C   UNL     1       4.261   0.839  -2.855  1.00  0.00           C  
HETATM   34  C   UNL     1       0.294  -3.092  -1.787  1.00  0.00           C  
HETATM   35  C   UNL     1       0.077  -4.367  -1.280  1.00  0.00           C  
HETATM   36  C   UNL     1      -1.214  -4.896  -1.273  1.00  0.00           C  
HETATM   37  N   UNL     1      -1.444  -6.190  -0.760  1.00  0.00           N  
HETATM   38  C   UNL     1      -2.279  -4.145  -1.771  1.00  0.00           C  
HETATM   39  C   UNL     1      -2.052  -2.865  -2.277  1.00  0.00           C  
HETATM   40  C   UNL     1      -0.761  -2.336  -2.285  1.00  0.00           C  
HETATM   41  H   UNL     1       3.539  -3.479   2.629  1.00  0.00           H  
HETATM   42  H   UNL     1       2.864  -2.316   3.771  1.00  0.00           H  
HETATM   43  H   UNL     1       1.471  -1.007   3.336  1.00  0.00           H  
HETATM   44  H   UNL     1       2.243   0.828   1.915  1.00  0.00           H  
HETATM   45  H   UNL     1       0.029   1.770   1.829  1.00  0.00           H  
HETATM   46  H   UNL     1       0.000  -0.005   0.005  1.00  0.00           H  
HETATM   47  H   UNL     1       1.430   1.838  -1.020  1.00  0.00           H  
HETATM   48  H   UNL     1       1.730  -0.095  -1.724  1.00  0.00           H  
HETATM   49  H   UNL     1       2.426  -3.319  -1.901  1.00  0.00           H  
HETATM   50  H   UNL     1       1.820  -1.833  -2.634  1.00  0.00           H  
HETATM   51  H   UNL     1       4.002  -0.176   4.219  1.00  0.00           H  
HETATM   52  H   UNL     1       6.159   1.035   4.238  1.00  0.00           H  
HETATM   53  H   UNL     1       8.050   0.233   2.863  1.00  0.00           H  
HETATM   54  H   UNL     1       8.354  -2.850   1.384  1.00  0.00           H  
HETATM   55  H   UNL     1       8.521  -1.262   0.685  1.00  0.00           H  
HETATM   56  H   UNL     1       5.624  -3.024   1.431  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.038  -2.308   1.098  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.817  -1.181   2.190  1.00  0.00           H  
HETATM   59  H   UNL     1       0.843  -4.461   1.898  1.00  0.00           H  
HETATM   60  H   UNL     1       0.645  -6.241   3.603  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.408  -5.754   5.795  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.266  -3.477   6.281  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.074  -1.690   4.582  1.00  0.00           H  
HETATM   64  H   UNL     1       3.939  -0.255   0.294  1.00  0.00           H  
HETATM   65  H   UNL     1       3.432   1.279  -0.384  1.00  0.00           H  
HETATM   66  H   UNL     1       4.952  -2.001  -1.111  1.00  0.00           H  
HETATM   67  H   UNL     1       6.249  -2.474  -3.162  1.00  0.00           H  
HETATM   68  H   UNL     1       6.279  -0.832  -5.022  1.00  0.00           H  
HETATM   69  H   UNL     1       5.006   1.288  -4.826  1.00  0.00           H  
HETATM   70  H   UNL     1       3.706   1.770  -2.778  1.00  0.00           H  
HETATM   71  H   UNL     1       0.908  -4.951  -0.891  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.089  -6.308  -0.005  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.890  -6.952  -1.094  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.288  -4.547  -1.770  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.881  -2.280  -2.666  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.594  -1.338  -2.681  1.00  0.00           H  
CONECT    1    2    2    3   12                                       
CONECT    2    1    1                                                 
CONECT    3    1    4    5                                            
CONECT    4    3   13   41   42                                       
CONECT    5    3    6   20   43                                       
CONECT    6    5    7    8   44                                       
CONECT    7    6   45                                                 
CONECT    8    6    9   10   46                                       
CONECT    9    8   47                                                 
CONECT   10    8   12   27   48                                       
CONECT   11   12   34   49   50                                       
CONECT   12    1   10   11                                            
CONECT   13    4   14   14   19                                       
CONECT   14   13   13   15   51                                       
CONECT   15   14   16   16   52                                       
CONECT   16   15   15   17   53                                       
CONECT   17   16   18   19   19                                       
CONECT   18   17   54   55                                            
CONECT   19   13   17   17   56                                       
CONECT   20    5   21   57   58                                       
CONECT   21   20   22   22   26                                       
CONECT   22   21   21   23   59                                       
CONECT   23   22   24   24   60                                       
CONECT   24   23   23   25   61                                       
CONECT   25   24   26   26   62                                       
CONECT   26   21   25   25   63                                       
CONECT   27   10   28   64   65                                       
CONECT   28   27   29   29   33                                       
CONECT   29   28   28   30   66                                       
CONECT   30   29   31   31   67                                       
CONECT   31   30   30   32   68                                       
CONECT   32   31   33   33   69                                       
CONECT   33   28   32   32   70                                       
CONECT   34   11   35   35   40                                       
CONECT   35   34   34   36   71                                       
CONECT   36   35   37   38   38                                       
CONECT   37   36   72   73                                            
CONECT   38   36   36   39   74                                       
CONECT   39   38   40   40   75                                       
CONECT   40   34   39   39   76                                       
CONECT   41    4                                                      
CONECT   42    4                                                      
CONECT   43    5                                                      
CONECT   44    6                                                      
CONECT   45    7                                                      
CONECT   46    8                                                      
CONECT   47    9                                                      
CONECT   48   10                                                      
CONECT   49   11                                                      
CONECT   50   11                                                      
CONECT   51   14                                                      
CONECT   52   15                                                      
CONECT   53   16                                                      
CONECT   54   18                                                      
CONECT   55   18                                                      
CONECT   56   19                                                      
CONECT   57   20                                                      
CONECT   58   20                                                      
CONECT   59   22                                                      
CONECT   60   23                                                      
CONECT   61   24                                                      
CONECT   62   25                                                      
CONECT   63   26                                                      
CONECT   64   27                                                      
CONECT   65   27                                                      
CONECT   66   29                                                      
CONECT   67   30                                                      
CONECT   68   31                                                      
CONECT   69   32                                                      
CONECT   70   33                                                      
CONECT   71   35                                                      
CONECT   72   37                                                      
CONECT   73   37                                                      
CONECT   74   38                                                      
CONECT   75   39                                                      
CONECT   76   40                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
