COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.098  -0.487  -1.018  1.00  0.00           C  
HETATM    2  N   UNL     1      -6.132  -0.902  -1.673  1.00  0.00           N  
HETATM    3  O   UNL     1      -6.119  -2.182  -2.279  1.00  0.00           O  
HETATM    4  C   UNL     1      -5.081   0.876  -0.359  1.00  0.00           C  
HETATM    5  O   UNL     1      -4.219   1.752  -1.088  1.00  0.00           O  
HETATM    6  C   UNL     1      -4.559   0.713   1.074  1.00  0.00           C  
HETATM    7  O   UNL     1      -5.482  -0.071   1.832  1.00  0.00           O  
HETATM    8  C   UNL     1      -3.199   0.011   1.041  1.00  0.00           C  
HETATM    9  O   UNL     1      -2.293   0.766   0.234  1.00  0.00           O  
HETATM   10  CA  UNL     1      -3.362  -1.392   0.448  1.00  0.00           C  
HETATM   11  N   UNL     1      -3.964  -1.276  -0.886  1.00  0.00           N  
HETATM   12  C   UNL     1      -4.275  -2.226   1.348  1.00  0.00           C  
HETATM   13  O   UNL     1      -4.297  -3.577   0.883  1.00  0.00           O  
HETATM   14  C   UNL     1      -1.550   1.748   0.960  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.806   2.656  -0.024  1.00  0.00           C  
HETATM   16  C   UNL     1       0.192   1.816  -0.826  1.00  0.00           C  
HETATM   17  C   UNL     1       1.143   1.108   0.145  1.00  0.00           C  
HETATM   18  C   UNL     1       0.324   0.261   1.122  1.00  0.00           C  
HETATM   19  C   UNL     1       1.263  -0.402   2.133  1.00  0.00           C  
HETATM   20  O   UNL     1      -1.744   3.263  -0.916  1.00  0.00           O  
HETATM   21  O   UNL     1       0.943   2.666  -1.696  1.00  0.00           O  
HETATM   22  O   UNL     1       2.034   0.265  -0.589  1.00  0.00           O  
HETATM   23  O   UNL     1      -0.606   1.098   1.812  1.00  0.00           O  
HETATM   24  O   UNL     1       0.510  -1.265   2.986  1.00  0.00           O  
HETATM   25  C   UNL     1       3.186   0.940  -1.099  1.00  0.00           C  
HETATM   26  C   UNL     1       3.901   0.038  -2.108  1.00  0.00           C  
HETATM   27  C   UNL     1       4.382  -1.230  -1.396  1.00  0.00           C  
HETATM   28  C   UNL     1       5.288  -0.834  -0.227  1.00  0.00           C  
HETATM   29  C   UNL     1       4.520   0.102   0.710  1.00  0.00           C  
HETATM   30  C   UNL     1       5.437   0.551   1.849  1.00  0.00           C  
HETATM   31  O   UNL     1       2.997  -0.317  -3.156  1.00  0.00           O  
HETATM   32  O   UNL     1       5.115  -2.045  -2.313  1.00  0.00           O  
HETATM   33  O   UNL     1       5.685  -2.005   0.489  1.00  0.00           O  
HETATM   34  O   UNL     1       4.074   1.246  -0.022  1.00  0.00           O  
HETATM   35  O   UNL     1       4.689   1.330   2.785  1.00  0.00           O  
HETATM   36  C   UNL     1       6.893  -2.598   0.009  1.00  0.00           C  
HETATM   37  H   UNL     1      -6.936  -2.405  -2.746  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.090   1.286  -0.338  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.483   1.885  -2.009  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.451   1.695   1.535  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.368   0.314   1.893  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.806  -0.067   2.054  1.00  0.00           H  
HETATM   43  HA  UNL     1      -2.386  -1.871   0.369  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.580  -1.735  -1.649  1.00  0.00           H  
HETATM   45  H1  UNL     1      -3.899  -2.200   2.371  1.00  0.00           H  
HETATM   46  H2  UNL     1      -5.285  -1.816   1.321  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.858  -4.165   1.408  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.232   2.348   1.563  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.272   3.430   0.526  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.346   1.073  -1.416  1.00  0.00           H  
HETATM   51  H   UNL     1       1.717   1.851   0.699  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.218  -0.508   0.571  1.00  0.00           H  
HETATM   53  H   UNL     1       2.017  -0.983   1.602  1.00  0.00           H  
HETATM   54  H   UNL     1       1.751   0.366   2.732  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.410   3.807  -0.475  1.00  0.00           H  
HETATM   56  H   UNL     1       0.402   3.152  -2.333  1.00  0.00           H  
HETATM   57  H   UNL     1       1.042  -1.720   3.654  1.00  0.00           H  
HETATM   58  H   UNL     1       2.878   1.863  -1.590  1.00  0.00           H  
HETATM   59  H   UNL     1       4.756   0.567  -2.527  1.00  0.00           H  
HETATM   60  H   UNL     1       3.523  -1.786  -1.019  1.00  0.00           H  
HETATM   61  H   UNL     1       6.172  -0.322  -0.608  1.00  0.00           H  
HETATM   62  H   UNL     1       3.659  -0.423   1.123  1.00  0.00           H  
HETATM   63  H   UNL     1       5.848  -0.325   2.351  1.00  0.00           H  
HETATM   64  H   UNL     1       6.251   1.153   1.444  1.00  0.00           H  
HETATM   65  H   UNL     1       2.648   0.439  -3.647  1.00  0.00           H  
HETATM   66  H   UNL     1       4.603  -2.328  -3.084  1.00  0.00           H  
HETATM   67  H   UNL     1       5.209   1.649   3.535  1.00  0.00           H  
HETATM   68  H   UNL     1       7.126  -3.481   0.604  1.00  0.00           H  
HETATM   69  H   UNL     1       6.766  -2.886  -1.035  1.00  0.00           H  
HETATM   70  H   UNL     1       7.708  -1.880   0.091  1.00  0.00           H  
CONECT    1    2    2    4   11                                       
CONECT    2    1    1    3                                            
CONECT    3    2   37                                                 
CONECT    4    1    5    6   38                                       
CONECT    5    4   39                                                 
CONECT    6    4    7    8   40                                       
CONECT    7    6   41                                                 
CONECT    8    6    9   10   42                                       
CONECT    9    8   14                                                 
CONECT   10    8   11   12   43                                       
CONECT   11    1   10   44                                            
CONECT   12   10   13   45   46                                       
CONECT   13   12   47                                                 
CONECT   14    9   15   23   48                                       
CONECT   15   14   16   20   49                                       
CONECT   16   15   17   21   50                                       
CONECT   17   16   18   22   51                                       
CONECT   18   17   19   23   52                                       
CONECT   19   18   24   53   54                                       
CONECT   20   15   55                                                 
CONECT   21   16   56                                                 
CONECT   22   17   25                                                 
CONECT   23   14   18                                                 
CONECT   24   19   57                                                 
CONECT   25   22   26   34   58                                       
CONECT   26   25   27   31   59                                       
CONECT   27   26   28   32   60                                       
CONECT   28   27   29   33   61                                       
CONECT   29   28   30   34   62                                       
CONECT   30   29   35   63   64                                       
CONECT   31   26   65                                                 
CONECT   32   27   66                                                 
CONECT   33   28   36                                                 
CONECT   34   25   29                                                 
CONECT   35   30   67                                                 
CONECT   36   33   68   69   70                                       
CONECT   37    3                                                      
CONECT   38    4                                                      
CONECT   39    5                                                      
CONECT   40    6                                                      
CONECT   41    7                                                      
CONECT   42    8                                                      
CONECT   43   10                                                      
CONECT   44   11                                                      
CONECT   45   12                                                      
CONECT   46   12                                                      
CONECT   47   13                                                      
CONECT   48   14                                                      
CONECT   49   15                                                      
CONECT   50   16                                                      
CONECT   51   17                                                      
CONECT   52   18                                                      
CONECT   53   19                                                      
CONECT   54   19                                                      
CONECT   55   20                                                      
CONECT   56   21                                                      
CONECT   57   24                                                      
CONECT   58   25                                                      
CONECT   59   26                                                      
CONECT   60   27                                                      
CONECT   61   28                                                      
CONECT   62   29                                                      
CONECT   63   30                                                      
CONECT   64   30                                                      
CONECT   65   31                                                      
CONECT   66   32                                                      
CONECT   67   35                                                      
CONECT   68   36                                                      
CONECT   69   36                                                      
CONECT   70   36                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
