COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -7.024   0.206  -0.025  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.718   1.338   2.160  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.809   0.456   0.849  1.00  0.00           C  
HETATM    4  N   UNL     1      -3.990   1.498   0.766  1.00  0.00           N  
HETATM    5  C   UNL     1      -2.693   1.322   0.558  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.479   2.263   0.366  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.865   2.431   0.477  1.00  0.00           N  
HETATM    8  C   UNL     1       0.273   3.168  -0.371  1.00  0.00           C  
HETATM    9  C   UNL     1       1.639   3.003  -0.481  1.00  0.00           C  
HETATM   10  C   UNL     1       2.261   1.931   0.146  1.00  0.00           C  
HETATM   11  C   UNL     1       4.172   0.524  -0.036  1.00  0.00           C  
HETATM   12  N   UNL     1       3.647   1.763   0.035  1.00  0.00           N  
HETATM   13  C   UNL     1       5.621   0.348  -0.258  1.00  0.00           C  
HETATM   14  C   UNL     1       6.167  -0.936  -0.332  1.00  0.00           C  
HETATM   15  C   UNL     1       7.518  -1.097  -0.539  1.00  0.00           C  
HETATM   16  N   UNL     1       9.708  -0.149  -0.886  1.00  0.00           N  
HETATM   17  O   UNL     1      -6.844  -3.211   0.646  1.00  0.00           O  
HETATM   18  C   UNL     1      -6.310  -2.142   0.421  1.00  0.00           C  
HETATM   19  C   UNL     1      -7.079  -1.156  -0.347  1.00  0.00           C  
HETATM   20  C   UNL     1      -7.892  -1.580  -1.404  1.00  0.00           C  
HETATM   21  N   UNL     1      -5.083  -1.968   0.892  1.00  0.00           N  
HETATM   22  C   UNL     1      -4.504  -3.085   1.642  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.285  -0.834   0.747  1.00  0.00           C  
HETATM   24  N   UNL     1      -6.176   0.658   0.980  1.00  0.00           N  
HETATM   25  C   UNL     1      -7.808   1.113  -0.726  1.00  0.00           C  
HETATM   26  C   UNL     1      -8.616   0.678  -1.757  1.00  0.00           C  
HETATM   27  C   UNL     1      -8.652  -0.664  -2.098  1.00  0.00           C  
HETATM   28  C   UNL     1      -9.527  -1.125  -3.235  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.923  -0.972   0.515  1.00  0.00           C  
HETATM   30  N   UNL     1      -2.169   0.114   0.426  1.00  0.00           N  
HETATM   31  C   UNL     1       0.144   1.195   0.998  1.00  0.00           C  
HETATM   32  C   UNL     1       1.509   1.026   0.884  1.00  0.00           C  
HETATM   33  O   UNL     1       3.453  -0.449   0.083  1.00  0.00           O  
HETATM   34  C   UNL     1       6.448   1.465  -0.400  1.00  0.00           C  
HETATM   35  C   UNL     1       7.799   1.297  -0.607  1.00  0.00           C  
HETATM   36  C   UNL     1       8.340   0.017  -0.675  1.00  0.00           C  
HETATM   37  C   UNL     1      10.367  -1.155  -0.277  1.00  0.00           C  
HETATM   38  O   UNL     1       9.755  -1.966   0.386  1.00  0.00           O  
HETATM   39  C   UNL     1      11.862  -1.273  -0.421  1.00  0.00           C  
HETATM   40  C   UNL     1      12.355  -2.491   0.362  1.00  0.00           C  
HETATM   41  H   UNL     1      -6.939   0.602   2.933  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.985   2.052   2.536  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.632   1.865   1.888  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.245   3.323   0.497  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.211   4.002  -0.859  1.00  0.00           H  
HETATM   46  H   UNL     1       2.224   3.707  -1.054  1.00  0.00           H  
HETATM   47  H   UNL     1       4.229   2.539   0.009  1.00  0.00           H  
HETATM   48  H   UNL     1       5.529  -1.802  -0.226  1.00  0.00           H  
HETATM   49  H   UNL     1       7.941  -2.089  -0.596  1.00  0.00           H  
HETATM   50  H   UNL     1      10.186   0.459  -1.471  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.924  -2.625  -1.675  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.221  -3.905   1.684  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.594  -3.423   1.146  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.266  -2.758   2.655  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.784   2.161  -0.465  1.00  0.00           H  
HETATM   56  H   UNL     1      -9.224   1.387  -2.299  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.962  -1.090  -4.166  1.00  0.00           H  
HETATM   58  H   UNL     1      -9.857  -2.147  -3.049  1.00  0.00           H  
HETATM   59  H   UNL     1     -10.396  -0.472  -3.313  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.484  -1.953   0.407  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.441   0.494   1.576  1.00  0.00           H  
HETATM   62  H   UNL     1       1.993   0.195   1.375  1.00  0.00           H  
HETATM   63  H   UNL     1       6.029   2.459  -0.348  1.00  0.00           H  
HETATM   64  H   UNL     1       8.439   2.160  -0.717  1.00  0.00           H  
HETATM   65  H   UNL     1      12.118  -1.390  -1.474  1.00  0.00           H  
HETATM   66  H   UNL     1      12.337  -0.373  -0.030  1.00  0.00           H  
HETATM   67  H   UNL     1      12.100  -2.374   1.415  1.00  0.00           H  
HETATM   68  H   UNL     1      11.881  -3.391  -0.029  1.00  0.00           H  
HETATM   69  H   UNL     1      13.437  -2.577   0.258  1.00  0.00           H  
CONECT    1   25   24   19   19                                       
CONECT    2   24   41   42   43                                       
CONECT    3   24   23   23    4                                       
CONECT    4    3    5    5                                            
CONECT    5    4    4   30    7                                       
CONECT    6   31    7    8    8                                       
CONECT    7    5    6   44                                            
CONECT    8    6    6    9   45                                       
CONECT    9   10   10    8   46                                       
CONECT   10   32   12    9    9                                       
CONECT   11   12   13   33   33                                       
CONECT   12   10   11   47                                            
CONECT   13   34   11   14   14                                       
CONECT   14   13   13   15   48                                       
CONECT   15   36   36   14   49                                       
CONECT   16   36   37   50                                            
CONECT   17   18   18                                                 
CONECT   18   17   17   19   21                                       
CONECT   19    1    1   20   18                                       
CONECT   20   27   27   19   51                                       
CONECT   21   18   22   23                                            
CONECT   22   21   52   53   54                                       
CONECT   23   21    3    3   29                                       
CONECT   24    2    1    3                                            
CONECT   25   26   26    1   55                                       
CONECT   26   25   25   27   56                                       
CONECT   27   28   26   20   20                                       
CONECT   28   27   57   58   59                                       
CONECT   29   23   30   30   60                                       
CONECT   30   29   29    5                                            
CONECT   31   32   32    6   61                                       
CONECT   32   31   31   10   62                                       
CONECT   33   11   11                                                 
CONECT   34   35   35   13   63                                       
CONECT   35   34   34   36   64                                       
CONECT   36   35   16   15   15                                       
CONECT   37   39   16   38   38                                       
CONECT   38   37   37                                                 
CONECT   39   40   37   65   66                                       
CONECT   40   39   67   68   69                                       
CONECT   41    2                                                      
CONECT   42    2                                                      
CONECT   43    2                                                      
CONECT   44    7                                                      
CONECT   45    8                                                      
CONECT   46    9                                                      
CONECT   47   12                                                      
CONECT   48   14                                                      
CONECT   49   15                                                      
CONECT   50   16                                                      
CONECT   51   20                                                      
CONECT   52   22                                                      
CONECT   53   22                                                      
CONECT   54   22                                                      
CONECT   55   25                                                      
CONECT   56   26                                                      
CONECT   57   28                                                      
CONECT   58   28                                                      
CONECT   59   28                                                      
CONECT   60   29                                                      
CONECT   61   31                                                      
CONECT   62   32                                                      
CONECT   63   34                                                      
CONECT   64   35                                                      
CONECT   65   39                                                      
CONECT   66   39                                                      
CONECT   67   40                                                      
CONECT   68   40                                                      
CONECT   69   40                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
