COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.142  -0.196  -2.574  1.00  0.00           C  
HETATM    2  O   UNL     1       0.028  -0.989  -2.371  1.00  0.00           O  
HETATM    3  C   UNL     1      -2.181  -1.012  -3.346  1.00  0.00           C  
HETATM    4  N   UNL     1      -2.551  -2.200  -2.565  1.00  0.00           N  
HETATM    5  C   UNL     1      -1.580  -1.445  -4.688  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.058  -0.200  -5.414  1.00  0.00           C  
HETATM    7  O   UNL     1      -0.362  -0.593  -6.598  1.00  0.00           O  
HETATM    8  C   UNL     1      -0.102   0.554  -4.486  1.00  0.00           C  
HETATM    9  O   UNL     1      -0.799   0.973  -3.315  1.00  0.00           O  
HETATM   10  C   UNL     1       0.451   1.780  -5.215  1.00  0.00           C  
HETATM   11  N   UNL     1       1.371   2.503  -4.326  1.00  0.00           N  
HETATM   12  C   UNL     1       2.642  -0.465   0.915  1.00  0.00           C  
HETATM   13  N   UNL     1       3.431   0.201   1.959  1.00  0.00           N  
HETATM   14  C   UNL     1       3.100   0.022  -0.460  1.00  0.00           C  
HETATM   15  C   UNL     1       2.277  -0.671  -1.547  1.00  0.00           C  
HETATM   16  N   UNL     1       2.717  -0.203  -2.868  1.00  0.00           N  
HETATM   17  C   UNL     1       0.796  -0.341  -1.356  1.00  0.00           C  
HETATM   18  C   UNL     1       0.338  -0.829   0.019  1.00  0.00           C  
HETATM   19  O   UNL     1      -1.045  -0.520   0.198  1.00  0.00           O  
HETATM   20  C   UNL     1       1.160  -0.134   1.107  1.00  0.00           C  
HETATM   21  O   UNL     1       0.732  -0.590   2.392  1.00  0.00           O  
HETATM   22  C   UNL     1       0.951   0.485   3.306  1.00  0.00           C  
HETATM   23  C   UNL     1       0.886  -0.043   4.740  1.00  0.00           C  
HETATM   24  O   UNL     1       1.910  -1.021   4.936  1.00  0.00           O  
HETATM   25  C   UNL     1      -0.484  -0.683   4.976  1.00  0.00           C  
HETATM   26  N   UNL     1      -0.621  -1.059   6.389  1.00  0.00           N  
HETATM   27  C   UNL     1      -1.569   0.334   4.607  1.00  0.00           C  
HETATM   28  O   UNL     1      -2.854  -0.286   4.677  1.00  0.00           O  
HETATM   29  C   UNL     1      -1.320   0.835   3.183  1.00  0.00           C  
HETATM   30  O   UNL     1      -0.050   1.482   3.114  1.00  0.00           O  
HETATM   31  C   UNL     1      -2.418   1.828   2.795  1.00  0.00           C  
HETATM   32  O   UNL     1      -2.245   2.221   1.432  1.00  0.00           O  
HETATM   33  H   UNL     1      -1.554   0.094  -1.608  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.067  -0.402  -3.523  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.234  -2.704  -3.111  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.729  -2.784  -2.518  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.758  -2.139  -4.514  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.347  -1.926  -5.294  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.895   0.444  -5.680  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.997  -1.071  -7.150  1.00  0.00           H  
HETATM   41  H   UNL     1       0.720  -0.101  -4.203  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.370   2.436  -5.499  1.00  0.00           H  
HETATM   43  H   UNL     1       0.986   1.460  -6.109  1.00  0.00           H  
HETATM   44  H   UNL     1       1.710   3.299  -4.846  1.00  0.00           H  
HETATM   45  H   UNL     1       0.814   2.867  -3.568  1.00  0.00           H  
HETATM   46  H   UNL     1       2.785  -1.543   0.984  1.00  0.00           H  
HETATM   47  H   UNL     1       4.396  -0.043   1.794  1.00  0.00           H  
HETATM   48  H   UNL     1       3.352   1.193   1.794  1.00  0.00           H  
HETATM   49  H   UNL     1       4.155  -0.212  -0.596  1.00  0.00           H  
HETATM   50  H   UNL     1       2.956   1.101  -0.529  1.00  0.00           H  
HETATM   51  H   UNL     1       2.421  -1.750  -1.478  1.00  0.00           H  
HETATM   52  H   UNL     1       3.723  -0.277  -2.882  1.00  0.00           H  
HETATM   53  H   UNL     1       2.368  -0.867  -3.542  1.00  0.00           H  
HETATM   54  H   UNL     1       0.653   0.737  -1.425  1.00  0.00           H  
HETATM   55  H   UNL     1       0.481  -1.907   0.088  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.325  -0.955   1.015  1.00  0.00           H  
HETATM   57  H   UNL     1       1.017   0.943   1.037  1.00  0.00           H  
HETATM   58  H   UNL     1       1.934   0.921   3.124  1.00  0.00           H  
HETATM   59  H   UNL     1       1.029   0.779   5.440  1.00  0.00           H  
HETATM   60  H   UNL     1       2.754  -0.577   4.778  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.587  -1.570   4.350  1.00  0.00           H  
HETATM   62  H   UNL     1       0.110  -1.726   6.584  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.411  -0.233   6.930  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.532   1.174   5.301  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.504   0.386   4.432  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.335  -0.008   2.494  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.393   1.356   2.916  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.357   2.707   3.437  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.905   2.903   1.252  1.00  0.00           H  
CONECT    1    2    3    9   33                                       
CONECT    2    1   17                                                 
CONECT    3    1    4    5   34                                       
CONECT    4    3   35   36                                            
CONECT    5    3    6   37   38                                       
CONECT    6    5    7    8   39                                       
CONECT    7    6   40                                                 
CONECT    8    6    9   10   41                                       
CONECT    9    1    8                                                 
CONECT   10    8   11   42   43                                       
CONECT   11   10   44   45                                            
CONECT   12   13   14   20   46                                       
CONECT   13   12   47   48                                            
CONECT   14   12   15   49   50                                       
CONECT   15   14   16   17   51                                       
CONECT   16   15   52   53                                            
CONECT   17    2   15   18   54                                       
CONECT   18   17   19   20   55                                       
CONECT   19   18   56                                                 
CONECT   20   12   18   21   57                                       
CONECT   21   20   22                                                 
CONECT   22   21   23   30   58                                       
CONECT   23   22   24   25   59                                       
CONECT   24   23   60                                                 
CONECT   25   23   26   27   61                                       
CONECT   26   25   62   63                                            
CONECT   27   25   28   29   64                                       
CONECT   28   27   65                                                 
CONECT   29   27   30   31   66                                       
CONECT   30   22   29                                                 
CONECT   31   29   32   67   68                                       
CONECT   32   31   69                                                 
CONECT   33    1                                                      
CONECT   34    3                                                      
CONECT   35    4                                                      
CONECT   36    4                                                      
CONECT   37    5                                                      
CONECT   38    5                                                      
CONECT   39    6                                                      
CONECT   40    7                                                      
CONECT   41    8                                                      
CONECT   42   10                                                      
CONECT   43   10                                                      
CONECT   44   11                                                      
CONECT   45   11                                                      
CONECT   46   12                                                      
CONECT   47   13                                                      
CONECT   48   13                                                      
CONECT   49   14                                                      
CONECT   50   14                                                      
CONECT   51   15                                                      
CONECT   52   16                                                      
CONECT   53   16                                                      
CONECT   54   17                                                      
CONECT   55   18                                                      
CONECT   56   19                                                      
CONECT   57   20                                                      
CONECT   58   22                                                      
CONECT   59   23                                                      
CONECT   60   24                                                      
CONECT   61   25                                                      
CONECT   62   26                                                      
CONECT   63   26                                                      
CONECT   64   27                                                      
CONECT   65   28                                                      
CONECT   66   29                                                      
CONECT   67   31                                                      
CONECT   68   31                                                      
CONECT   69   32                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
