COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.248   5.737   1.936  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.127  -4.302  -0.008  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.485  -2.783   1.107  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.738   1.209  -1.806  1.00  0.00           C  
HETATM    5  CD  UNL     1       1.095   2.697   0.862  1.00  0.00           C  
HETATM    6  C   UNL     1       0.868   0.394  -0.105  1.00  0.00           C  
HETATM    7  CA  UNL     1       2.329   0.359  -0.474  1.00  0.00           C  
HETATM    8  C   UNL     1       4.184  -1.138   0.030  1.00  0.00           C  
HETATM    9  C   UNL     1       6.107  -2.465   0.521  1.00  0.00           C  
HETATM   10  C   UNL     1       6.471  -1.624   1.746  1.00  0.00           C  
HETATM   11  C   UNL     1       6.872  -1.948  -0.698  1.00  0.00           C  
HETATM   12  CG  UNL     1       0.079   3.703   1.442  1.00  0.00           C  
HETATM   13  C   UNL     1       6.481  -3.926   0.776  1.00  0.00           C  
HETATM   14  CB  UNL     1       2.487   0.687  -1.960  1.00  0.00           C  
HETATM   15  CG2 UNL     1       2.006   2.115  -2.221  1.00  0.00           C  
HETATM   16  CG1 UNL     1       3.961   0.565  -2.354  1.00  0.00           C  
HETATM   17  CB  UNL     1      -1.264   3.239   0.818  1.00  0.00           C  
HETATM   18  CA  UNL     1      -1.080   1.701   0.792  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.955   1.087  -0.269  1.00  0.00           C  
HETATM   20  CA  UNL     1      -4.061   0.100  -0.998  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.129  -0.772  -0.335  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.458  -1.956   0.364  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.864  -2.934  -0.676  1.00  0.00           C  
HETATM   24  N   UNL     1      -3.210   0.698   0.034  1.00  0.00           N  
HETATM   25  N   UNL     1      -5.279  -4.091   0.876  1.00  0.00           N  
HETATM   26  N   UNL     1       0.343   1.497   0.465  1.00  0.00           N  
HETATM   27  N   UNL     1       2.867  -0.978  -0.208  1.00  0.00           N  
HETATM   28  OD  UNL     1       0.395   5.034   1.030  1.00  0.00           O  
HETATM   29  O   UNL     1      -1.531   0.941  -1.396  1.00  0.00           O  
HETATM   30  O   UNL     1      -6.365  -2.332   1.808  1.00  0.00           O  
HETATM   31  O   UNL     1      -5.627   1.941  -0.960  1.00  0.00           O  
HETATM   32  O   UNL     1       0.165  -0.570  -0.320  1.00  0.00           O  
HETATM   33  O   UNL     1       4.925  -0.175   0.023  1.00  0.00           O  
HETATM   34  O   UNL     1       4.679  -2.366   0.274  1.00  0.00           O  
HETATM   35  H   UNL     1       1.440   6.738   1.551  1.00  0.00           H  
HETATM   36  H   UNL     1       0.763   5.808   2.909  1.00  0.00           H  
HETATM   37  H   UNL     1       2.191   5.199   2.037  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.363  -5.051  -0.764  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.258  -4.611   0.572  1.00  0.00           H  
HETATM   40  HD1 UNL     1       1.590   3.129  -0.007  1.00  0.00           H  
HETATM   41  HD2 UNL     1       1.835   2.436   1.619  1.00  0.00           H  
HETATM   42  HA  UNL     1       2.872   1.094   0.120  1.00  0.00           H  
HETATM   43  H   UNL     1       5.925  -1.992   2.615  1.00  0.00           H  
HETATM   44  H   UNL     1       7.542  -1.697   1.932  1.00  0.00           H  
HETATM   45  H   UNL     1       6.204  -0.582   1.564  1.00  0.00           H  
HETATM   46  H   UNL     1       6.606  -0.906  -0.880  1.00  0.00           H  
HETATM   47  H   UNL     1       7.944  -2.021  -0.512  1.00  0.00           H  
HETATM   48  H   UNL     1       6.613  -2.547  -1.571  1.00  0.00           H  
HETATM   49  HG  UNL     1       0.044   3.633   2.529  1.00  0.00           H  
HETATM   50  H   UNL     1       6.221  -4.525  -0.097  1.00  0.00           H  
HETATM   51  H   UNL     1       7.552  -4.000   0.962  1.00  0.00           H  
HETATM   52  H   UNL     1       5.935  -4.294   1.645  1.00  0.00           H  
HETATM   53  HB  UNL     1       1.894  -0.011  -2.551  1.00  0.00           H  
HETATM   54 HG21 UNL     1       2.563   2.807  -1.591  1.00  0.00           H  
HETATM   55 HG22 UNL     1       2.167   2.367  -3.269  1.00  0.00           H  
HETATM   56 HG23 UNL     1       0.943   2.188  -1.990  1.00  0.00           H  
HETATM   57 HG11 UNL     1       4.304  -0.453  -2.168  1.00  0.00           H  
HETATM   58 HG12 UNL     1       4.074   0.798  -3.413  1.00  0.00           H  
HETATM   59 HG13 UNL     1       4.554   1.263  -1.763  1.00  0.00           H  
HETATM   60  HB1 UNL     1      -2.106   3.521   1.451  1.00  0.00           H  
HETATM   61  HB2 UNL     1      -1.384   3.636  -0.190  1.00  0.00           H  
HETATM   62  HA  UNL     1      -1.311   1.275   1.768  1.00  0.00           H  
HETATM   63  HA  UNL     1      -3.451  -0.513  -1.662  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.678  -0.181   0.397  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.818  -1.142  -1.094  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.683  -1.608   1.047  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.795  -2.762  -0.806  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.389  -2.857  -1.628  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.549   0.814   0.935  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.823  -4.805   1.246  1.00  0.00           H  
HETATM   71  H   UNL     1       2.276  -1.747  -0.203  1.00  0.00           H  
HETATM   72  H1  UNL     1      -3.979   1.883  -2.205  1.00  0.00           H  
HETATM   73  H2  UNL     1      -5.300   0.768  -2.629  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.091   2.661  -1.407  1.00  0.00           H  
CONECT    1   28   35   36   37                                       
CONECT    2   25   23   38   39                                       
CONECT    3   30   30   22   25                                       
CONECT    4   20   31   72   73                                       
CONECT    5   12   26   40   41                                       
CONECT    6    7   26   32   32                                       
CONECT    7   27    6   14   42                                       
CONECT    8   34   33   33   27                                       
CONECT    9   11   13   10   34                                       
CONECT   10    9   43   44   45                                       
CONECT   11    9   46   47   48                                       
CONECT   12   28    5   17   49                                       
CONECT   13    9   50   51   52                                       
CONECT   14    7   16   15   53                                       
CONECT   15   14   54   55   56                                       
CONECT   16   14   57   58   59                                       
CONECT   17   12   18   60   61                                       
CONECT   18   26   17   19   62                                       
CONECT   19   18   29   29   24                                       
CONECT   20   24   21    4   63                                       
CONECT   21   22   20   64   65                                       
CONECT   22    3   23   21   66                                       
CONECT   23   22    2   67   68                                       
CONECT   24   19   20   69                                            
CONECT   25    3    2   70                                            
CONECT   26    5    6   18                                            
CONECT   27    8    7   71                                            
CONECT   28    1   12                                                 
CONECT   29   19   19                                                 
CONECT   30    3    3                                                 
CONECT   31    4   74                                                 
CONECT   32    6    6                                                 
CONECT   33    8    8                                                 
CONECT   34    9    8                                                 
CONECT   35    1                                                      
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    2                                                      
CONECT   39    2                                                      
CONECT   40    5                                                      
CONECT   41    5                                                      
CONECT   42    7                                                      
CONECT   43   10                                                      
CONECT   44   10                                                      
CONECT   45   10                                                      
CONECT   46   11                                                      
CONECT   47   11                                                      
CONECT   48   11                                                      
CONECT   49   12                                                      
CONECT   50   13                                                      
CONECT   51   13                                                      
CONECT   52   13                                                      
CONECT   53   14                                                      
CONECT   54   15                                                      
CONECT   55   15                                                      
CONECT   56   15                                                      
CONECT   57   16                                                      
CONECT   58   16                                                      
CONECT   59   16                                                      
CONECT   60   17                                                      
CONECT   61   17                                                      
CONECT   62   18                                                      
CONECT   63   20                                                      
CONECT   64   21                                                      
CONECT   65   21                                                      
CONECT   66   22                                                      
CONECT   67   23                                                      
CONECT   68   23                                                      
CONECT   69   24                                                      
CONECT   70   25                                                      
CONECT   71   27                                                      
CONECT   72    4                                                      
CONECT   73    4                                                      
CONECT   74   31                                                      
MASTER        0    0    0    0    0    0    0    0   74    0   74    0
END
