COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.686   1.166   0.696  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.373   0.155   0.023  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.693   0.324  -0.290  1.00  0.00           C  
HETATM    4  C   UNL     1      -8.355   1.494   0.056  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.696   2.505   0.720  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.353   2.354   1.049  1.00  0.00           C  
HETATM    7  N   UNL     1      -5.438   3.157   1.693  1.00  0.00           N  
HETATM    8  C   UNL     1      -4.227   2.523   1.759  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.311   1.315   1.180  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.199   0.307   1.044  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.530   0.466  -0.322  1.00  0.00           C  
HETATM   12  N   UNL     1      -1.446  -0.516  -0.454  1.00  0.00           N  
HETATM   13  C   UNL     1      -1.977  -1.886  -0.482  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.844  -2.878  -0.215  1.00  0.00           C  
HETATM   15  CA  UNL     1      -1.380  -4.307  -0.329  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.238  -5.283  -0.205  1.00  0.00           C  
HETATM   17  O   UNL     1      -0.024  -5.830   0.851  1.00  0.00           O  
HETATM   18  OXT UNL     1       0.540  -5.544  -1.267  1.00  0.00           O  
HETATM   19  N   UNL     1      -2.353  -4.552   0.743  1.00  0.00           N  
HETATM   20  C   UNL     1      -0.630  -0.244  -1.644  1.00  0.00           C  
HETATM   21  C   UNL     1       0.293   0.945  -1.369  1.00  0.00           C  
HETATM   22  O   UNL     1       1.196   0.625  -0.298  1.00  0.00           O  
HETATM   23  C   UNL     1       1.148   1.245  -2.615  1.00  0.00           C  
HETATM   24  O   UNL     1       0.901   2.572  -3.085  1.00  0.00           O  
HETATM   25  C   UNL     1       2.607   1.110  -2.115  1.00  0.00           C  
HETATM   26  O   UNL     1       3.432   2.139  -2.666  1.00  0.00           O  
HETATM   27  C   UNL     1       2.444   1.291  -0.585  1.00  0.00           C  
HETATM   28  N   UNL     1       3.549   0.649   0.131  1.00  0.00           N  
HETATM   29  C   UNL     1       3.580  -0.638   0.579  1.00  0.00           C  
HETATM   30  N   UNL     1       4.715  -0.876   1.171  1.00  0.00           N  
HETATM   31  C   UNL     1       5.481   0.241   1.142  1.00  0.00           C  
HETATM   32  C   UNL     1       4.745   1.231   0.470  1.00  0.00           C  
HETATM   33  N   UNL     1       5.284   2.434   0.301  1.00  0.00           N  
HETATM   34  C   UNL     1       6.491   2.698   0.754  1.00  0.00           C  
HETATM   35  N   UNL     1       7.222   1.799   1.388  1.00  0.00           N  
HETATM   36  C   UNL     1       6.764   0.572   1.611  1.00  0.00           C  
HETATM   37  N   UNL     1       7.537  -0.363   2.276  1.00  0.00           N  
HETATM   38  H   UNL     1      -5.864  -0.757  -0.250  1.00  0.00           H  
HETATM   39  H   UNL     1      -8.224  -0.458  -0.812  1.00  0.00           H  
HETATM   40  H   UNL     1      -9.398   1.612  -0.198  1.00  0.00           H  
HETATM   41  H   UNL     1      -8.220   3.411   0.985  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.625   4.041   2.047  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.337   2.933   2.213  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.463   0.471   1.831  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.608  -0.699   1.134  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.266   0.303  -1.109  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.121   1.473  -0.411  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.743  -1.994   0.285  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.413  -2.086  -1.461  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.050  -2.728  -0.947  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.449  -2.717   0.788  1.00  0.00           H  
HETATM   52  HA  UNL     1      -1.865  -4.437  -1.297  1.00  0.00           H  
HETATM   53  HXT UNL     1       1.260  -6.177  -1.138  1.00  0.00           H  
HETATM   54  H1  UNL     1      -2.769  -5.467   0.651  1.00  0.00           H  
HETATM   55  H2  UNL     1      -1.927  -4.438   1.651  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.030  -1.122  -1.883  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.282  -0.010  -2.486  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.300   1.821  -1.104  1.00  0.00           H  
HETATM   59  H   UNL     1       0.946   0.517  -3.401  1.00  0.00           H  
HETATM   60  H   UNL     1       1.413   2.814  -3.868  1.00  0.00           H  
HETATM   61  H   UNL     1       3.010   0.125  -2.350  1.00  0.00           H  
HETATM   62  H   UNL     1       3.491   2.122  -3.631  1.00  0.00           H  
HETATM   63  H   UNL     1       2.382   2.349  -0.328  1.00  0.00           H  
HETATM   64  H   UNL     1       2.782  -1.355   0.459  1.00  0.00           H  
HETATM   65  H   UNL     1       6.900   3.685   0.600  1.00  0.00           H  
HETATM   66  H   UNL     1       7.196  -1.259   2.423  1.00  0.00           H  
HETATM   67  H   UNL     1       8.421  -0.123   2.595  1.00  0.00           H  
CONECT    1    9    6    2    2                                       
CONECT    2    1    1    3   38                                       
CONECT    3    4    4    2   39                                       
CONECT    4    5    3    3   40                                       
CONECT    5    6    6    4   41                                       
CONECT    6    7    5    5    1                                       
CONECT    7    8    6   42                                            
CONECT    8    7    9    9   43                                       
CONECT    9    8    8   10    1                                       
CONECT   10   11    9   44   45                                       
CONECT   11   12   10   46   47                                       
CONECT   12   13   11   20                                            
CONECT   13   14   12   48   49                                       
CONECT   14   15   13   50   51                                       
CONECT   15   19   16   14   52                                       
CONECT   16   15   17   17   18                                       
CONECT   17   16   16                                                 
CONECT   18   16   53                                                 
CONECT   19   15   54   55                                            
CONECT   20   12   21   56   57                                       
CONECT   21   20   22   23   58                                       
CONECT   22   21   27                                                 
CONECT   23   21   24   25   59                                       
CONECT   24   23   60                                                 
CONECT   25   23   27   26   61                                       
CONECT   26   25   62                                                 
CONECT   27   22   25   28   63                                       
CONECT   28   27   32   29                                            
CONECT   29   28   30   30   64                                       
CONECT   30   29   29   31                                            
CONECT   31   32   30   36   36                                       
CONECT   32   33   33   28   31                                       
CONECT   33   32   32   34                                            
CONECT   34   33   35   35   65                                       
CONECT   35   34   34   36                                            
CONECT   36   31   31   35   37                                       
CONECT   37   36   66   67                                            
CONECT   38    2                                                      
CONECT   39    3                                                      
CONECT   40    4                                                      
CONECT   41    5                                                      
CONECT   42    7                                                      
CONECT   43    8                                                      
CONECT   44   10                                                      
CONECT   45   10                                                      
CONECT   46   11                                                      
CONECT   47   11                                                      
CONECT   48   13                                                      
CONECT   49   13                                                      
CONECT   50   14                                                      
CONECT   51   14                                                      
CONECT   52   15                                                      
CONECT   53   18                                                      
CONECT   54   19                                                      
CONECT   55   19                                                      
CONECT   56   20                                                      
CONECT   57   20                                                      
CONECT   58   21                                                      
CONECT   59   23                                                      
CONECT   60   24                                                      
CONECT   61   25                                                      
CONECT   62   26                                                      
CONECT   63   27                                                      
CONECT   64   29                                                      
CONECT   65   34                                                      
CONECT   66   37                                                      
CONECT   67   37                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
