COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.976  -0.031  -0.626  1.00  0.00           C  
HETATM    2  C   UNL     1       3.561   1.280   1.396  1.00  0.00           C  
HETATM    3  C   UNL     1       1.531   0.088  -0.215  1.00  0.00           C  
HETATM    4  C   UNL     1       7.481  -4.421  -0.182  1.00  0.00           C  
HETATM    5  C   UNL     1       6.940  -3.071  -0.657  1.00  0.00           C  
HETATM    6  C   UNL     1       5.523  -2.870  -0.115  1.00  0.00           C  
HETATM    7  C   UNL     1       4.982  -1.520  -0.589  1.00  0.00           C  
HETATM    8  C   UNL     1       3.566  -1.319  -0.047  1.00  0.00           C  
HETATM    9  C   UNL     1       3.758   1.171  -0.094  1.00  0.00           C  
HETATM   10  O   UNL     1       2.935   0.427   1.989  1.00  0.00           O  
HETATM   11  N   UNL     1       4.080   2.326   2.070  1.00  0.00           N  
HETATM   12  O   UNL     1       3.806   2.484   3.450  1.00  0.00           O  
HETATM   13  O   UNL     1       1.057  -0.702   0.573  1.00  0.00           O  
HETATM   14  N   UNL     1       0.765   1.074  -0.724  1.00  0.00           N  
HETATM   15  C   UNL     1       1.160   2.056  -1.775  1.00  0.00           C  
HETATM   16  C   UNL     1       1.264   3.418  -1.022  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.200   3.788  -0.688  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.033   2.595  -1.255  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.197   2.246  -2.538  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.631   1.386  -0.354  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.529   0.208  -0.630  1.00  0.00           C  
HETATM   22  O   UNL     1      -1.124  -0.720  -1.298  1.00  0.00           O  
HETATM   23  N   UNL     1      -2.782   0.185  -0.134  1.00  0.00           N  
HETATM   24  CA  UNL     1      -3.617  -1.006  -0.308  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.234  -0.990  -1.683  1.00  0.00           C  
HETATM   26  O   UNL     1      -4.000  -0.078  -2.440  1.00  0.00           O  
HETATM   27  OXT UNL     1      -5.043  -1.990  -2.067  1.00  0.00           O  
HETATM   28  C   UNL     1      -4.708  -1.011   0.732  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.351   0.166   1.065  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.354   0.161   2.016  1.00  0.00           C  
HETATM   31  C   UNL     1      -6.716  -1.023   2.632  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.074  -2.201   2.297  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.069  -2.195   1.348  1.00  0.00           C  
HETATM   34  H   UNL     1       3.044  -0.057  -1.713  1.00  0.00           H  
HETATM   35  H   UNL     1       7.503  -4.441   0.907  1.00  0.00           H  
HETATM   36  H   UNL     1       6.835  -5.220  -0.548  1.00  0.00           H  
HETATM   37  H   UNL     1       8.490  -4.564  -0.568  1.00  0.00           H  
HETATM   38  H   UNL     1       7.585  -2.272  -0.292  1.00  0.00           H  
HETATM   39  H   UNL     1       6.918  -3.051  -1.747  1.00  0.00           H  
HETATM   40  H   UNL     1       4.878  -3.669  -0.480  1.00  0.00           H  
HETATM   41  H   UNL     1       5.545  -2.890   0.975  1.00  0.00           H  
HETATM   42  H   UNL     1       5.628  -0.721  -0.224  1.00  0.00           H  
HETATM   43  H   UNL     1       4.960  -1.500  -1.679  1.00  0.00           H  
HETATM   44  H   UNL     1       3.599  -1.247   1.040  1.00  0.00           H  
HETATM   45  H   UNL     1       2.943  -2.166  -0.336  1.00  0.00           H  
HETATM   46  H   UNL     1       4.818   1.040  -0.311  1.00  0.00           H  
HETATM   47  H   UNL     1       3.398   2.080  -0.576  1.00  0.00           H  
HETATM   48  H   UNL     1       4.640   2.969   1.610  1.00  0.00           H  
HETATM   49  H   UNL     1       4.221   3.263   3.847  1.00  0.00           H  
HETATM   50  H   UNL     1       2.026   1.781  -2.378  1.00  0.00           H  
HETATM   51  H   UNL     1       1.846   3.303  -0.108  1.00  0.00           H  
HETATM   52  H   UNL     1       1.712   4.174  -1.666  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.336   3.870   0.390  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.480   4.719  -1.180  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.099   2.774  -1.397  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.160   3.076  -3.244  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.536   1.324  -3.012  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.684   1.665   0.698  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.131   0.957   0.338  1.00  0.00           H  
HETATM   60  HA  UNL     1      -3.003  -1.900  -0.196  1.00  0.00           H  
HETATM   61  HXT UNL     1      -5.416  -1.936  -2.958  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.068   1.091   0.584  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.856   1.081   2.277  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.500  -1.027   3.375  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.357  -3.125   2.779  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.570  -3.115   1.084  1.00  0.00           H  
CONECT    1    3    8    9   34                                       
CONECT    2    9   11   10   10                                       
CONECT    3   13   13   14    1                                       
CONECT    4    5   35   36   37                                       
CONECT    5    6    4   38   39                                       
CONECT    6    7    5   40   41                                       
CONECT    7    8    6   42   43                                       
CONECT    8    7    1   44   45                                       
CONECT    9    1    2   46   47                                       
CONECT   10    2    2                                                 
CONECT   11    2   12   48                                            
CONECT   12   11   49                                                 
CONECT   13    3    3                                                 
CONECT   14   20    3   15                                            
CONECT   15   14   19   16   50                                       
CONECT   16   15   17   51   52                                       
CONECT   17   18   16   53   54                                       
CONECT   18   20   19   17   55                                       
CONECT   19   18   15   56   57                                       
CONECT   20   21   18   14   58                                       
CONECT   21   23   22   22   20                                       
CONECT   22   21   21                                                 
CONECT   23   24   21   59                                            
CONECT   24   28   25   23   60                                       
CONECT   25   26   26   24   27                                       
CONECT   26   25   25                                                 
CONECT   27   25   61                                                 
CONECT   28   29   29   33   24                                       
CONECT   29   30   28   28   62                                       
CONECT   30   31   31   29   63                                       
CONECT   31   30   30   32   64                                       
CONECT   32   31   33   33   65                                       
CONECT   33   32   32   28   66                                       
CONECT   34    1                                                      
CONECT   35    4                                                      
CONECT   36    4                                                      
CONECT   37    4                                                      
CONECT   38    5                                                      
CONECT   39    5                                                      
CONECT   40    6                                                      
CONECT   41    6                                                      
CONECT   42    7                                                      
CONECT   43    7                                                      
CONECT   44    8                                                      
CONECT   45    8                                                      
CONECT   46    9                                                      
CONECT   47    9                                                      
CONECT   48   11                                                      
CONECT   49   12                                                      
CONECT   50   15                                                      
CONECT   51   16                                                      
CONECT   52   16                                                      
CONECT   53   17                                                      
CONECT   54   17                                                      
CONECT   55   18                                                      
CONECT   56   19                                                      
CONECT   57   19                                                      
CONECT   58   20                                                      
CONECT   59   23                                                      
CONECT   60   24                                                      
CONECT   61   27                                                      
CONECT   62   29                                                      
CONECT   63   30                                                      
CONECT   64   31                                                      
CONECT   65   32                                                      
CONECT   66   33                                                      
MASTER        0    0    0    0    0    0    0    0   66    0   66    0
END
