COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  CG1 UNL     1      -2.214   3.631   0.330  1.00  0.00           C  
HETATM    2  CB  UNL     1      -0.824   3.391  -0.261  1.00  0.00           C  
HETATM    3  CG2 UNL     1       0.176   4.355   0.380  1.00  0.00           C  
HETATM    4  CA  UNL     1      -0.393   1.949   0.017  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.446   1.001  -0.494  1.00  0.00           C  
HETATM    6  O   UNL     1      -2.137   1.297  -1.446  1.00  0.00           O  
HETATM    7  N   UNL     1      -1.606  -0.203   0.140  1.00  0.00           N  
HETATM    8  CA  UNL     1      -2.682  -1.057  -0.424  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.955  -0.850   0.356  1.00  0.00           C  
HETATM   10  O   UNL     1      -3.913  -0.383   1.469  1.00  0.00           O  
HETATM   11  OXT UNL     1      -5.137  -1.185  -0.187  1.00  0.00           O  
HETATM   12  C   UNL     1      -2.242  -2.519  -0.314  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.745  -2.575  -0.143  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.181  -2.308   1.090  1.00  0.00           C  
HETATM   15  C   UNL     1       1.191  -2.351   1.248  1.00  0.00           C  
HETATM   16  C   UNL     1       0.061  -2.890  -1.221  1.00  0.00           C  
HETATM   17  C   UNL     1       1.433  -2.935  -1.069  1.00  0.00           C  
HETATM   18  C   UNL     1       2.003  -2.662   0.167  1.00  0.00           C  
HETATM   19  O   UNL     1       3.353  -2.696   0.316  1.00  0.00           O  
HETATM   20  C   UNL     1       3.993  -1.481   0.712  1.00  0.00           C  
HETATM   21  C   UNL     1       3.944  -0.478  -0.443  1.00  0.00           C  
HETATM   22  C   UNL     1       4.149   0.937   0.102  1.00  0.00           C  
HETATM   23  C   UNL     1       3.342   1.928  -0.739  1.00  0.00           C  
HETATM   24  C   UNL     1       2.004   2.167  -0.089  1.00  0.00           C  
HETATM   25  O   UNL     1       1.928   2.794   0.947  1.00  0.00           O  
HETATM   26  N   UNL     1       0.881   1.671  -0.679  1.00  0.00           N  
HETATM   27 HG11 UNL     1      -2.521   4.658   0.132  1.00  0.00           H  
HETATM   28 HG12 UNL     1      -2.927   2.944  -0.127  1.00  0.00           H  
HETATM   29 HG13 UNL     1      -2.185   3.462   1.406  1.00  0.00           H  
HETATM   30  HB  UNL     1      -0.853   3.560  -1.338  1.00  0.00           H  
HETATM   31 HG21 UNL     1       0.307   4.097   1.431  1.00  0.00           H  
HETATM   32 HG22 UNL     1       1.135   4.279  -0.134  1.00  0.00           H  
HETATM   33 HG23 UNL     1      -0.199   5.375   0.300  1.00  0.00           H  
HETATM   34  HA  UNL     1      -0.264   1.808   1.090  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.061  -0.475   0.894  1.00  0.00           H  
HETATM   36  HA  UNL     1      -2.846  -0.799  -1.470  1.00  0.00           H  
HETATM   37  HXT UNL     1      -5.926  -1.034   0.352  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.724  -2.981   0.547  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.525  -3.053  -1.221  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.813  -2.066   1.932  1.00  0.00           H  
HETATM   41  H   UNL     1       1.631  -2.143   2.212  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.382  -3.102  -2.183  1.00  0.00           H  
HETATM   43  H   UNL     1       2.063  -3.183  -1.911  1.00  0.00           H  
HETATM   44  H   UNL     1       3.477  -1.064   1.577  1.00  0.00           H  
HETATM   45  H   UNL     1       5.031  -1.685   0.972  1.00  0.00           H  
HETATM   46  H   UNL     1       4.733  -0.709  -1.158  1.00  0.00           H  
HETATM   47  H   UNL     1       2.975  -0.540  -0.937  1.00  0.00           H  
HETATM   48  H   UNL     1       3.811   0.980   1.138  1.00  0.00           H  
HETATM   49  H   UNL     1       5.207   1.196   0.054  1.00  0.00           H  
HETATM   50  H   UNL     1       3.885   2.871  -0.810  1.00  0.00           H  
HETATM   51  H   UNL     1       3.192   1.519  -1.738  1.00  0.00           H  
HETATM   52  H   UNL     1       0.915   1.164  -1.506  1.00  0.00           H  
CONECT    1    2   27   28   29                                       
CONECT    2    1    3    4   30                                       
CONECT    3    2   31   32   33                                       
CONECT    4    2    5   26   34                                       
CONECT    5    4    6    6    7                                       
CONECT    6    5    5                                                 
CONECT    7    5    8   35                                            
CONECT    8    7    9   12   36                                       
CONECT    9    8   10   10   11                                       
CONECT   10    9    9                                                 
CONECT   11    9   37                                                 
CONECT   12    8   13   38   39                                       
CONECT   13   12   14   14   16                                       
CONECT   14   13   13   15   40                                       
CONECT   15   14   18   18   41                                       
CONECT   16   13   17   17   42                                       
CONECT   17   16   16   18   43                                       
CONECT   18   15   15   17   19                                       
CONECT   19   18   20                                                 
CONECT   20   19   21   44   45                                       
CONECT   21   20   22   46   47                                       
CONECT   22   21   23   48   49                                       
CONECT   23   22   24   50   51                                       
CONECT   24   23   25   25   26                                       
CONECT   25   24   24                                                 
CONECT   26    4   24   52                                            
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    2                                                      
CONECT   31    3                                                      
CONECT   32    3                                                      
CONECT   33    3                                                      
CONECT   34    4                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37   11                                                      
CONECT   38   12                                                      
CONECT   39   12                                                      
CONECT   40   14                                                      
CONECT   41   15                                                      
CONECT   42   16                                                      
CONECT   43   17                                                      
CONECT   44   20                                                      
CONECT   45   20                                                      
CONECT   46   21                                                      
CONECT   47   21                                                      
CONECT   48   22                                                      
CONECT   49   22                                                      
CONECT   50   23                                                      
CONECT   51   23                                                      
CONECT   52   26                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
