COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.609   1.842  -1.511  1.00  0.00           C  
HETATM    2  N   UNL     1       0.700   0.126  -0.400  1.00  0.00           N  
HETATM    3  O   UNL     1       0.211   2.612  -1.072  1.00  0.00           O  
HETATM    4  CA  UNL     1      -0.490   0.368  -1.221  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.734  -0.107  -0.468  1.00  0.00           C  
HETATM    6  C   UNL     1       4.319   3.133   0.535  1.00  0.00           C  
HETATM    7  C   UNL     1       3.213  -3.934   0.061  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.648   1.950   1.247  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.246  -0.396   2.057  1.00  0.00           C  
HETATM   10  O   UNL     1      -5.931  -1.527   0.093  1.00  0.00           O  
HETATM   11  O   UNL     1       2.004   0.043  -2.197  1.00  0.00           O  
HETATM   12  OXT UNL     1      -3.949  -2.227  -0.588  1.00  0.00           O  
HETATM   13  C   UNL     1       5.354  -0.723   1.396  1.00  0.00           C  
HETATM   14  C   UNL     1       4.982   0.574   1.090  1.00  0.00           C  
HETATM   15  C   UNL     1       4.612  -1.793   0.932  1.00  0.00           C  
HETATM   16  N   UNL     1      -2.968   0.122  -1.271  1.00  0.00           N  
HETATM   17  O   UNL     1       3.497   2.086   0.016  1.00  0.00           O  
HETATM   18  O   UNL     1       2.759  -2.628  -0.300  1.00  0.00           O  
HETATM   19  S   UNL     1      -2.070   0.958   0.996  1.00  0.00           S  
HETATM   20  C   UNL     1      -4.671  -1.299  -0.310  1.00  0.00           C  
HETATM   21  C   UNL     1       1.904  -0.023  -0.986  1.00  0.00           C  
HETATM   22  C   UNL     1       3.859   0.813   0.315  1.00  0.00           C  
HETATM   23  C   UNL     1       3.486  -1.576   0.154  1.00  0.00           C  
HETATM   24  C   UNL     1       3.099  -0.265  -0.161  1.00  0.00           C  
HETATM   25  CA  UNL     1      -4.158   0.114  -0.416  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.881   0.649   1.002  1.00  0.00           C  
HETATM   27  H   UNL     1      -1.431   2.210  -2.107  1.00  0.00           H  
HETATM   28  H   UNL     1       0.620   0.074   0.565  1.00  0.00           H  
HETATM   29  HA  UNL     1      -0.401  -0.181  -2.159  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.641  -1.154  -0.180  1.00  0.00           H  
HETATM   31  H   UNL     1       3.919   4.098   0.223  1.00  0.00           H  
HETATM   32  H   UNL     1       4.332   3.080   1.624  1.00  0.00           H  
HETATM   33  H   UNL     1       5.334   3.021   0.154  1.00  0.00           H  
HETATM   34  H   UNL     1       4.222  -4.087  -0.322  1.00  0.00           H  
HETATM   35  H   UNL     1       3.219  -4.029   1.147  1.00  0.00           H  
HETATM   36  H   UNL     1       2.545  -4.682  -0.366  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.406   2.334   2.238  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.366   2.685   0.493  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.719   1.757   1.183  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.313  -0.612   2.002  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.681  -1.310   1.874  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.004  -0.012   3.048  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.215  -2.450   0.146  1.00  0.00           H  
HETATM   44  H   UNL     1       6.233  -0.900   1.997  1.00  0.00           H  
HETATM   45  H   UNL     1       5.569   1.402   1.458  1.00  0.00           H  
HETATM   46  H   UNL     1       4.911  -2.801   1.176  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.904   0.982  -1.794  1.00  0.00           H  
HETATM   48  HA  UNL     1      -4.927   0.733  -0.878  1.00  0.00           H  
CONECT    1    3    3    4   27                                       
CONECT    2   21    4   28                                            
CONECT    3    1    1                                                 
CONECT    4    1    2    5   29                                       
CONECT    5    4   19   16   30                                       
CONECT    6   17   31   32   33                                       
CONECT    7   18   34   35   36                                       
CONECT    8   26   37   38   39                                       
CONECT    9   26   40   41   42                                       
CONECT   10   20   43                                                 
CONECT   11   21   21                                                 
CONECT   12   20   20                                                 
CONECT   13   15   15   14   44                                       
CONECT   14   13   22   22   45                                       
CONECT   15   13   13   23   46                                       
CONECT   16    5   25   47                                            
CONECT   17    6   22                                                 
CONECT   18    7   23                                                 
CONECT   19    5   26                                                 
CONECT   20   10   12   12   25                                       
CONECT   21    2   11   11   24                                       
CONECT   22   14   14   17   24                                       
CONECT   23   15   18   24   24                                       
CONECT   24   21   22   23   23                                       
CONECT   25   16   20   26   48                                       
CONECT   26    8    9   19   25                                       
CONECT   27    1                                                      
CONECT   28    2                                                      
CONECT   29    4                                                      
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32    6                                                      
CONECT   33    6                                                      
CONECT   34    7                                                      
CONECT   35    7                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38    8                                                      
CONECT   39    8                                                      
CONECT   40    9                                                      
CONECT   41    9                                                      
CONECT   42    9                                                      
CONECT   43   10                                                      
CONECT   44   13                                                      
CONECT   45   14                                                      
CONECT   46   15                                                      
CONECT   47   16                                                      
CONECT   48   25                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
