COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.909   0.779   0.876  1.00  0.00           C  
HETATM    2  C   UNL     1       0.014  -1.633   1.671  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.622  -0.550  -0.848  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.201   1.240   0.699  1.00  0.00           C  
HETATM    5  C   UNL     1       3.050   1.219   0.201  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.940  -2.348  -2.371  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.168   2.545   0.082  1.00  0.00           C  
HETATM    8  C   UNL     1       4.398   1.051  -0.140  1.00  0.00           C  
HETATM    9  C   UNL     1       4.861  -0.224  -0.561  1.00  0.00           C  
HETATM   10  C   UNL     1       6.616   1.867  -0.431  1.00  0.00           C  
HETATM   11  C   UNL     1       5.323   2.110  -0.083  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.473  -0.342   0.195  1.00  0.00           C  
HETATM   13  CA  UNL     1      -0.065  -0.840   0.392  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.327  -1.007  -0.666  1.00  0.00           C  
HETATM   15  N   UNL     1       0.851   0.301   0.467  1.00  0.00           N  
HETATM   16  C   UNL     1       2.194   0.140   0.128  1.00  0.00           C  
HETATM   17  O   UNL     1       0.758  -1.280   2.555  1.00  0.00           O  
HETATM   18  OXT UNL     1      -0.743  -2.729   1.829  1.00  0.00           O  
HETATM   19  C   UNL     1      -4.062   0.576  -0.158  1.00  0.00           C  
HETATM   20  O   UNL     1      -4.461  -1.200  -1.698  1.00  0.00           O  
HETATM   21  C   UNL     1       2.660  -1.115  -0.283  1.00  0.00           C  
HETATM   22  O   UNL     1      -5.333   1.028  -0.333  1.00  0.00           O  
HETATM   23  C   UNL     1       3.961  -1.300  -0.631  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.716   2.189   0.407  1.00  0.00           C  
HETATM   25  N   UNL     1       7.022   0.666  -0.821  1.00  0.00           N  
HETATM   26  C   UNL     1       6.216  -0.367  -0.899  1.00  0.00           C  
HETATM   27  H   UNL     1      -1.238   1.298   1.544  1.00  0.00           H  
HETATM   28  H   UNL     1      -3.538   2.119   1.229  1.00  0.00           H  
HETATM   29  H   UNL     1       2.686   2.184   0.523  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.634  -3.093  -1.636  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.710  -2.771  -3.017  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.080  -2.057  -2.974  1.00  0.00           H  
HETATM   33  H   UNL     1      -7.262   2.747  -0.985  1.00  0.00           H  
HETATM   34  H   UNL     1      -7.816   1.711   0.353  1.00  0.00           H  
HETATM   35  H   UNL     1      -7.460   3.431   0.646  1.00  0.00           H  
HETATM   36  H   UNL     1       7.332   2.675  -0.390  1.00  0.00           H  
HETATM   37  H   UNL     1       5.013   3.095   0.232  1.00  0.00           H  
HETATM   38  HA  UNL     1       0.216  -1.477  -0.447  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.982  -1.881  -1.199  1.00  0.00           H  
HETATM   40  H   UNL     1       0.523   1.168   0.752  1.00  0.00           H  
HETATM   41  HXT UNL     1      -0.659  -3.205   2.667  1.00  0.00           H  
HETATM   42  H   UNL     1       1.972  -1.947  -0.334  1.00  0.00           H  
HETATM   43  H   UNL     1       4.305  -2.274  -0.947  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.068   3.023   0.136  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.621   1.987   1.474  1.00  0.00           H  
HETATM   46  H   UNL     1       6.594  -1.326  -1.222  1.00  0.00           H  
CONECT    1   12   12    4   27                                       
CONECT    2   17   17   18   13                                       
CONECT    3   20   14   14   19                                       
CONECT    4   19   19    1   28                                       
CONECT    5   16    8    8   29                                       
CONECT    6   20   30   31   32                                       
CONECT    7   24   33   34   35                                       
CONECT    8    5    5    9   11                                       
CONECT    9   23   23    8   26                                       
CONECT   10   11   11   25   36                                       
CONECT   11    8   10   10   37                                       
CONECT   12   14   13    1    1                                       
CONECT   13    2   15   12   38                                       
CONECT   14    3    3   12   39                                       
CONECT   15   13   16   40                                            
CONECT   16   15   21   21    5                                       
CONECT   17    2    2                                                 
CONECT   18    2   41                                                 
CONECT   19    3   22    4    4                                       
CONECT   20    6    3                                                 
CONECT   21   16   16   23   42                                       
CONECT   22   19   24                                                 
CONECT   23   21    9    9   43                                       
CONECT   24   22    7   44   45                                       
CONECT   25   26   26   10                                            
CONECT   26    9   25   25   46                                       
CONECT   27    1                                                      
CONECT   28    4                                                      
CONECT   29    5                                                      
CONECT   30    6                                                      
CONECT   31    6                                                      
CONECT   32    6                                                      
CONECT   33    7                                                      
CONECT   34    7                                                      
CONECT   35    7                                                      
CONECT   36   10                                                      
CONECT   37   11                                                      
CONECT   38   13                                                      
CONECT   39   14                                                      
CONECT   40   15                                                      
CONECT   41   18                                                      
CONECT   42   21                                                      
CONECT   43   23                                                      
CONECT   44   24                                                      
CONECT   45   24                                                      
CONECT   46   26                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
