COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.885  -1.923  -0.303  1.00  0.00           C  
HETATM    2  N   UNL     1       1.485  -1.544  -0.096  1.00  0.00           N  
HETATM    3  N   UNL     1       0.555  -2.431  -0.201  1.00  0.00           N1+
HETATM    4  C   UNL     1       4.273  -0.406   1.125  1.00  0.00           C  
HETATM    5  C   UNL     1       5.084   0.700   1.289  1.00  0.00           C  
HETATM    6  C   UNL     1       5.389   1.503   0.200  1.00  0.00           C  
HETATM    7  C   UNL     1       4.879   1.194  -1.052  1.00  0.00           C  
HETATM    8  C   UNL     1       4.068   0.087  -1.212  1.00  0.00           C  
HETATM    9  C   UNL     1       3.765  -0.712  -0.124  1.00  0.00           C  
HETATM   10  O   UNL     1       6.187   2.592   0.360  1.00  0.00           O  
HETATM   11  O   UNL     1      -4.539  -1.040   0.542  1.00  0.00           O  
HETATM   12  N   UNL     1      -1.883   1.854  -1.326  1.00  0.00           N  
HETATM   13  CA  UNL     1      -3.066   1.767  -0.460  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.539   3.155  -0.115  1.00  0.00           C  
HETATM   15  O   UNL     1      -2.785   4.094  -0.222  1.00  0.00           O  
HETATM   16  C   UNL     1      -2.705   1.017   0.823  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.350  -0.409   0.489  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.374  -1.373   0.371  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.055  -0.749   0.301  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.073  -2.708   0.060  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.713  -2.088  -0.014  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.777  -3.089  -0.132  1.00  0.00           C  
HETATM   23  O   UNL     1      -1.478  -4.376  -0.432  1.00  0.00           O1-
HETATM   24  OXT UNL     1      -4.796   3.349   0.312  1.00  0.00           O  
HETATM   25  H   UNL     1       3.166  -2.686   0.423  1.00  0.00           H  
HETATM   26  H   UNL     1       3.010  -2.317  -1.311  1.00  0.00           H  
HETATM   27  H   UNL     1       1.258  -0.626   0.119  1.00  0.00           H  
HETATM   28  H   UNL     1       4.038  -1.034   1.971  1.00  0.00           H  
HETATM   29  H   UNL     1       5.480   0.939   2.265  1.00  0.00           H  
HETATM   30  H   UNL     1       5.115   1.818  -1.901  1.00  0.00           H  
HETATM   31  H   UNL     1       3.670  -0.155  -2.186  1.00  0.00           H  
HETATM   32  H   UNL     1       7.129   2.411   0.239  1.00  0.00           H  
HETATM   33  H1  UNL     1      -2.111   2.288  -2.208  1.00  0.00           H  
HETATM   34  H2  UNL     1      -1.132   2.345  -0.864  1.00  0.00           H  
HETATM   35  HA  UNL     1      -3.860   1.232  -0.982  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.853   1.501   1.300  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.557   1.029   1.503  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.281   0.000   0.390  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.868  -3.435  -0.027  1.00  0.00           H  
HETATM   40  HXT UNL     1      -5.053   4.258   0.522  1.00  0.00           H  
HETATM   41  H   UNL     1       0.782  -3.349  -0.417  1.00  0.00           H  
CONECT    1    9    2   25   26                                       
CONECT    2    1    3   27                                            
CONECT    3   21   21    2   41                                       
CONECT    4    5    9    9   28                                       
CONECT    5    6    6    4   29                                       
CONECT    6   10    5    5    7                                       
CONECT    7    6    8    8   30                                       
CONECT    8    7    7    9   31                                       
CONECT    9    4    4    8    1                                       
CONECT   10    6   32                                                 
CONECT   11   18   18                                                 
CONECT   12   13   33   34                                            
CONECT   13   12   14   16   35                                       
CONECT   14   13   15   15   24                                       
CONECT   15   14   14                                                 
CONECT   16   13   17   36   37                                       
CONECT   17   18   19   19   16                                       
CONECT   18   20   11   11   17                                       
CONECT   19   21   17   17   38                                       
CONECT   20   22   22   18   39                                       
CONECT   21   22    3    3   19                                       
CONECT   22   23   20   20   21                                       
CONECT   23   22                                                      
CONECT   24   14   40                                                 
CONECT   25    1                                                      
CONECT   26    1                                                      
CONECT   27    2                                                      
CONECT   28    4                                                      
CONECT   29    5                                                      
CONECT   30    7                                                      
CONECT   31    8                                                      
CONECT   32   10                                                      
CONECT   33   12                                                      
CONECT   34   12                                                      
CONECT   35   13                                                      
CONECT   36   16                                                      
CONECT   37   16                                                      
CONECT   38   19                                                      
CONECT   39   20                                                      
CONECT   40   24                                                      
CONECT   41    3                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
