COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.619  -0.225   1.323  1.00  0.00           C  
HETATM    2  N   UNL     1       5.394   0.196   1.089  1.00  0.00           N  
HETATM    3  C   UNL     1       4.584  -0.488   0.289  1.00  0.00           C  
HETATM    4  C   UNL     1       2.387   0.768   0.204  1.00  0.00           C  
HETATM    5  C   UNL     1       2.566   1.949  -0.775  1.00  0.00           C  
HETATM    6  C   UNL     1       1.135   2.498  -0.966  1.00  0.00           C  
HETATM    7  C   UNL     1       0.260   1.584  -0.079  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.087   1.319  -0.754  1.00  0.00           C  
HETATM    9  O   UNL     1      -8.072  -1.236   0.629  1.00  0.00           O  
HETATM   10  C   UNL     1      -7.152  -1.728   0.020  1.00  0.00           C  
HETATM   11  OXT UNL     1      -7.009  -3.062  -0.017  1.00  0.00           O  
HETATM   12  CA  UNL     1      -6.165  -0.845  -0.698  1.00  0.00           C  
HETATM   13  N   UNL     1      -6.765   0.478  -0.923  1.00  0.00           N  
HETATM   14  C   UNL     1      -4.902  -0.694   0.152  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.852   0.099  -0.630  1.00  0.00           C  
HETATM   16 SE   UNL     1      -2.234   0.291   0.459  1.00  0.00          Se1+
HETATM   17  C   UNL     1      -2.793   1.686   1.717  1.00  0.00           C  
HETATM   18  O   UNL     1       1.013   0.357   0.040  1.00  0.00           O  
HETATM   19  O   UNL     1       1.055   3.855  -0.522  1.00  0.00           O  
HETATM   20  O   UNL     1       3.414   2.948  -0.204  1.00  0.00           O  
HETATM   21  N   UNL     1       3.293  -0.329  -0.148  1.00  0.00           N  
HETATM   22  C   UNL     1       3.008  -1.377  -0.972  1.00  0.00           C  
HETATM   23  N   UNL     1       4.041  -2.163  -1.064  1.00  0.00           N  
HETATM   24  C   UNL     1       5.051  -1.671  -0.308  1.00  0.00           C  
HETATM   25  N   UNL     1       7.105  -1.328   0.782  1.00  0.00           N  
HETATM   26  C   UNL     1       6.367  -2.079  -0.029  1.00  0.00           C  
HETATM   27  N   UNL     1       6.882  -3.236  -0.587  1.00  0.00           N  
HETATM   28  H   UNL     1       7.253   0.354   1.978  1.00  0.00           H  
HETATM   29  H   UNL     1       2.566   1.094   1.229  1.00  0.00           H  
HETATM   30  H   UNL     1       2.971   1.600  -1.724  1.00  0.00           H  
HETATM   31  H   UNL     1       0.832   2.421  -2.010  1.00  0.00           H  
HETATM   32  H   UNL     1       0.111   2.036   0.901  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.568   2.268  -0.991  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.929   0.753  -1.672  1.00  0.00           H  
HETATM   35  HXT UNL     1      -7.666  -3.588   0.459  1.00  0.00           H  
HETATM   36  HA  UNL     1      -5.906  -1.293  -1.658  1.00  0.00           H  
HETATM   37  H1  UNL     1      -7.564   0.413  -1.535  1.00  0.00           H  
HETATM   38  H2  UNL     1      -7.013   0.915  -0.048  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.145  -0.165   1.073  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.506  -1.681   0.392  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.609  -0.430  -1.552  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.248   1.086  -0.871  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.324   2.471   1.177  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.453   1.254   2.469  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.915   2.110   2.203  1.00  0.00           H  
HETATM   46  H   UNL     1       1.631   4.461  -1.007  1.00  0.00           H  
HETATM   47  H   UNL     1       3.560   3.714  -0.777  1.00  0.00           H  
HETATM   48  H   UNL     1       2.064  -1.532  -1.473  1.00  0.00           H  
HETATM   49  H   UNL     1       6.334  -3.775  -1.178  1.00  0.00           H  
HETATM   50  H   UNL     1       7.792  -3.507  -0.386  1.00  0.00           H  
CONECT    1   25   25    2   28                                       
CONECT    2    1    3    3                                            
CONECT    3    2    2   24   21                                       
CONECT    4   21   18    5   29                                       
CONECT    5    4   20    6   30                                       
CONECT    6    5    7   19   31                                       
CONECT    7    6   18    8   32                                       
CONECT    8    7   33   34   16                                       
CONECT    9   10   10                                                 
CONECT   10    9    9   12   11                                       
CONECT   11   10   35                                                 
CONECT   12   10   14   13   36                                       
CONECT   13   12   37   38                                            
CONECT   14   12   15   39   40                                       
CONECT   15   14   16   41   42                                       
CONECT   16    8   15   17                                            
CONECT   17   16   43   44   45                                       
CONECT   18    4    7                                                 
CONECT   19    6   46                                                 
CONECT   20    5   47                                                 
CONECT   21    3    4   22                                            
CONECT   22   21   23   23   48                                       
CONECT   23   22   22   24                                            
CONECT   24    3   23   26   26                                       
CONECT   25    1    1   26                                            
CONECT   26   24   24   25   27                                       
CONECT   27   26   49   50                                            
CONECT   28    1                                                      
CONECT   29    4                                                      
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32    7                                                      
CONECT   33    8                                                      
CONECT   34    8                                                      
CONECT   35   11                                                      
CONECT   36   12                                                      
CONECT   37   13                                                      
CONECT   38   13                                                      
CONECT   39   14                                                      
CONECT   40   14                                                      
CONECT   41   15                                                      
CONECT   42   15                                                      
CONECT   43   17                                                      
CONECT   44   17                                                      
CONECT   45   17                                                      
CONECT   46   19                                                      
CONECT   47   20                                                      
CONECT   48   22                                                      
CONECT   49   27                                                      
CONECT   50   27                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
