COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1       7.338  -0.129   0.717  1.00  0.00           C  
HETATM    2  O   UNL     1       5.708   1.197  -0.705  1.00  0.00           O  
HETATM    3  C   UNL     1       5.993   0.166   0.106  1.00  0.00           C  
HETATM    4  O   UNL     1       1.645   0.240   0.444  1.00  0.00           O  
HETATM    5  C   UNL     1       4.873  -0.559   0.280  1.00  0.00           C  
HETATM    6  C   UNL     1       3.855   0.072  -0.470  1.00  0.00           C  
HETATM    7  C   UNL     1       4.413   1.146  -1.058  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.379  -0.664   0.551  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.674   2.398  -0.687  1.00  0.00           C  
HETATM   10  N   UNL     1      -4.506   1.352   0.331  1.00  0.00           N  
HETATM   11  CA  UNL     1      -4.620   0.014  -0.266  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.849  -0.993   0.589  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.840   0.197   1.489  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.493   0.501   1.456  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.571  -1.227  -0.420  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.223  -0.926  -0.457  1.00  0.00           C  
HETATM   17  C   UNL     1       0.319  -0.058   0.480  1.00  0.00           C  
HETATM   18  C   UNL     1       2.420  -0.372  -0.588  1.00  0.00           C  
HETATM   19  N   UNL     1       8.105  -0.999  -0.184  1.00  0.00           N  
HETATM   20  C   UNL     1      -6.072  -0.386  -0.327  1.00  0.00           C  
HETATM   21  O   UNL     1      -6.861   0.079   0.461  1.00  0.00           O  
HETATM   22  OXT UNL     1      -6.488  -1.260  -1.258  1.00  0.00           O  
HETATM   23  H   UNL     1       7.880   0.804   0.871  1.00  0.00           H  
HETATM   24  H   UNL     1       7.200  -0.631   1.675  1.00  0.00           H  
HETATM   25  H   UNL     1       4.772  -1.453   0.878  1.00  0.00           H  
HETATM   26  H   UNL     1       3.905   1.847  -1.703  1.00  0.00           H  
HETATM   27  H   UNL     1      -3.858   2.340  -1.406  1.00  0.00           H  
HETATM   28  H   UNL     1      -5.624   2.254  -1.202  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.667   3.376  -0.207  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.628   1.457   0.816  1.00  0.00           H  
HETATM   31  HA  UNL     1      -4.205   0.029  -1.273  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.007  -1.998   0.198  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.206  -0.944   1.618  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.473   0.632   2.249  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.072   1.173   2.189  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.994  -1.902  -1.149  1.00  0.00           H  
HETATM   37  H   UNL     1       0.408  -1.365  -1.216  1.00  0.00           H  
HETATM   38  H   UNL     1       2.366  -1.456  -0.489  1.00  0.00           H  
HETATM   39  H   UNL     1       2.027  -0.076  -1.561  1.00  0.00           H  
HETATM   40  H   UNL     1       8.192  -0.584  -1.100  1.00  0.00           H  
HETATM   41  H   UNL     1       9.012  -1.211   0.203  1.00  0.00           H  
HETATM   42  HXT UNL     1      -7.429  -1.486  -1.258  1.00  0.00           H  
CONECT    1   19    3   23   24                                       
CONECT    2    7    3                                                 
CONECT    3    2    1    5    5                                       
CONECT    4   18   17                                                 
CONECT    5    3    3    6   25                                       
CONECT    6    7    7    5   18                                       
CONECT    7    2    6    6   26                                       
CONECT    8   13   13   15   12                                       
CONECT    9   10   27   28   29                                       
CONECT   10    9   11   30                                            
CONECT   11   12   10   20   31                                       
CONECT   12    8   11   32   33                                       
CONECT   13   14    8    8   34                                       
CONECT   14   17   17   13   35                                       
CONECT   15   16   16    8   36                                       
CONECT   16   17   15   15   37                                       
CONECT   17    4   14   14   16                                       
CONECT   18    6    4   38   39                                       
CONECT   19    1   40   41                                            
CONECT   20   11   21   21   22                                       
CONECT   21   20   20                                                 
CONECT   22   20   42                                                 
CONECT   23    1                                                      
CONECT   24    1                                                      
CONECT   25    5                                                      
CONECT   26    7                                                      
CONECT   27    9                                                      
CONECT   28    9                                                      
CONECT   29    9                                                      
CONECT   30   10                                                      
CONECT   31   11                                                      
CONECT   32   12                                                      
CONECT   33   12                                                      
CONECT   34   13                                                      
CONECT   35   14                                                      
CONECT   36   15                                                      
CONECT   37   16                                                      
CONECT   38   18                                                      
CONECT   39   18                                                      
CONECT   40   19                                                      
CONECT   41   19                                                      
CONECT   42   22                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
