COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       4.236  -3.163  -0.426  1.00  0.00           O  
HETATM    2  C   UNL     1       4.562  -1.993  -0.450  1.00  0.00           C  
HETATM    3  OXT UNL     1       5.838  -1.655  -0.716  1.00  0.00           O  
HETATM    4  CA  UNL     1       3.554  -0.938  -0.193  1.00  0.00           C  
HETATM    5  C   UNL     1       2.234  -1.297   0.076  1.00  0.00           C  
HETATM    6  N   UNL     1       3.919   0.335  -0.215  1.00  0.00           N  
HETATM    7  CA  UNL     1       3.053   1.311   0.009  1.00  0.00           C  
HETATM    8  C   UNL     1       3.511   2.719  -0.028  1.00  0.00           C  
HETATM    9  O   UNL     1       4.802   3.000  -0.288  1.00  0.00           O  
HETATM   10  OXT UNL     1       2.723   3.620   0.177  1.00  0.00           O  
HETATM   11  C   UNL     1       1.714   1.028   0.279  1.00  0.00           C  
HETATM   12  C   UNL     1       1.294  -0.298   0.317  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.041  -0.621   0.590  1.00  0.00           N  
HETATM   14  C   UNL     1      -1.058   0.252   0.842  1.00  0.00           C  
HETATM   15  N   UNL     1      -0.601  -1.906   0.652  1.00  0.00           N  
HETATM   16  N   UNL     1      -1.853  -1.782   0.928  1.00  0.00           N  
HETATM   17  C   UNL     1      -2.166  -0.491   1.050  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.536   0.052   1.365  1.00  0.00           C  
HETATM   19  N   UNL     1      -4.313   0.169   0.124  1.00  0.00           N1+
HETATM   20  C   UNL     1      -3.626   1.081  -0.800  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.442  -1.155  -0.500  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.649   0.698   0.431  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.415   0.936  -0.872  1.00  0.00           C  
HETATM   24  O   UNL     1      -6.694  -0.319  -1.496  1.00  0.00           O  
HETATM   25  H   UNL     1       1.943  -2.337   0.097  1.00  0.00           H  
HETATM   26  H   UNL     1       1.012   1.829   0.460  1.00  0.00           H  
HETATM   27  H   UNL     1       5.054   3.934  -0.301  1.00  0.00           H  
HETATM   28  H   UNL     1      -0.990   1.329   0.870  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.046  -0.625   2.050  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.440   1.034   1.828  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.635   0.689  -1.028  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.203   1.169  -1.721  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.530   2.063  -0.337  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.089  -1.783   0.111  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.875  -1.046  -1.495  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.458  -1.616  -0.581  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.192  -0.021   1.046  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.551   1.639   0.973  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.351   1.450  -0.654  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.812   1.549  -1.541  1.00  0.00           H  
HETATM   41  HXT UNL     1       6.458  -2.378  -0.881  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.179  -0.244  -2.330  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    4                                       
CONECT    3    2   41                                                 
CONECT    4    2    5    6    6                                       
CONECT    5    4   12   12   25                                       
CONECT    6    4    4    7                                            
CONECT    7    6    8   11   11                                       
CONECT    8    7    9   10   10                                       
CONECT    9    8   27                                                 
CONECT   10    8    8                                                 
CONECT   11    7    7   12   26                                       
CONECT   12    5    5   11   13                                       
CONECT   13   12   14   15                                            
CONECT   14   13   17   17   28                                       
CONECT   15   13   16   16                                            
CONECT   16   15   15   17                                            
CONECT   17   14   14   16   18                                       
CONECT   18   17   19   29   30                                       
CONECT   19   18   20   21   22                                       
CONECT   20   19   31   32   33                                       
CONECT   21   19   34   35   36                                       
CONECT   22   19   23   37   38                                       
CONECT   23   22   24   39   40                                       
CONECT   24   23   42                                                 
CONECT   25    5                                                      
CONECT   26   11                                                      
CONECT   27    9                                                      
CONECT   28   14                                                      
CONECT   29   18                                                      
CONECT   30   18                                                      
CONECT   31   20                                                      
CONECT   32   20                                                      
CONECT   33   20                                                      
CONECT   34   21                                                      
CONECT   35   21                                                      
CONECT   36   21                                                      
CONECT   37   22                                                      
CONECT   38   22                                                      
CONECT   39   23                                                      
CONECT   40   23                                                      
CONECT   41    3                                                      
CONECT   42   24                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
