COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.299   0.576  -4.598  1.00  0.00           C  
HETATM    2  C   UNL     1       0.071   0.546  -3.720  1.00  0.00           C  
HETATM    3  C   UNL     1       1.611   0.110   2.614  1.00  0.00           C  
HETATM    4  N   UNL     1      -0.794  -0.023  -0.637  1.00  0.00           N  
HETATM    5  C   UNL     1      -0.176   0.482   4.332  1.00  0.00           C  
HETATM    6  N   UNL     1      -0.701  -0.798   2.345  1.00  0.00           N  
HETATM    7  CA  UNL     1      -0.982   1.131  -2.816  1.00  0.00           C  
HETATM    8  C   UNL     1       2.226  -0.812   3.668  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.426   0.089  -1.822  1.00  0.00           C  
HETATM   10  C   UNL     1       1.331   1.112  -3.769  1.00  0.00           C  
HETATM   11  C   UNL     1       2.006  -0.526  -5.378  1.00  0.00           C  
HETATM   12  C   UNL     1       0.746  -1.093  -5.329  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.219  -0.559  -4.496  1.00  0.00           C  
HETATM   14  CA  UNL     1       0.092   0.323   2.858  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.098  -1.556   1.222  1.00  0.00           C  
HETATM   16  CA  UNL     1      -1.226  -1.036   0.328  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.828  -0.459   1.592  1.00  0.00           C  
HETATM   18  C   UNL     1       2.360   1.442   2.535  1.00  0.00           C  
HETATM   19  N   UNL     1      -2.133   1.562  -3.621  1.00  0.00           N  
HETATM   20  O   UNL     1      -0.491  -0.477   4.996  1.00  0.00           O  
HETATM   21  OXT UNL     1      -0.067   1.689   4.908  1.00  0.00           O  
HETATM   22  O   UNL     1      -2.352  -0.647  -2.088  1.00  0.00           O  
HETATM   23  O   UNL     1      -2.884   0.075   1.855  1.00  0.00           O  
HETATM   24  S   UNL     1       1.514  -0.713   0.962  1.00  0.00           S  
HETATM   25  H   UNL     1       3.283   1.019  -4.636  1.00  0.00           H  
HETATM   26  H   UNL     1      -0.054   0.565  -0.424  1.00  0.00           H  
HETATM   27  HA  UNL     1      -0.570   1.988  -2.284  1.00  0.00           H  
HETATM   28  H   UNL     1       3.270  -1.004   3.418  1.00  0.00           H  
HETATM   29  H   UNL     1       2.169  -0.336   4.646  1.00  0.00           H  
HETATM   30  H   UNL     1       1.679  -1.754   3.690  1.00  0.00           H  
HETATM   31  H   UNL     1       1.560   1.974  -3.159  1.00  0.00           H  
HETATM   32  H   UNL     1       2.761  -0.945  -6.026  1.00  0.00           H  
HETATM   33  H   UNL     1       0.517  -1.954  -5.939  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.203  -1.002  -4.458  1.00  0.00           H  
HETATM   35  HA  UNL     1      -0.207   1.235   2.342  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.039  -2.638   1.337  1.00  0.00           H  
HETATM   37  HA  UNL     1      -1.826  -1.826  -0.122  1.00  0.00           H  
HETATM   38  H   UNL     1       3.404   1.257   2.281  1.00  0.00           H  
HETATM   39  H   UNL     1       1.906   2.070   1.769  1.00  0.00           H  
HETATM   40  H   UNL     1       2.305   1.948   3.499  1.00  0.00           H  
HETATM   41  H1  UNL     1      -2.480   0.740  -4.093  1.00  0.00           H  
HETATM   42  H2  UNL     1      -2.850   1.848  -2.971  1.00  0.00           H  
HETATM   43  HXT UNL     1      -0.239   1.791   5.854  1.00  0.00           H  
CONECT    1   10   10   11   25                                       
CONECT    2    7   10   13   13                                       
CONECT    3    8   14   18   24                                       
CONECT    4    9   16   26                                            
CONECT    5   14   20   20   21                                       
CONECT    6   14   15   17                                            
CONECT    7    2    9   19   27                                       
CONECT    8    3   28   29   30                                       
CONECT    9    4    7   22   22                                       
CONECT   10    1    1    2   31                                       
CONECT   11    1   12   12   32                                       
CONECT   12   11   11   13   33                                       
CONECT   13    2    2   12   34                                       
CONECT   14    3    5    6   35                                       
CONECT   15    6   16   24   36                                       
CONECT   16    4   15   17   37                                       
CONECT   17    6   16   23   23                                       
CONECT   18    3   38   39   40                                       
CONECT   19    7   41   42                                            
CONECT   20    5    5                                                 
CONECT   21    5   43                                                 
CONECT   22    9    9                                                 
CONECT   23   17   17                                                 
CONECT   24    3   15                                                 
CONECT   25    1                                                      
CONECT   26    4                                                      
CONECT   27    7                                                      
CONECT   28    8                                                      
CONECT   29    8                                                      
CONECT   30    8                                                      
CONECT   31   10                                                      
CONECT   32   11                                                      
CONECT   33   12                                                      
CONECT   34   13                                                      
CONECT   35   14                                                      
CONECT   36   15                                                      
CONECT   37   16                                                      
CONECT   38   18                                                      
CONECT   39   18                                                      
CONECT   40   18                                                      
CONECT   41   19                                                      
CONECT   42   19                                                      
CONECT   43   21                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
