COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.293   1.150   0.817  1.00  0.00           C  
HETATM    2  O   UNL     1      -1.866   3.017  -0.622  1.00  0.00           O  
HETATM    3  O   UNL     1       2.091  -0.719   0.811  1.00  0.00           O  
HETATM    4  O   UNL     1       0.759  -3.343  -0.734  1.00  0.00           O  
HETATM    5  OXT UNL     1      -4.038   3.074  -0.177  1.00  0.00           O  
HETATM    6  C   UNL     1       6.388   0.983   0.959  1.00  0.00           C  
HETATM    7  C   UNL     1       6.228  -0.168   0.210  1.00  0.00           C  
HETATM    8  C   UNL     1       5.373   1.920   1.012  1.00  0.00           C  
HETATM    9  C   UNL     1       5.054  -0.381  -0.488  1.00  0.00           C  
HETATM   10  C   UNL     1       4.201   1.710   0.309  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.563  -1.135   0.227  1.00  0.00           C  
HETATM   12  C   UNL     1       2.759   0.325  -1.197  1.00  0.00           C  
HETATM   13  N   UNL     1      -2.023   0.287  -0.455  1.00  0.00           N  
HETATM   14  N   UNL     1       0.559  -0.730  -0.794  1.00  0.00           N  
HETATM   15  S   UNL     1      -3.000  -1.921   0.737  1.00  0.00           S  
HETATM   16  C   UNL     1      -4.347   0.363   0.314  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.030   2.413  -0.320  1.00  0.00           C  
HETATM   18  C   UNL     1       1.780  -0.412  -0.320  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.131  -2.928  -0.031  1.00  0.00           C  
HETATM   20  CA  UNL     1      -3.082   0.935  -0.163  1.00  0.00           C  
HETATM   21  C   UNL     1       4.039   0.557  -0.436  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.819  -1.152  -0.410  1.00  0.00           C  
HETATM   23  CA  UNL     1      -0.393  -1.447   0.059  1.00  0.00           C  
HETATM   24  H   UNL     1      -6.264   0.742   1.058  1.00  0.00           H  
HETATM   25  H   UNL     1      -5.089   2.196   0.990  1.00  0.00           H  
HETATM   26  H   UNL     1      -1.882   3.980  -0.714  1.00  0.00           H  
HETATM   27  H   UNL     1       7.303   1.147   1.508  1.00  0.00           H  
HETATM   28  H   UNL     1       7.021  -0.900   0.169  1.00  0.00           H  
HETATM   29  H   UNL     1       5.496   2.817   1.601  1.00  0.00           H  
HETATM   30  H   UNL     1       4.929  -1.280  -1.073  1.00  0.00           H  
HETATM   31  H   UNL     1       3.409   2.443   0.349  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.806  -1.418  -0.798  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.369  -1.435   0.896  1.00  0.00           H  
HETATM   34  H   UNL     1       2.968  -0.268  -2.087  1.00  0.00           H  
HETATM   35  H   UNL     1       2.333   1.284  -1.492  1.00  0.00           H  
HETATM   36  H   UNL     1       0.310  -0.485  -1.699  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.739  -3.619   0.534  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.962  -1.568  -1.407  1.00  0.00           H  
HETATM   39  HA  UNL     1      -0.275  -1.119   1.091  1.00  0.00           H  
CONECT    1   16   16   24   25                                       
CONECT    2   17   26                                                 
CONECT    3   18   18                                                 
CONECT    4   19   19                                                 
CONECT    5   17   17                                                 
CONECT    6    7    7    8   27                                       
CONECT    7    6    6    9   28                                       
CONECT    8    6   10   10   29                                       
CONECT    9    7   21   21   30                                       
CONECT   10    8    8   21   31                                       
CONECT   11   15   16   32   33                                       
CONECT   12   18   21   34   35                                       
CONECT   13   22   20   20                                            
CONECT   14   23   18   36                                            
CONECT   15   11   22                                                 
CONECT   16    1    1   11   20                                       
CONECT   17    2    5    5   20                                       
CONECT   18    3    3   12   14                                       
CONECT   19    4    4   23   37                                       
CONECT   20   13   13   16   17                                       
CONECT   21    9    9   10   12                                       
CONECT   22   13   15   23   38                                       
CONECT   23   14   19   22   39                                       
CONECT   24    1                                                      
CONECT   25    1                                                      
CONECT   26    2                                                      
CONECT   27    6                                                      
CONECT   28    7                                                      
CONECT   29    8                                                      
CONECT   30    9                                                      
CONECT   31   10                                                      
CONECT   32   11                                                      
CONECT   33   11                                                      
CONECT   34   12                                                      
CONECT   35   12                                                      
CONECT   36   14                                                      
CONECT   37   19                                                      
CONECT   38   22                                                      
CONECT   39   23                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
