COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.442  -1.445  -1.579  1.00  0.00           C  
HETATM    2  CA  UNL     1      -0.842  -1.943  -0.924  1.00  0.00           C  
HETATM    3  S   UNL     1       0.623   0.368  -1.664  1.00  0.00           S  
HETATM    4  C   UNL     1       2.420   0.538  -1.440  1.00  0.00           C  
HETATM    5  C   UNL     1       2.944  -0.363  -0.370  1.00  0.00           C  
HETATM    6  CA  UNL     1       2.385  -1.452   0.134  1.00  0.00           C  
HETATM    7  N   UNL     1       1.113  -1.857  -0.306  1.00  0.00           N  
HETATM    8  C   UNL     1       0.039  -2.503   0.180  1.00  0.00           C  
HETATM    9  O   UNL     1      -0.150  -3.240   1.124  1.00  0.00           O  
HETATM   10  N   UNL     1      -1.730  -0.866  -0.477  1.00  0.00           N  
HETATM   11  C   UNL     1      -3.053  -1.091  -0.356  1.00  0.00           C  
HETATM   12  O   UNL     1      -3.498  -2.209  -0.526  1.00  0.00           O  
HETATM   13  C   UNL     1      -3.967   0.025  -0.016  1.00  0.00           C  
HETATM   14  N   UNL     1      -5.255  -0.169   0.000  1.00  0.00           N  
HETATM   15  O   UNL     1      -5.778  -1.469  -0.202  1.00  0.00           O  
HETATM   16  C   UNL     1      -7.205  -1.535  -0.159  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.416   1.359   0.306  1.00  0.00           C  
HETATM   18  N   UNL     1      -2.116   1.639   0.205  1.00  0.00           N  
HETATM   19  C   UNL     1      -1.750   2.843   0.514  1.00  0.00           C  
HETATM   20  N   UNL     1      -0.450   3.319   0.472  1.00  0.00           N  
HETATM   21  S   UNL     1      -3.160   3.782   0.996  1.00  0.00           S  
HETATM   22  C   UNL     1      -4.192   2.382   0.716  1.00  0.00           C  
HETATM   23  C   UNL     1       4.282   0.018   0.211  1.00  0.00           C  
HETATM   24  O   UNL     1       4.808   1.170  -0.499  1.00  0.00           O  
HETATM   25  C   UNL     1       6.045   1.575  -0.171  1.00  0.00           C  
HETATM   26  O   UNL     1       6.702   0.933   0.613  1.00  0.00           O  
HETATM   27  C   UNL     1       6.613   2.830  -0.782  1.00  0.00           C  
HETATM   28  C   UNL     1       3.095  -2.240   1.158  1.00  0.00           C  
HETATM   29  O   UNL     1       2.635  -3.299   1.538  1.00  0.00           O  
HETATM   30  OXT UNL     1       4.255  -1.786   1.673  1.00  0.00           O  
HETATM   31  H   UNL     1       0.742  -1.972  -2.485  1.00  0.00           H  
HETATM   32  HA  UNL     1      -1.360  -2.709  -1.501  1.00  0.00           H  
HETATM   33  H   UNL     1       2.918   0.297  -2.380  1.00  0.00           H  
HETATM   34  H   UNL     1       2.648   1.571  -1.176  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.366   0.008  -0.269  1.00  0.00           H  
HETATM   36  H   UNL     1      -7.621  -0.896  -0.938  1.00  0.00           H  
HETATM   37  H   UNL     1      -7.526  -2.563  -0.322  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.555  -1.195   0.816  1.00  0.00           H  
HETATM   39  H   UNL     1       0.272   2.734   0.194  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.261   4.237   0.721  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.263   2.348   0.852  1.00  0.00           H  
HETATM   42  H   UNL     1       4.163   0.263   1.266  1.00  0.00           H  
HETATM   43  H   UNL     1       4.973  -0.819   0.108  1.00  0.00           H  
HETATM   44  H   UNL     1       5.850   3.316  -1.390  1.00  0.00           H  
HETATM   45  H   UNL     1       6.933   3.507   0.010  1.00  0.00           H  
HETATM   46  H   UNL     1       7.468   2.574  -1.408  1.00  0.00           H  
HETATM   47  HXT UNL     1       4.722  -2.370   2.286  1.00  0.00           H  
CONECT    1    2    3    7   31                                       
CONECT    2    1    8   10   32                                       
CONECT    3    1    4                                                 
CONECT    4    3    5   33   34                                       
CONECT    5    4    6    6   23                                       
CONECT    6    5    5    7   28                                       
CONECT    7    1    6    8                                            
CONECT    8    2    7    9    9                                       
CONECT    9    8    8                                                 
CONECT   10    2   11   35                                            
CONECT   11   10   12   12   13                                       
CONECT   12   11   11                                                 
CONECT   13   11   14   14   17                                       
CONECT   14   13   13   15                                            
CONECT   15   14   16                                                 
CONECT   16   15   36   37   38                                       
CONECT   17   13   18   22   22                                       
CONECT   18   17   19   19                                            
CONECT   19   18   18   20   21                                       
CONECT   20   19   39   40                                            
CONECT   21   19   22                                                 
CONECT   22   17   17   21   41                                       
CONECT   23    5   24   42   43                                       
CONECT   24   23   25                                                 
CONECT   25   24   26   26   27                                       
CONECT   26   25   25                                                 
CONECT   27   25   44   45   46                                       
CONECT   28    6   29   29   30                                       
CONECT   29   28   28                                                 
CONECT   30   28   47                                                 
CONECT   31    1                                                      
CONECT   32    2                                                      
CONECT   33    4                                                      
CONECT   34    4                                                      
CONECT   35   10                                                      
CONECT   36   16                                                      
CONECT   37   16                                                      
CONECT   38   16                                                      
CONECT   39   20                                                      
CONECT   40   20                                                      
CONECT   41   22                                                      
CONECT   42   23                                                      
CONECT   43   23                                                      
CONECT   44   27                                                      
CONECT   45   27                                                      
CONECT   46   27                                                      
CONECT   47   30                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
