COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.134  -2.730   0.550  1.00  0.00           C  
HETATM    2  O   UNL     1      -0.640  -3.490  -0.248  1.00  0.00           O  
HETATM    3  CA  UNL     1      -0.513  -1.378   0.788  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.528  -0.284   0.449  1.00  0.00           C  
HETATM    5  S   UNL     1      -2.086  -0.415  -1.301  1.00  0.00           S  
HETATM    6  C   UNL     1      -3.727   0.354  -0.999  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.826  -0.416  -1.735  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.720   1.822  -1.429  1.00  0.00           C  
HETATM    9  CA  UNL     1      -3.906   0.232   0.526  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.981   1.615   1.119  1.00  0.00           C  
HETATM   11  O   UNL     1      -5.130   2.307   1.064  1.00  0.00           O  
HETATM   12  OXT UNL     1      -3.007   2.102   1.643  1.00  0.00           O  
HETATM   13  N   UNL     1      -2.812  -0.501   1.171  1.00  0.00           N  
HETATM   14  N   UNL     1       0.670  -1.228  -0.064  1.00  0.00           N  
HETATM   15  C   UNL     1       1.861  -1.704   0.348  1.00  0.00           C  
HETATM   16  O   UNL     1       1.954  -2.257   1.424  1.00  0.00           O  
HETATM   17  CA  UNL     1       3.078  -1.549  -0.527  1.00  0.00           C  
HETATM   18  N   UNL     1       4.100  -2.523  -0.122  1.00  0.00           N  
HETATM   19  C   UNL     1       3.628  -0.154  -0.382  1.00  0.00           C  
HETATM   20  C   UNL     1       3.345   0.803  -1.339  1.00  0.00           C  
HETATM   21  C   UNL     1       3.848   2.083  -1.207  1.00  0.00           C  
HETATM   22  C   UNL     1       4.637   2.408  -0.114  1.00  0.00           C  
HETATM   23  C   UNL     1       4.919   1.446   0.845  1.00  0.00           C  
HETATM   24  C   UNL     1       4.409   0.169   0.712  1.00  0.00           C  
HETATM   25  O   UNL     1       5.133   3.667   0.018  1.00  0.00           O  
HETATM   26  H   UNL     1      -2.024  -3.018   1.090  1.00  0.00           H  
HETATM   27  HA  UNL     1      -0.221  -1.291   1.834  1.00  0.00           H  
HETATM   28  H   UNL     1      -1.120   0.705   0.658  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.831  -1.452  -1.398  1.00  0.00           H  
HETATM   30  H   UNL     1      -5.793   0.040  -1.523  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.636  -0.384  -2.808  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.515   1.888  -2.497  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.693   2.267  -1.218  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.949   2.359  -0.877  1.00  0.00           H  
HETATM   35  HA  UNL     1      -4.843  -0.288   0.729  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.130   3.190   1.458  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.027  -1.484   1.240  1.00  0.00           H  
HETATM   38  H   UNL     1       0.595  -0.785  -0.924  1.00  0.00           H  
HETATM   39  HA  UNL     1       2.802  -1.724  -1.567  1.00  0.00           H  
HETATM   40  H1  UNL     1       4.373  -2.382   0.839  1.00  0.00           H  
HETATM   41  H2  UNL     1       3.779  -3.468  -0.271  1.00  0.00           H  
HETATM   42  H   UNL     1       2.731   0.549  -2.190  1.00  0.00           H  
HETATM   43  H   UNL     1       3.627   2.830  -1.956  1.00  0.00           H  
HETATM   44  H   UNL     1       5.533   1.697   1.698  1.00  0.00           H  
HETATM   45  H   UNL     1       4.625  -0.578   1.461  1.00  0.00           H  
HETATM   46  H   UNL     1       4.555   4.268   0.506  1.00  0.00           H  
CONECT    1    2    2    3   26                                       
CONECT    2    1    1                                                 
CONECT    3    1    4   14   27                                       
CONECT    4    3    5   13   28                                       
CONECT    5    4    6                                                 
CONECT    6    5    7    8    9                                       
CONECT    7    6   29   30   31                                       
CONECT    8    6   32   33   34                                       
CONECT    9    6   10   13   35                                       
CONECT   10    9   11   12   12                                       
CONECT   11   10   36                                                 
CONECT   12   10   10                                                 
CONECT   13    4    9   37                                            
CONECT   14    3   15   38                                            
CONECT   15   14   16   16   17                                       
CONECT   16   15   15                                                 
CONECT   17   15   18   19   39                                       
CONECT   18   17   40   41                                            
CONECT   19   17   20   20   24                                       
CONECT   20   19   19   21   42                                       
CONECT   21   20   22   22   43                                       
CONECT   22   21   21   23   25                                       
CONECT   23   22   24   24   44                                       
CONECT   24   19   23   23   45                                       
CONECT   25   22   46                                                 
CONECT   26    1                                                      
CONECT   27    3                                                      
CONECT   28    4                                                      
CONECT   29    7                                                      
CONECT   30    7                                                      
CONECT   31    7                                                      
CONECT   32    8                                                      
CONECT   33    8                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36   11                                                      
CONECT   37   13                                                      
CONECT   38   14                                                      
CONECT   39   17                                                      
CONECT   40   18                                                      
CONECT   41   18                                                      
CONECT   42   20                                                      
CONECT   43   21                                                      
CONECT   44   23                                                      
CONECT   45   24                                                      
CONECT   46   25                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
