COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  CA  UNL     1       1.400  -0.557   0.034  1.00  0.00           C  
HETATM    2  HA  UNL     1       1.234  -1.416  -0.614  1.00  0.00           H  
HETATM    3  C   UNL     1       2.602   0.241  -0.475  1.00  0.00           C  
HETATM    4  S   UNL     1       2.892   1.683   0.602  1.00  0.00           S  
HETATM    5  C   UNL     1       4.414   2.366  -0.122  1.00  0.00           C  
HETATM    6  N   UNL     1       3.814  -0.590  -0.422  1.00  0.00           N  
HETATM    7  CA  UNL     1       5.076  -0.018  -0.514  1.00  0.00           C  
HETATM    8  C   UNL     1       6.194  -0.939  -0.789  1.00  0.00           C  
HETATM    9  O   UNL     1       5.980  -2.269  -0.819  1.00  0.00           O  
HETATM   10  OXT UNL     1       7.309  -0.499  -0.988  1.00  0.00           O  
HETATM   11  C   UNL     1       5.385   1.251  -0.385  1.00  0.00           C  
HETATM   12  N   UNL     1       0.210   0.297   0.029  1.00  0.00           N  
HETATM   13  H   UNL     1       2.422   0.572  -1.498  1.00  0.00           H  
HETATM   14  H   UNL     1       4.176   2.870  -1.059  1.00  0.00           H  
HETATM   15  H   UNL     1       3.731  -1.551  -0.322  1.00  0.00           H  
HETATM   16  C   UNL     1       6.840   1.622  -0.510  1.00  0.00           C  
HETATM   17  H   UNL     1       4.858   3.079   0.572  1.00  0.00           H  
HETATM   18  H   UNL     1       0.303   1.261   0.089  1.00  0.00           H  
HETATM   19  C   UNL     1      -1.016  -0.256  -0.060  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.241   0.622  -0.065  1.00  0.00           C  
HETATM   21  O   UNL     1      -1.133  -1.461  -0.135  1.00  0.00           O  
HETATM   22  C   UNL     1      -3.493  -0.250  -0.174  1.00  0.00           C  
HETATM   23  H   UNL     1      -2.279   1.198   0.859  1.00  0.00           H  
HETATM   24  H   UNL     1      -2.197   1.301  -0.916  1.00  0.00           H  
HETATM   25  C   UNL     1      -4.736   0.641  -0.180  1.00  0.00           C  
HETATM   26  H   UNL     1      -3.455  -0.827  -1.098  1.00  0.00           H  
HETATM   27  H   UNL     1      -3.537  -0.930   0.677  1.00  0.00           H  
HETATM   28  C   UNL     1      -5.989  -0.231  -0.288  1.00  0.00           C  
HETATM   29  H   UNL     1      -4.774   1.218   0.744  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.692   1.321  -1.031  1.00  0.00           H  
HETATM   31  CA  UNL     1      -7.232   0.660  -0.294  1.00  0.00           C  
HETATM   32  H   UNL     1      -5.951  -0.808  -1.213  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.033  -0.911   0.562  1.00  0.00           H  
HETATM   34  C   UNL     1      -8.457  -0.187  -0.524  1.00  0.00           C  
HETATM   35  N   UNL     1      -7.348   1.347   0.999  1.00  0.00           N  
HETATM   36  HA  UNL     1      -7.146   1.399  -1.091  1.00  0.00           H  
HETATM   37  O   UNL     1      -8.776  -0.583  -1.767  1.00  0.00           O  
HETATM   38  OXT UNL     1      -9.152  -0.511   0.410  1.00  0.00           O  
HETATM   39  H   UNL     1       6.953   2.698  -0.383  1.00  0.00           H  
HETATM   40  H   UNL     1       7.415   1.103   0.257  1.00  0.00           H  
HETATM   41  H   UNL     1       7.205   1.333  -1.496  1.00  0.00           H  
HETATM   42  H1  UNL     1      -8.125   1.991   0.998  1.00  0.00           H  
HETATM   43  H2  UNL     1      -7.429   0.684   1.755  1.00  0.00           H  
HETATM   44  H   UNL     1      -9.571  -1.125  -1.865  1.00  0.00           H  
HETATM   45  H   UNL     1       6.744  -2.833  -1.003  1.00  0.00           H  
HETATM   46  C   UNL     1       1.671  -1.032   1.439  1.00  0.00           C  
HETATM   47  O   UNL     1       2.720  -1.832   1.686  1.00  0.00           O  
HETATM   48  OXT UNL     1       0.945  -0.692   2.342  1.00  0.00           O  
HETATM   49  H   UNL     1       2.853  -2.111   2.602  1.00  0.00           H  
CONECT    1    2    3   12   46                                       
CONECT    2    1                                                      
CONECT    3    1    4    6   13                                       
CONECT    4    3    5                                                 
CONECT    5    4   11   14   17                                       
CONECT    6    3    7   15                                            
CONECT    7    6    8   11   11                                       
CONECT    8    7    9   10   10                                       
CONECT    9    8   45                                                 
CONECT   10    8    8                                                 
CONECT   11    5    7    7   16                                       
CONECT   12    1   18   19                                            
CONECT   13    3                                                      
CONECT   14    5                                                      
CONECT   15    6                                                      
CONECT   16   11   39   40   41                                       
CONECT   17    5                                                      
CONECT   18   12                                                      
CONECT   19   12   20   21   21                                       
CONECT   20   19   22   23   24                                       
CONECT   21   19   19                                                 
CONECT   22   20   25   26   27                                       
CONECT   23   20                                                      
CONECT   24   20                                                      
CONECT   25   22   28   29   30                                       
CONECT   26   22                                                      
CONECT   27   22                                                      
CONECT   28   25   31   32   33                                       
CONECT   29   25                                                      
CONECT   30   25                                                      
CONECT   31   28   34   35   36                                       
CONECT   32   28                                                      
CONECT   33   28                                                      
CONECT   34   31   37   38   38                                       
CONECT   35   31   42   43                                            
CONECT   36   31                                                      
CONECT   37   34   44                                                 
CONECT   38   34   34                                                 
CONECT   39   16                                                      
CONECT   40   16                                                      
CONECT   41   16                                                      
CONECT   42   35                                                      
CONECT   43   35                                                      
CONECT   44   37                                                      
CONECT   45    9                                                      
CONECT   46    1   47   48   48                                       
CONECT   47   46   49                                                 
CONECT   48   46   46                                                 
CONECT   49   47                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
