COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -7.095   2.199  -0.083  1.00  0.00           O  
HETATM    2  C   UNL     1      -5.929   1.915  -0.265  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.471   0.601  -0.003  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.252  -0.486   0.472  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.421  -1.564   0.584  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.656  -2.896   1.005  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.628  -3.780   1.019  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.340  -3.367   0.616  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.119  -2.103   0.217  1.00  0.00           C  
HETATM   10  N   UNL     1      -4.146  -1.183   0.193  1.00  0.00           N  
HETATM   11  C   UNL     1      -4.169   0.126  -0.169  1.00  0.00           C  
HETATM   12  N   UNL     1      -3.090   0.862  -0.621  1.00  0.00           N  
HETATM   13  CA  UNL     1      -1.839   0.104  -0.478  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.667  -0.810  -1.664  1.00  0.00           C  
HETATM   15  O   UNL     1      -0.588  -1.604  -1.748  1.00  0.00           O  
HETATM   16  OXT UNL     1      -2.500  -0.828  -2.539  1.00  0.00           O  
HETATM   17  C   UNL     1      -0.660   1.076  -0.407  1.00  0.00           C  
HETATM   18  S   UNL     1      -0.790   2.076   1.100  1.00  0.00           S  
HETATM   19  O   UNL     1      -0.756   1.033   2.208  1.00  0.00           O  
HETATM   20  O   UNL     1      -2.103   2.609   1.203  1.00  0.00           O  
HETATM   21  C   UNL     1      -0.680   1.993  -1.632  1.00  0.00           C  
HETATM   22  C   UNL     1       0.651   0.286  -0.383  1.00  0.00           C  
HETATM   23  O   UNL     1       1.770   1.208  -0.316  1.00  0.00           O  
HETATM   24  C   UNL     1       3.000   0.672  -0.287  1.00  0.00           C  
HETATM   25  O   UNL     1       3.137  -0.528  -0.318  1.00  0.00           O  
HETATM   26  C   UNL     1       4.211   1.567  -0.218  1.00  0.00           C  
HETATM   27  C   UNL     1       5.459   0.722  -0.198  1.00  0.00           C  
HETATM   28  C   UNL     1       5.984   0.296   1.008  1.00  0.00           C  
HETATM   29  C   UNL     1       6.074   0.371  -1.385  1.00  0.00           C  
HETATM   30  C   UNL     1       7.218  -0.404  -1.372  1.00  0.00           C  
HETATM   31  C   UNL     1       7.753  -0.829  -0.167  1.00  0.00           C  
HETATM   32  O   UNL     1       8.880  -1.591  -0.152  1.00  0.00           O  
HETATM   33  C   UNL     1       7.132  -0.480   1.028  1.00  0.00           C  
HETATM   34  O   UNL     1       7.650  -0.900   2.214  1.00  0.00           O  
HETATM   35  H   UNL     1      -5.241   2.663  -0.631  1.00  0.00           H  
HETATM   36  H   UNL     1      -7.306  -0.464   0.703  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.644  -3.204   1.312  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.794  -4.798   1.338  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.524  -4.074   0.629  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.127  -1.805  -0.087  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.227   1.156  -1.577  1.00  0.00           H  
HETATM   42  HA  UNL     1      -1.877  -0.489   0.436  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.521  -2.172  -2.527  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.817   1.404   3.099  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.613   2.556  -1.649  1.00  0.00           H  
HETATM   46  H   UNL     1       0.161   2.685  -1.581  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.602   1.392  -2.537  1.00  0.00           H  
HETATM   48  H   UNL     1       0.665  -0.367   0.489  1.00  0.00           H  
HETATM   49  H   UNL     1       0.729  -0.315  -1.289  1.00  0.00           H  
HETATM   50  H   UNL     1       4.229   2.222  -1.089  1.00  0.00           H  
HETATM   51  H   UNL     1       4.166   2.170   0.689  1.00  0.00           H  
HETATM   52  H   UNL     1       5.500   0.569   1.934  1.00  0.00           H  
HETATM   53  H   UNL     1       5.658   0.702  -2.326  1.00  0.00           H  
HETATM   54  H   UNL     1       7.696  -0.677  -2.302  1.00  0.00           H  
HETATM   55  H   UNL     1       9.699  -1.080  -0.109  1.00  0.00           H  
HETATM   56  H   UNL     1       7.306  -1.752   2.513  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1   35    3                                       
CONECT    3    2    4   11   11                                       
CONECT    4    3   36    5    5                                       
CONECT    5    4    4    6   10                                       
CONECT    6    5   37    7    7                                       
CONECT    7    6    6   38    8                                       
CONECT    8    7   39    9    9                                       
CONECT    9    8    8   10   40                                       
CONECT   10    9    5   11                                            
CONECT   11    3    3   10   12                                       
CONECT   12   11   41   13                                            
CONECT   13   12   14   42   17                                       
CONECT   14   13   15   16   16                                       
CONECT   15   14   43                                                 
CONECT   16   14   14                                                 
CONECT   17   13   21   18   22                                       
CONECT   18   17   19   20   20                                       
CONECT   19   18   44                                                 
CONECT   20   18   18                                                 
CONECT   21   17   45   46   47                                       
CONECT   22   17   23   48   49                                       
CONECT   23   22   24                                                 
CONECT   24   23   25   25   26                                       
CONECT   25   24   24                                                 
CONECT   26   24   50   51   27                                       
CONECT   27   26   29   28   28                                       
CONECT   28   27   27   52   33                                       
CONECT   29   27   53   30   30                                       
CONECT   30   29   29   54   31                                       
CONECT   31   30   32   33   33                                       
CONECT   32   31   55                                                 
CONECT   33   28   31   31   34                                       
CONECT   34   33   56                                                 
CONECT   35    2                                                      
CONECT   36    4                                                      
CONECT   37    6                                                      
CONECT   38    7                                                      
CONECT   39    8                                                      
CONECT   40    9                                                      
CONECT   41   12                                                      
CONECT   42   13                                                      
CONECT   43   15                                                      
CONECT   44   19                                                      
CONECT   45   21                                                      
CONECT   46   21                                                      
CONECT   47   21                                                      
CONECT   48   22                                                      
CONECT   49   22                                                      
CONECT   50   26                                                      
CONECT   51   26                                                      
CONECT   52   28                                                      
CONECT   53   29                                                      
CONECT   54   30                                                      
CONECT   55   32                                                      
CONECT   56   34                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
