COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -8.518   4.942  -6.017  1.00  0.00           C  
HETATM    2  CA  UNL     1      -8.602   3.962  -4.864  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.400   4.080  -3.915  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.036   3.868  -4.585  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.116   3.966  -3.675  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.183   0.294  -3.120  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.350  -0.555  -2.580  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.542  -0.524  -3.544  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.896   4.055  -3.585  1.00  0.00           C  
HETATM   10  N   UNL     1      -8.719   2.614  -5.417  1.00  0.00           N  
HETATM   11  O   UNL     1      -8.478   4.660  -7.206  1.00  0.00           O  
HETATM   12  OXT UNL     1      -8.508   6.220  -5.555  1.00  0.00           O  
HETATM   13  O   UNL     1      -1.565   1.672  -3.167  1.00  0.00           O  
HETATM   14  C   UNL     1       0.042   0.248  -2.228  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.810  -0.102  -1.193  1.00  0.00           C  
HETATM   16  O   UNL     1       0.943  -0.684  -2.631  1.00  0.00           O  
HETATM   17  O   UNL     1       0.215   0.960  -1.247  1.00  0.00           O  
HETATM   18  C   UNL     1      -3.530   3.896  -4.227  1.00  0.00           C  
HETATM   19  O   UNL     1      -3.368   3.645  -5.419  1.00  0.00           O  
HETATM   20  N   UNL     1      -2.508   4.068  -3.305  1.00  0.00           N  
HETATM   21  O   UNL     1       0.530   2.222  -3.939  1.00  0.00           O  
HETATM   22  C   UNL     1      -0.605   2.538  -3.598  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.361   4.906  -2.761  1.00  0.00           C  
HETATM   24  O   UNL     1      -0.659   5.114  -1.591  1.00  0.00           O  
HETATM   25  S   UNL     1       1.046   5.674  -3.492  1.00  0.00           S  
HETATM   26  HA  UNL     1      -9.524   4.180  -4.312  1.00  0.00           H  
HETATM   27  H   UNL     1      -7.516   3.349  -3.104  1.00  0.00           H  
HETATM   28  H   UNL     1      -7.411   5.070  -3.441  1.00  0.00           H  
HETATM   29  H   UNL     1      -5.978   2.862  -5.016  1.00  0.00           H  
HETATM   30  H   UNL     1      -5.911   4.576  -5.414  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.063   4.286  -4.720  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.909   0.009  -4.142  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.023  -1.601  -2.504  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.274  -0.934  -4.523  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.905   0.499  -3.691  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.372  -1.126  -3.156  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.950   5.055  -3.139  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.983   3.319  -2.777  1.00  0.00           H  
HETATM   39  H1  UNL     1      -8.257   2.420  -6.278  1.00  0.00           H  
HETATM   40  H2  UNL     1      -9.409   2.008  -5.030  1.00  0.00           H  
HETATM   41  HXT UNL     1      -8.466   6.873  -6.286  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.088   0.958  -1.193  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.681  -0.679  -0.863  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.025  -0.252  -0.445  1.00  0.00           H  
HETATM   45  H   UNL     1       1.751  -0.751  -2.079  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.734   4.284  -2.338  1.00  0.00           H  
HETATM   47  H   UNL     1       1.426   6.371  -2.412  1.00  0.00           H  
CONECT    1    2   11   11   12                                       
CONECT    2    1    3   10   26                                       
CONECT    3    2    4   27   28                                       
CONECT    4    3    9   29   30                                       
CONECT    5   20   22   23   31                                       
CONECT    6    7   13   14   32                                       
CONECT    7    6    8   15   33                                       
CONECT    8    7   34   35   36                                       
CONECT    9    4   18   37   38                                       
CONECT   10    2   39   40                                            
CONECT   11    1    1                                                 
CONECT   12    1   41                                                 
CONECT   13    6   22                                                 
CONECT   14    6   16   17   17                                       
CONECT   15    7   42   43   44                                       
CONECT   16   14   45                                                 
CONECT   17   14   14                                                 
CONECT   18    9   19   19   20                                       
CONECT   19   18   18                                                 
CONECT   20    5   18   46                                            
CONECT   21   22   22                                                 
CONECT   22    5   13   21   21                                       
CONECT   23    5   24   24   25                                       
CONECT   24   23   23                                                 
CONECT   25   23   47                                                 
CONECT   26    2                                                      
CONECT   27    3                                                      
CONECT   28    3                                                      
CONECT   29    4                                                      
CONECT   30    4                                                      
CONECT   31    5                                                      
CONECT   32    6                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35    8                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38    9                                                      
CONECT   39   10                                                      
CONECT   40   10                                                      
CONECT   41   12                                                      
CONECT   42   15                                                      
CONECT   43   15                                                      
CONECT   44   15                                                      
CONECT   45   16                                                      
CONECT   46   20                                                      
CONECT   47   25                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
