COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.174   0.122   0.801  1.00  0.00           C  
HETATM    2  C   UNL     1       5.680   1.875  -1.158  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.174  -2.196   1.355  1.00  0.00           C  
HETATM    4  C   UNL     1       0.786  -2.015  -0.833  1.00  0.00           C  
HETATM    5  C   UNL     1       6.838   0.386   0.387  1.00  0.00           C  
HETATM    6  S   UNL     1      -4.431   0.596   1.493  1.00  0.00           S  
HETATM    7  O   UNL     1      -1.995   3.123   1.333  1.00  0.00           O  
HETATM    8  O   UNL     1       0.012   1.673  -0.883  1.00  0.00           O  
HETATM    9  O   UNL     1      -5.002  -0.576  -2.221  1.00  0.00           O  
HETATM   10  OXT UNL     1      -7.060  -1.233  -1.758  1.00  0.00           O  
HETATM   11  O   UNL     1       3.083  -0.268   1.949  1.00  0.00           O  
HETATM   12  O   UNL     1       5.419  -0.561   2.012  1.00  0.00           O  
HETATM   13  O   UNL     1       7.855  -0.068   0.869  1.00  0.00           O  
HETATM   14  O   UNL     1      -0.387  -5.420  -0.316  1.00  0.00           O  
HETATM   15  N   UNL     1      -5.002   1.687  -0.891  1.00  0.00           N  
HETATM   16  N   UNL     1      -1.600   0.738   0.322  1.00  0.00           N  
HETATM   17  N   UNL     1       2.062   0.345   0.074  1.00  0.00           N  
HETATM   18  N   UNL     1       4.389   0.336   0.257  1.00  0.00           N  
HETATM   19  N   UNL     1       6.897   1.229  -0.663  1.00  0.00           N  
HETATM   20  C   UNL     1      -3.975   0.857  -0.247  1.00  0.00           C  
HETATM   21  CA  UNL     1      -2.622   1.567  -0.321  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.712   2.894   0.388  1.00  0.00           C  
HETATM   23  CA  UNL     1      -6.283   0.987  -1.010  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.874   0.739   0.355  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.100  -0.115   1.340  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.306   0.869  -0.032  1.00  0.00           C  
HETATM   27  C   UNL     1      -8.034   1.252   0.684  1.00  0.00           C  
HETATM   28  CA  UNL     1       0.746   0.016   0.629  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.068  -0.331  -1.708  1.00  0.00           C  
HETATM   30  C   UNL     1       0.444  -1.439   0.377  1.00  0.00           C  
HETATM   31  C   UNL     1       4.497   0.914  -1.083  1.00  0.00           C  
HETATM   32  C   UNL     1       5.501   0.017   0.949  1.00  0.00           C  
HETATM   33  C   UNL     1       8.182   1.500  -1.312  1.00  0.00           C  
HETATM   34  C   UNL     1      -0.451  -3.529   1.126  1.00  0.00           C  
HETATM   35  C   UNL     1       0.501  -3.346  -1.071  1.00  0.00           C  
HETATM   36  C   UNL     1      -0.115  -4.108  -0.089  1.00  0.00           C  
HETATM   37  C   UNL     1       8.409   0.489  -2.438  1.00  0.00           C  
HETATM   38  H   UNL     1       5.468   2.755  -0.550  1.00  0.00           H  
HETATM   39  H   UNL     1       5.831   2.180  -2.193  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.435  -1.745   2.301  1.00  0.00           H  
HETATM   41  H   UNL     1       1.265  -1.421  -1.597  1.00  0.00           H  
HETATM   42  HXT UNL     1      -6.875  -2.065  -2.217  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.257  -5.580  -0.706  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.113   2.565  -0.407  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.854   0.095   1.002  1.00  0.00           H  
HETATM   46  H   UNL     1       2.132   0.724  -0.816  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.912  -0.105  -0.756  1.00  0.00           H  
HETATM   48  HA  UNL     1      -2.354   1.731  -1.365  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.417   3.640   0.051  1.00  0.00           H  
HETATM   50  HA  UNL     1      -6.972   1.594  -1.597  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.034  -1.138   0.970  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.598  -0.103   2.310  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.576   1.859  -0.026  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.447   1.068   1.664  1.00  0.00           H  
HETATM   55  HA  UNL     1       0.746   0.206   1.702  1.00  0.00           H  
HETATM   56  H   UNL     1       3.579   1.455  -1.316  1.00  0.00           H  
HETATM   57  H   UNL     1       4.636   0.114  -1.810  1.00  0.00           H  
HETATM   58  H   UNL     1       8.176   2.508  -1.725  1.00  0.00           H  
HETATM   59  H   UNL     1       8.984   1.413  -0.579  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.930  -4.121   1.893  1.00  0.00           H  
HETATM   61  H   UNL     1       0.756  -3.792  -2.021  1.00  0.00           H  
HETATM   62  H   UNL     1       8.415  -0.520  -2.024  1.00  0.00           H  
HETATM   63  H   UNL     1       7.607   0.576  -3.171  1.00  0.00           H  
HETATM   64  H   UNL     1       9.365   0.690  -2.920  1.00  0.00           H  
CONECT    1   18   17   11   11                                       
CONECT    2   19   31   38   39                                       
CONECT    3   30   30   34   40                                       
CONECT    4   30   35   35   41                                       
CONECT    5   13   13   19   32                                       
CONECT    6   20   25                                                 
CONECT    7   22   22                                                 
CONECT    8   26   26                                                 
CONECT    9   29   29                                                 
CONECT   10   29   42                                                 
CONECT   11    1    1                                                 
CONECT   12   32   32                                                 
CONECT   13    5    5                                                 
CONECT   14   36   43                                                 
CONECT   15   20   23   44                                            
CONECT   16   21   26   45                                            
CONECT   17    1   28   46                                            
CONECT   18   32   31    1                                            
CONECT   19   33    5    2                                            
CONECT   20   21   15    6   47                                       
CONECT   21   22   20   16   48                                       
CONECT   22    7    7   21   49                                       
CONECT   23   15   29   24   50                                       
CONECT   24   23   27   27   25                                       
CONECT   25    6   24   51   52                                       
CONECT   26   16    8    8   28                                       
CONECT   27   24   24   53   54                                       
CONECT   28   26   17   30   55                                       
CONECT   29    9    9   23   10                                       
CONECT   30   28    3    3    4                                       
CONECT   31    2   18   56   57                                       
CONECT   32    5   12   12   18                                       
CONECT   33   37   19   58   59                                       
CONECT   34    3   36   36   60                                       
CONECT   35    4    4   36   61                                       
CONECT   36   34   34   35   14                                       
CONECT   37   33   62   63   64                                       
CONECT   38    2                                                      
CONECT   39    2                                                      
CONECT   40    3                                                      
CONECT   41    4                                                      
CONECT   42   10                                                      
CONECT   43   14                                                      
CONECT   44   15                                                      
CONECT   45   16                                                      
CONECT   46   17                                                      
CONECT   47   20                                                      
CONECT   48   21                                                      
CONECT   49   22                                                      
CONECT   50   23                                                      
CONECT   51   25                                                      
CONECT   52   25                                                      
CONECT   53   27                                                      
CONECT   54   27                                                      
CONECT   55   28                                                      
CONECT   56   31                                                      
CONECT   57   31                                                      
CONECT   58   33                                                      
CONECT   59   33                                                      
CONECT   60   34                                                      
CONECT   61   35                                                      
CONECT   62   37                                                      
CONECT   63   37                                                      
CONECT   64   37                                                      
MASTER        0    0    0    0    0    0    0    0   64    0   64    0
END
