COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.107   1.793   0.097  1.00  0.00           C  
HETATM    2  N   UNL     1      -1.130   1.091  -1.272  1.00  0.00           N  
HETATM    3  C   UNL     1       2.542  -0.893  -0.582  1.00  0.00           C  
HETATM    4  C   UNL     1     -10.955  -0.864  -1.076  1.00  0.00           C  
HETATM    5  C   UNL     1     -10.970  -2.033  -0.337  1.00  0.00           C  
HETATM    6  C   UNL     1      -9.948  -2.306   0.554  1.00  0.00           C  
HETATM    7  C   UNL     1       3.864  -2.990  -0.236  1.00  0.00           C  
HETATM    8  C   UNL     1       6.132  -2.924   0.531  1.00  0.00           C  
HETATM    9  C   UNL     1       4.918  -0.886   0.206  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.766   0.725   0.124  1.00  0.00           C  
HETATM   11  C   UNL     1      -8.032   2.052   0.458  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.992   2.947   0.609  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.686   2.531   0.431  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.413   1.212   0.098  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.450   0.305  -0.050  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.155  -1.128  -0.411  1.00  0.00           C  
HETATM   17  C   UNL     1      -8.882  -0.239  -0.040  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.757   1.166  -0.135  1.00  0.00           C  
HETATM   19  C   UNL     1       0.128   0.161   0.158  1.00  0.00           C  
HETATM   20  C   UNL     1       3.810  -1.609  -0.193  1.00  0.00           C  
HETATM   21  C   UNL     1      -9.917   0.034  -0.932  1.00  0.00           C  
HETATM   22  C   UNL     1      -8.908  -1.413   0.711  1.00  0.00           C  
HETATM   23  C   UNL     1       5.025  -3.647   0.126  1.00  0.00           C  
HETATM   24  C   UNL     1       6.077  -1.544   0.573  1.00  0.00           C  
HETATM   25  C   UNL     1       7.281  -0.755   1.021  1.00  0.00           C  
HETATM   26  CA  UNL     1       9.307   0.328   0.256  1.00  0.00           C  
HETATM   27  C   UNL     1       8.958   1.793   0.318  1.00  0.00           C  
HETATM   28  C   UNL     1      10.424   0.112  -0.768  1.00  0.00           C  
HETATM   29  N   UNL     1      -0.004   0.492  -1.105  1.00  0.00           N  
HETATM   30  N   UNL     1       8.121  -0.442  -0.143  1.00  0.00           N  
HETATM   31  O   UNL     1      -4.127   0.807  -0.077  1.00  0.00           O  
HETATM   32  O   UNL     1      -0.980   0.581   0.798  1.00  0.00           O  
HETATM   33  O   UNL     1       7.837   2.158   0.056  1.00  0.00           O  
HETATM   34  O   UNL     1       9.893   2.691   0.663  1.00  0.00           O  
HETATM   35  O   UNL     1      10.026   0.657  -2.028  1.00  0.00           O  
HETATM   36  S   UNL     1       1.498  -0.677   0.881  1.00  0.00           S  
HETATM   37  H   UNL     1      -3.154   2.189   1.112  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.260   2.603  -0.616  1.00  0.00           H  
HETATM   39  H   UNL     1       2.790   0.083  -0.999  1.00  0.00           H  
HETATM   40  H   UNL     1       2.007  -1.481  -1.327  1.00  0.00           H  
HETATM   41  H   UNL     1     -11.756  -0.655  -1.771  1.00  0.00           H  
HETATM   42  H   UNL     1     -11.782  -2.735  -0.456  1.00  0.00           H  
HETATM   43  H   UNL     1      -9.965  -3.221   1.129  1.00  0.00           H  
HETATM   44  H   UNL     1       2.999  -3.555  -0.548  1.00  0.00           H  
HETATM   45  H   UNL     1       7.037  -3.438   0.818  1.00  0.00           H  
HETATM   46  H   UNL     1       4.876   0.193   0.238  1.00  0.00           H  
HETATM   47  H   UNL     1      -9.052   2.380   0.598  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.200   3.974   0.868  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.876   3.235   0.550  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.112  -1.730   0.496  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.943  -1.508  -1.062  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.198  -1.182  -0.930  1.00  0.00           H  
HETATM   53  H   UNL     1      -9.902   0.942  -1.516  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.108  -1.630   1.403  1.00  0.00           H  
HETATM   55  H   UNL     1       5.068  -4.726   0.093  1.00  0.00           H  
HETATM   56  H   UNL     1       6.954   0.171   1.493  1.00  0.00           H  
HETATM   57  H   UNL     1       7.856  -1.344   1.735  1.00  0.00           H  
HETATM   58  HA  UNL     1       9.644  -0.007   1.237  1.00  0.00           H  
HETATM   59  H1  UNL     1      11.331   0.611  -0.427  1.00  0.00           H  
HETATM   60  H2  UNL     1      10.615  -0.955  -0.877  1.00  0.00           H  
HETATM   61  H   UNL     1       7.593   0.049  -0.849  1.00  0.00           H  
HETATM   62  H   UNL     1       9.622   3.619   0.689  1.00  0.00           H  
HETATM   63  H   UNL     1      10.687   0.555  -2.726  1.00  0.00           H  
CONECT    1   18   31   37   38                                       
CONECT    2   29   18   18                                            
CONECT    3   20   36   39   40                                       
CONECT    4   21   21    5   41                                       
CONECT    5    6    6    4   42                                       
CONECT    6   22    5    5   43                                       
CONECT    7   23   23   20   44                                       
CONECT    8   23   24   24   45                                       
CONECT    9   20   20   24   46                                       
CONECT   10   15   15   11   17                                       
CONECT   11   12   12   10   47                                       
CONECT   12   13   11   11   48                                       
CONECT   13   14   14   12   49                                       
CONECT   14   31   13   13   15                                       
CONECT   15   14   16   10   10                                       
CONECT   16   15   50   51   52                                       
CONECT   17   10   22   22   21                                       
CONECT   18    2    2   32    1                                       
CONECT   19   29   29   36   32                                       
CONECT   20    7    3    9    9                                       
CONECT   21   17    4    4   53                                       
CONECT   22   17   17    6   54                                       
CONECT   23    7    7    8   55                                       
CONECT   24    8    8    9   25                                       
CONECT   25   24   30   56   57                                       
CONECT   26   28   27   30   58                                       
CONECT   27   26   33   33   34                                       
CONECT   28   35   26   59   60                                       
CONECT   29    2   19   19                                            
CONECT   30   26   25   61                                            
CONECT   31    1   14                                                 
CONECT   32   19   18                                                 
CONECT   33   27   27                                                 
CONECT   34   27   62                                                 
CONECT   35   28   63                                                 
CONECT   36    3   19                                                 
CONECT   37    1                                                      
CONECT   38    1                                                      
CONECT   39    3                                                      
CONECT   40    3                                                      
CONECT   41    4                                                      
CONECT   42    5                                                      
CONECT   43    6                                                      
CONECT   44    7                                                      
CONECT   45    8                                                      
CONECT   46    9                                                      
CONECT   47   11                                                      
CONECT   48   12                                                      
CONECT   49   13                                                      
CONECT   50   16                                                      
CONECT   51   16                                                      
CONECT   52   16                                                      
CONECT   53   21                                                      
CONECT   54   22                                                      
CONECT   55   23                                                      
CONECT   56   25                                                      
CONECT   57   25                                                      
CONECT   58   26                                                      
CONECT   59   28                                                      
CONECT   60   28                                                      
CONECT   61   30                                                      
CONECT   62   34                                                      
CONECT   63   35                                                      
MASTER        0    0    0    0    0    0    0    0   63    0   63    0
END
