COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.550   2.624  -0.868  1.00  0.00           C  
HETATM    2  N   UNL     1      -1.742  -1.394  -0.148  1.00  0.00           N  
HETATM    3  O   UNL     1      -1.441   0.590  -0.887  1.00  0.00           O  
HETATM    4  S   UNL     1       1.192   2.543  -0.767  1.00  0.00           S  
HETATM    5  C   UNL     1      -5.021   1.459  -0.036  1.00  0.00           C  
HETATM    6  N   UNL     1      -0.535  -1.058   0.145  1.00  0.00           N  
HETATM    7  O   UNL     1       2.118  -0.789   0.992  1.00  0.00           O  
HETATM    8  C   UNL     1      -4.665   0.119  -0.224  1.00  0.00           C  
HETATM    9  N   UNL     1       2.484  -4.658  -0.545  1.00  0.00           N  
HETATM   10  C   UNL     1      -3.744  -0.412  -1.293  1.00  0.00           C  
HETATM   11  N   UNL     1      -6.019   0.230   1.485  1.00  0.00           N  
HETATM   12  C   UNL     1      -2.328  -0.416  -0.778  1.00  0.00           C  
HETATM   13  N   UNL     1      -5.830   1.527   0.990  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.307   0.162  -0.293  1.00  0.00           C  
HETATM   15  C   UNL     1       0.946   0.916  -0.162  1.00  0.00           C  
HETATM   16  C   UNL     1       2.050   0.451   0.437  1.00  0.00           C  
HETATM   17  C   UNL     1       2.553  -1.855   0.146  1.00  0.00           C  
HETATM   18  C   UNL     1       3.269  -2.916   0.987  1.00  0.00           C  
HETATM   19  C   UNL     1       3.679  -4.083   0.087  1.00  0.00           C  
HETATM   20  C   UNL     1       1.806  -3.672  -1.395  1.00  0.00           C  
HETATM   21  C   UNL     1       1.341  -2.492  -0.539  1.00  0.00           C  
HETATM   22  C   UNL     1       3.168   1.378   0.445  1.00  0.00           C  
HETATM   23  C   UNL     1       4.463   1.210   0.985  1.00  0.00           C  
HETATM   24  C   UNL     1       5.384   2.207   0.892  1.00  0.00           C  
HETATM   25  C   UNL     1       5.067   3.406   0.266  1.00  0.00           C  
HETATM   26  C   UNL     1       3.815   3.597  -0.269  1.00  0.00           C  
HETATM   27  C   UNL     1       2.852   2.586  -0.186  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.294  -0.615   0.723  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.201  -2.109   0.895  1.00  0.00           C  
HETATM   30  H   UNL     1      -5.239   2.780  -1.699  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.516   3.521  -0.251  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.554   2.412  -1.258  1.00  0.00           H  
HETATM   33  H   UNL     1       1.854  -5.033   0.148  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.039  -1.428  -1.554  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.808   0.223  -2.176  1.00  0.00           H  
HETATM   36  H   UNL     1       3.237  -1.466  -0.608  1.00  0.00           H  
HETATM   37  H   UNL     1       4.158  -2.479   1.444  1.00  0.00           H  
HETATM   38  H   UNL     1       2.599  -3.275   1.768  1.00  0.00           H  
HETATM   39  H   UNL     1       4.176  -4.847   0.685  1.00  0.00           H  
HETATM   40  H   UNL     1       4.360  -3.725  -0.685  1.00  0.00           H  
HETATM   41  H   UNL     1       2.497  -3.316  -2.160  1.00  0.00           H  
HETATM   42  H   UNL     1       0.943  -4.136  -1.873  1.00  0.00           H  
HETATM   43  H   UNL     1       0.640  -2.845   0.217  1.00  0.00           H  
HETATM   44  H   UNL     1       0.851  -1.753  -1.173  1.00  0.00           H  
HETATM   45  H   UNL     1       4.724   0.284   1.475  1.00  0.00           H  
HETATM   46  H   UNL     1       6.370   2.066   1.309  1.00  0.00           H  
HETATM   47  H   UNL     1       5.806   4.190   0.198  1.00  0.00           H  
HETATM   48  H   UNL     1       3.574   4.531  -0.754  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.983  -2.592   0.308  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.225  -2.455   0.553  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.328  -2.363   1.947  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.573  -0.017   2.242  1.00  0.00           H  
CONECT    1    5   30   31   32                                       
CONECT    2   12   12    6                                            
CONECT    3   12   14                                                 
CONECT    4   15   27                                                 
CONECT    5    1   13   13    8                                       
CONECT    6    2   14   14                                            
CONECT    7   17   16                                                 
CONECT    8    5   28   28   10                                       
CONECT    9   20   19   33                                            
CONECT   10    8   12   34   35                                       
CONECT   11   28   13   52                                            
CONECT   12    2    2    3   10                                       
CONECT   13    5    5   11                                            
CONECT   14    3    6    6   15                                       
CONECT   15    4   14   16   16                                       
CONECT   16    7   15   15   22                                       
CONECT   17    7   21   18   36                                       
CONECT   18   17   19   37   38                                       
CONECT   19    9   18   39   40                                       
CONECT   20    9   21   41   42                                       
CONECT   21   17   20   43   44                                       
CONECT   22   16   27   27   23                                       
CONECT   23   22   24   24   45                                       
CONECT   24   23   23   25   46                                       
CONECT   25   24   26   26   47                                       
CONECT   26   25   25   27   48                                       
CONECT   27    4   22   22   26                                       
CONECT   28    8    8   11   29                                       
CONECT   29   28   49   50   51                                       
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    9                                                      
CONECT   34   10                                                      
CONECT   35   10                                                      
CONECT   36   17                                                      
CONECT   37   18                                                      
CONECT   38   18                                                      
CONECT   39   19                                                      
CONECT   40   19                                                      
CONECT   41   20                                                      
CONECT   42   20                                                      
CONECT   43   21                                                      
CONECT   44   21                                                      
CONECT   45   23                                                      
CONECT   46   24                                                      
CONECT   47   25                                                      
CONECT   48   26                                                      
CONECT   49   29                                                      
CONECT   50   29                                                      
CONECT   51   29                                                      
CONECT   52   11                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
