COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.481   1.304  -0.270  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.399   1.176   1.012  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.263   0.291  -0.121  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.243   0.848   0.702  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.596  -1.035   0.137  1.00  0.00           C  
HETATM    6  C   UNL     1       0.008   1.186   0.030  1.00  0.00           C  
HETATM    7  C   UNL     1       0.864   0.528  -1.021  1.00  0.00           C  
HETATM    8  C   UNL     1       2.277   0.401  -0.511  1.00  0.00           C  
HETATM    9  C   UNL     1       2.660  -0.733   0.182  1.00  0.00           C  
HETATM   10  C   UNL     1       3.955  -0.855   0.647  1.00  0.00           C  
HETATM   11  C   UNL     1       4.870   0.167   0.427  1.00  0.00           C  
HETATM   12  C   UNL     1       7.455  -0.211  -1.511  1.00  0.00           C  
HETATM   13  C   UNL     1       3.186   1.418  -0.736  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.154   2.046   0.805  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.913   1.009  -1.484  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.167   0.181  -1.187  1.00  0.00           C  
HETATM   17  C   UNL     1      -7.441   0.169   0.836  1.00  0.00           C  
HETATM   18  C   UNL     1      -8.818  -1.774   0.243  1.00  0.00           C  
HETATM   19  N   UNL     1       6.177   0.051   0.904  1.00  0.00           N  
HETATM   20  N   UNL     1      -1.301   1.405  -0.207  1.00  0.00           N  
HETATM   21  N   UNL     1      -4.046   0.936  -0.284  1.00  0.00           N  
HETATM   22  N   UNL     1      -9.787  -2.361   0.326  1.00  0.00           N  
HETATM   23  N   UNL     1      -6.605  -1.491  -0.620  1.00  0.00           N  
HETATM   24  N   UNL     1      -5.494  -0.859  -0.742  1.00  0.00           N  
HETATM   25  O   UNL     1       0.496   1.519   1.089  1.00  0.00           O  
HETATM   26  O   UNL     1       6.576  -2.192   0.046  1.00  0.00           O  
HETATM   27  O   UNL     1       8.451  -0.816   0.890  1.00  0.00           O  
HETATM   28  S   UNL     1       7.254  -0.946   0.135  1.00  0.00           S  
HETATM   29  H   UNL     1       5.190   2.100  -0.443  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.108   0.224   1.456  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.072   1.780   1.219  1.00  0.00           H  
HETATM   32  H   UNL     1       0.468  -0.462  -1.245  1.00  0.00           H  
HETATM   33  H   UNL     1       0.859   1.135  -1.926  1.00  0.00           H  
HETATM   34  H   UNL     1       1.947  -1.526   0.356  1.00  0.00           H  
HETATM   35  H   UNL     1       4.254  -1.741   1.188  1.00  0.00           H  
HETATM   36  H   UNL     1       7.922   0.769  -1.416  1.00  0.00           H  
HETATM   37  H   UNL     1       8.087  -0.856  -2.122  1.00  0.00           H  
HETATM   38  H   UNL     1       6.479  -0.105  -1.983  1.00  0.00           H  
HETATM   39  H   UNL     1       2.884   2.302  -1.278  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.452   3.035   0.459  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.206   0.410  -2.059  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.694  -0.028  -2.118  1.00  0.00           H  
HETATM   43  H   UNL     1      -8.233   0.556   1.461  1.00  0.00           H  
HETATM   44  H   UNL     1       6.455   0.554   1.685  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.094   1.690   1.677  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.607   2.132   1.744  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.184   1.899  -2.052  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.879  -0.758  -0.713  1.00  0.00           H  
CONECT    1   13   11   11   29                                       
CONECT    2   21   14   30   45                                       
CONECT    3    4    4   24   21                                       
CONECT    4   17    3    3   31                                       
CONECT    5   18   17   17   23                                       
CONECT    6   20    7   25   25                                       
CONECT    7    6    8   32   33                                       
CONECT    8    7   13   13    9                                       
CONECT    9    8   10   10   34                                       
CONECT   10    9    9   11   35                                       
CONECT   11    1    1   10   19                                       
CONECT   12   28   36   37   38                                       
CONECT   13    8    8    1   39                                       
CONECT   14    2   20   40   46                                       
CONECT   15   16   20   41   47                                       
CONECT   16   21   15   42   48                                       
CONECT   17    5    5    4   43                                       
CONECT   18   22   22   22    5                                       
CONECT   19   11   28   44                                            
CONECT   20   15   14    6                                            
CONECT   21    3   16    2                                            
CONECT   22   18   18   18                                            
CONECT   23    5   24   24                                            
CONECT   24   23   23    3                                            
CONECT   25    6    6                                                 
CONECT   26   28   28                                                 
CONECT   27   28   28                                                 
CONECT   28   27   27   19   12                                       
CONECT   28   26   26                                                 
CONECT   29    1                                                      
CONECT   30    2                                                      
CONECT   31    4                                                      
CONECT   32    7                                                      
CONECT   33    7                                                      
CONECT   34    9                                                      
CONECT   35   10                                                      
CONECT   36   12                                                      
CONECT   37   12                                                      
CONECT   38   12                                                      
CONECT   39   13                                                      
CONECT   40   14                                                      
CONECT   41   15                                                      
CONECT   42   16                                                      
CONECT   43   17                                                      
CONECT   44   19                                                      
CONECT   45    2                                                      
CONECT   46   14                                                      
CONECT   47   15                                                      
CONECT   48   16                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
