COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.308   1.574   1.195  1.00  0.00           N  
HETATM    2  N   UNL     1      -1.076   2.119   2.232  1.00  0.00           N  
HETATM    3  N   UNL     1      -2.108   1.374   2.424  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.947   0.455   0.777  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.090   0.341   1.561  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.095  -0.721   1.470  1.00  0.00           C  
HETATM    7  O   UNL     1      -2.971  -1.606   0.645  1.00  0.00           O  
HETATM    8  O   UNL     1      -4.158  -0.718   2.301  1.00  0.00           O  
HETATM    9  S   UNL     1      -0.435  -0.635  -0.508  1.00  0.00           S  
HETATM   10  C   UNL     1       3.766  -0.547   4.823  1.00  0.00           C  
HETATM   11  C   UNL     1       2.697  -0.022   3.863  1.00  0.00           C  
HETATM   12  C   UNL     1       2.998  -0.514   2.446  1.00  0.00           C  
HETATM   13  C   UNL     1       1.929   0.009   1.486  1.00  0.00           C  
HETATM   14  C   UNL     1       2.230  -0.481   0.069  1.00  0.00           C  
HETATM   15  C   UNL     1       1.183   0.074  -0.897  1.00  0.00           C  
HETATM   16  C   UNL     1       1.568  -0.290  -2.332  1.00  0.00           C  
HETATM   17  C   UNL     1       0.521   0.266  -3.299  1.00  0.00           C  
HETATM   18  C   UNL     1       0.906  -0.098  -4.734  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.140   0.458  -5.700  1.00  0.00           C  
HETATM   20  C   UNL     1       0.244   0.094  -7.135  1.00  0.00           C  
HETATM   21  H   UNL     1       0.522   1.931   0.842  1.00  0.00           H  
HETATM   22  H   UNL     1      -4.821  -1.420   2.241  1.00  0.00           H  
HETATM   23  H   UNL     1       3.552  -0.197   5.833  1.00  0.00           H  
HETATM   24  H   UNL     1       3.765  -1.637   4.809  1.00  0.00           H  
HETATM   25  H   UNL     1       4.745  -0.181   4.512  1.00  0.00           H  
HETATM   26  H   UNL     1       1.718  -0.388   4.174  1.00  0.00           H  
HETATM   27  H   UNL     1       2.699   1.067   3.877  1.00  0.00           H  
HETATM   28  H   UNL     1       3.977  -0.148   2.135  1.00  0.00           H  
HETATM   29  H   UNL     1       2.996  -1.604   2.431  1.00  0.00           H  
HETATM   30  H   UNL     1       0.950  -0.356   1.797  1.00  0.00           H  
HETATM   31  H   UNL     1       1.930   1.099   1.500  1.00  0.00           H  
HETATM   32  H   UNL     1       3.220  -0.139  -0.231  1.00  0.00           H  
HETATM   33  H   UNL     1       2.200  -1.571   0.048  1.00  0.00           H  
HETATM   34  H   UNL     1       1.137   1.159  -0.798  1.00  0.00           H  
HETATM   35  H   UNL     1       2.543   0.137  -2.566  1.00  0.00           H  
HETATM   36  H   UNL     1       1.614  -1.374  -2.431  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.453  -0.161  -3.064  1.00  0.00           H  
HETATM   38  H   UNL     1       0.475   1.351  -3.199  1.00  0.00           H  
HETATM   39  H   UNL     1       1.881   0.329  -4.968  1.00  0.00           H  
HETATM   40  H   UNL     1       0.952  -1.182  -4.833  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.115   0.030  -5.466  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.186   1.543  -5.601  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.501   0.490  -7.824  1.00  0.00           H  
HETATM   44  H   UNL     1       1.219   0.521  -7.370  1.00  0.00           H  
HETATM   45  H   UNL     1       0.290  -0.990  -7.234  1.00  0.00           H  
CONECT    1    2    4   21                                            
CONECT    2    1    3    3                                            
CONECT    3    2    2    5                                            
CONECT    4    1    5    5    9                                       
CONECT    5    3    4    4    6                                       
CONECT    6    5    7    7    8                                       
CONECT    7    6    6                                                 
CONECT    8    6   22                                                 
CONECT    9    4   15                                                 
CONECT   10   11   23   24   25                                       
CONECT   11   10   12   26   27                                       
CONECT   12   11   13   28   29                                       
CONECT   13   12   14   30   31                                       
CONECT   14   13   15   32   33                                       
CONECT   15    9   14   16   34                                       
CONECT   16   15   17   35   36                                       
CONECT   17   16   18   37   38                                       
CONECT   18   17   19   39   40                                       
CONECT   19   18   20   41   42                                       
CONECT   20   19   43   44   45                                       
CONECT   21    1                                                      
CONECT   22    8                                                      
CONECT   23   10                                                      
CONECT   24   10                                                      
CONECT   25   10                                                      
CONECT   26   11                                                      
CONECT   27   11                                                      
CONECT   28   12                                                      
CONECT   29   12                                                      
CONECT   30   13                                                      
CONECT   31   13                                                      
CONECT   32   14                                                      
CONECT   33   14                                                      
CONECT   34   15                                                      
CONECT   35   16                                                      
CONECT   36   16                                                      
CONECT   37   17                                                      
CONECT   38   17                                                      
CONECT   39   18                                                      
CONECT   40   18                                                      
CONECT   41   19                                                      
CONECT   42   19                                                      
CONECT   43   20                                                      
CONECT   44   20                                                      
CONECT   45   20                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
