COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       3.197  -0.210  -0.379  1.00  0.00           N  
HETATM    2  N   UNL     1      -1.393  -0.876   0.674  1.00  0.00           N  
HETATM    3  C   UNL     1       2.477  -1.332  -0.183  1.00  0.00           C  
HETATM    4  C   UNL     1       0.447  -0.069  -0.710  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.588   0.312   0.356  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.736  -0.842   0.569  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.402   0.363   0.065  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.868   1.653  -1.130  1.00  0.00           C  
HETATM    9  C   UNL     1       0.328  -2.484   0.036  1.00  0.00           C  
HETATM   10  C   UNL     1       5.175   3.437   0.315  1.00  0.00           C  
HETATM   11  O   UNL     1       4.702   2.102   0.497  1.00  0.00           O  
HETATM   12  C   UNL     1       5.217   1.167  -0.454  1.00  0.00           C  
HETATM   13  C   UNL     1       4.646  -0.222  -0.164  1.00  0.00           C  
HETATM   14  O   UNL     1       3.039  -2.376   0.084  1.00  0.00           O  
HETATM   15  N   UNL     1       1.133  -1.296  -0.282  1.00  0.00           N  
HETATM   16  O   UNL     1      -3.397  -1.812   0.892  1.00  0.00           O  
HETATM   17  C   UNL     1      -4.433   0.383  -0.832  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.225   2.638  -0.493  1.00  0.00           C  
HETATM   19  S   UNL     1      -3.007   2.014   0.525  1.00  0.00           S  
HETATM   20  C   UNL     1      -0.707  -2.103   1.102  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.389  -2.970  -1.225  1.00  0.00           C  
HETATM   22  H   UNL     1       2.757   0.605  -0.666  1.00  0.00           H  
HETATM   23  H   UNL     1      -0.055  -0.243  -1.662  1.00  0.00           H  
HETATM   24  H   UNL     1       1.173   0.736  -0.822  1.00  0.00           H  
HETATM   25  H   UNL     1      -1.235   1.100  -0.027  1.00  0.00           H  
HETATM   26  H   UNL     1      -0.077   0.658   1.254  1.00  0.00           H  
HETATM   27  H   UNL     1      -5.676   1.840  -1.822  1.00  0.00           H  
HETATM   28  H   UNL     1       0.975  -3.274   0.416  1.00  0.00           H  
HETATM   29  H   UNL     1       4.887   3.793  -0.674  1.00  0.00           H  
HETATM   30  H   UNL     1       4.739   4.085   1.075  1.00  0.00           H  
HETATM   31  H   UNL     1       6.261   3.453   0.404  1.00  0.00           H  
HETATM   32  H   UNL     1       4.929   1.476  -1.459  1.00  0.00           H  
HETATM   33  H   UNL     1       6.304   1.136  -0.380  1.00  0.00           H  
HETATM   34  H   UNL     1       4.858  -0.494   0.871  1.00  0.00           H  
HETATM   35  H   UNL     1       5.106  -0.951  -0.832  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.862  -0.509  -1.263  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.445   3.689  -0.611  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.205  -1.929   2.053  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.433  -2.909   1.211  1.00  0.00           H  
HETATM   40  H   UNL     1       0.348  -3.231  -1.985  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.990  -3.847  -0.986  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.036  -2.179  -1.604  1.00  0.00           H  
CONECT    1    3   13   22                                            
CONECT    2    6    5   20                                            
CONECT    3   15    1   14   14                                       
CONECT    4    5   15   23   24                                       
CONECT    5    2    4   25   26                                       
CONECT    6    7   16   16    2                                       
CONECT    7   19   17   17    6                                       
CONECT    8   18   18   17   27                                       
CONECT    9   20   15   21   28                                       
CONECT   10   11   29   30   31                                       
CONECT   11   12   10                                                 
CONECT   12   13   11   32   33                                       
CONECT   13    1   12   34   35                                       
CONECT   14    3    3                                                 
CONECT   15    4    9    3                                            
CONECT   16    6    6                                                 
CONECT   17    8    7    7   36                                       
CONECT   18   19    8    8   37                                       
CONECT   19   18    7                                                 
CONECT   20    2    9   38   39                                       
CONECT   21    9   40   41   42                                       
CONECT   22    1                                                      
CONECT   23    4                                                      
CONECT   24    4                                                      
CONECT   25    5                                                      
CONECT   26    5                                                      
CONECT   27    8                                                      
CONECT   28    9                                                      
CONECT   29   10                                                      
CONECT   30   10                                                      
CONECT   31   10                                                      
CONECT   32   12                                                      
CONECT   33   12                                                      
CONECT   34   13                                                      
CONECT   35   13                                                      
CONECT   36   17                                                      
CONECT   37   18                                                      
CONECT   38   20                                                      
CONECT   39   20                                                      
CONECT   40   21                                                      
CONECT   41   21                                                      
CONECT   42   21                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
