COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.576  -0.808   0.132  1.00  0.00           C  
HETATM    2  C   UNL     1       3.140  -0.279   1.278  1.00  0.00           C  
HETATM    3  C   UNL     1       4.353   0.380   1.210  1.00  0.00           C  
HETATM    4  O   UNL     1       6.595   2.221   1.031  1.00  0.00           O  
HETATM    5  C   UNL     1      -2.810   0.363  -0.125  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.395  -0.273  -0.061  1.00  0.00           C  
HETATM    7  O   UNL     1       6.685   1.802  -1.431  1.00  0.00           O  
HETATM    8  S   UNL     1       6.549   1.351  -0.091  1.00  0.00           S  
HETATM    9  N   UNL     1       7.735   0.220   0.145  1.00  0.00           N  
HETATM   10  C   UNL     1       5.003   0.510  -0.004  1.00  0.00           C  
HETATM   11  C   UNL     1       4.439  -0.021  -1.149  1.00  0.00           C  
HETATM   12  C   UNL     1       3.225  -0.679  -1.082  1.00  0.00           C  
HETATM   13 SE   UNL     1       0.860  -1.750   0.230  1.00  0.00          Se  
HETATM   14  C   UNL     1      -1.828  -0.806  -0.022  1.00  0.00           C  
HETATM   15  O   UNL     1      -2.034  -1.699  -1.119  1.00  0.00           O  
HETATM   16  H   UNL     1       2.633  -0.380   2.226  1.00  0.00           H  
HETATM   17  H   UNL     1       4.793   0.795   2.105  1.00  0.00           H  
HETATM   18  H   UNL     1      -2.594   1.088   0.660  1.00  0.00           H  
HETATM   19  H   UNL     1      -2.706   0.840  -1.099  1.00  0.00           H  
HETATM   20  H   UNL     1      -0.263   0.475   0.721  1.00  0.00           H  
HETATM   21  H   UNL     1      -0.202   0.181  -1.033  1.00  0.00           H  
HETATM   22  H   UNL     1       8.053   0.030   1.042  1.00  0.00           H  
HETATM   23  H   UNL     1       8.113  -0.252  -0.614  1.00  0.00           H  
HETATM   24  H   UNL     1       4.947   0.079  -2.097  1.00  0.00           H  
HETATM   25  H   UNL     1       2.785  -1.093  -1.977  1.00  0.00           H  
HETATM   26  H   UNL     1      -1.993  -1.338   0.915  1.00  0.00           H  
HETATM   27  H   UNL     1      -1.905  -1.293  -1.987  1.00  0.00           H  
HETATM   28 SE   UNL     1      -4.642  -0.302   0.086  1.00  0.00          Se  
HETATM   29  C   UNL     1      -5.665   1.361  -0.084  1.00  0.00           C  
HETATM   30  C   UNL     1      -7.158   1.057   0.054  1.00  0.00           C  
HETATM   31  C   UNL     1      -7.957   2.355  -0.078  1.00  0.00           C  
HETATM   32  C   UNL     1      -9.450   2.052   0.060  1.00  0.00           C  
HETATM   33  H   UNL     1      -5.362   2.056   0.699  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.474   1.808  -1.060  1.00  0.00           H  
HETATM   35  H   UNL     1      -7.462   0.363  -0.729  1.00  0.00           H  
HETATM   36  H   UNL     1      -7.350   0.611   1.030  1.00  0.00           H  
HETATM   37  H   UNL     1      -7.654   3.050   0.705  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.766   2.802  -1.054  1.00  0.00           H  
HETATM   39  H   UNL     1      -9.753   1.357  -0.724  1.00  0.00           H  
HETATM   40  H   UNL     1      -9.642   1.605   1.035  1.00  0.00           H  
HETATM   41  H   UNL     1     -10.019   2.977  -0.035  1.00  0.00           H  
CONECT    1   13    2    2   12                                       
CONECT    2    1    1    3   16                                       
CONECT    3    2   10   10   17                                       
CONECT    4    8    8                                                 
CONECT    5   14   18   19   28                                       
CONECT    6   14   13   20   21                                       
CONECT    7    8    8                                                 
CONECT    8   10    9    7    7                                       
CONECT    8    4    4                                                 
CONECT    9    8   22   23                                            
CONECT   10    3    3   11    8                                       
CONECT   11   12   12   10   24                                       
CONECT   12    1   11   11   25                                       
CONECT   13    6    1                                                 
CONECT   14    5   15    6   26                                       
CONECT   15   14   27                                                 
CONECT   16    2                                                      
CONECT   17    3                                                      
CONECT   18    5                                                      
CONECT   19    5                                                      
CONECT   20    6                                                      
CONECT   21    6                                                      
CONECT   22    9                                                      
CONECT   23    9                                                      
CONECT   24   11                                                      
CONECT   25   12                                                      
CONECT   26   14                                                      
CONECT   27   15                                                      
CONECT   28    5   29                                                 
CONECT   29   28   30   33   34                                       
CONECT   30   29   31   35   36                                       
CONECT   31   30   32   37   38                                       
CONECT   32   31   39   40   41                                       
CONECT   33   29                                                      
CONECT   34   29                                                      
CONECT   35   30                                                      
CONECT   36   30                                                      
CONECT   37   31                                                      
CONECT   38   31                                                      
CONECT   39   32                                                      
CONECT   40   32                                                      
CONECT   41   32                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
