COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       2.047  -1.579   1.346  1.00  0.00           O  
HETATM    2  C   UNL     1       1.508  -0.503   1.141  1.00  0.00           C  
HETATM    3  C   UNL     1       0.149  -0.445   0.767  1.00  0.00           C  
HETATM    4  N   UNL     1      -0.813  -1.402   0.557  1.00  0.00           N  
HETATM    5  C   UNL     1      -0.603  -2.846   0.692  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.019  -0.800   0.196  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.327  -1.169  -0.140  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.154  -0.170  -0.419  1.00  0.00           C  
HETATM    9  S   UNL     1      -5.847  -0.361  -0.869  1.00  0.00           S  
HETATM   10  C   UNL     1      -6.702  -0.313   0.729  1.00  0.00           C  
HETATM   11  O   UNL     1      -6.122   0.833  -1.590  1.00  0.00           O  
HETATM   12  S   UNL     1      -3.322   1.370  -0.275  1.00  0.00           S  
HETATM   13  C   UNL     1      -1.825   0.563   0.176  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.429   0.808   0.543  1.00  0.00           C  
HETATM   15  C   UNL     1       0.352   1.977   0.693  1.00  0.00           C  
HETATM   16  N   UNL     1       1.605   1.884   1.039  1.00  0.00           N  
HETATM   17  N   UNL     1       2.205   0.644   1.276  1.00  0.00           N  
HETATM   18  C   UNL     1       3.615   0.589   1.670  1.00  0.00           C  
HETATM   19  C   UNL     1       4.478   0.500   0.437  1.00  0.00           C  
HETATM   20  C   UNL     1       4.808  -0.735  -0.085  1.00  0.00           C  
HETATM   21  C   UNL     1       4.932   1.655  -0.172  1.00  0.00           C  
HETATM   22  C   UNL     1       5.723   1.577  -1.304  1.00  0.00           C  
HETATM   23  C   UNL     1       6.062   0.346  -1.829  1.00  0.00           C  
HETATM   24  C   UNL     1       5.599  -0.816  -1.225  1.00  0.00           C  
HETATM   25  N   UNL     1       5.939  -2.063  -1.753  1.00  0.00           N  
HETATM   26  H   UNL     1      -0.281  -3.257  -0.265  1.00  0.00           H  
HETATM   27  H   UNL     1       0.163  -3.033   1.444  1.00  0.00           H  
HETATM   28  H   UNL     1      -1.536  -3.322   0.996  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.642  -2.202  -0.171  1.00  0.00           H  
HETATM   30  H   UNL     1      -6.504   0.641   1.219  1.00  0.00           H  
HETATM   31  H   UNL     1      -7.775  -0.424   0.571  1.00  0.00           H  
HETATM   32  H   UNL     1      -6.342  -1.126   1.359  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.089   2.947   0.520  1.00  0.00           H  
HETATM   34  H   UNL     1       3.872   1.488   2.229  1.00  0.00           H  
HETATM   35  H   UNL     1       3.783  -0.288   2.295  1.00  0.00           H  
HETATM   36  H   UNL     1       4.453  -1.637   0.392  1.00  0.00           H  
HETATM   37  H   UNL     1       4.669   2.619   0.236  1.00  0.00           H  
HETATM   38  H   UNL     1       6.077   2.481  -1.778  1.00  0.00           H  
HETATM   39  H   UNL     1       6.680   0.286  -2.713  1.00  0.00           H  
HETATM   40  H   UNL     1       6.500  -2.119  -2.543  1.00  0.00           H  
HETATM   41  H   UNL     1       5.615  -2.874  -1.330  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   17                                       
CONECT    3    4    2   14   14                                       
CONECT    4    5    6    3                                            
CONECT    5    4   26   27   28                                       
CONECT    6    7    4   13   13                                       
CONECT    7    6    8    8   29                                       
CONECT    8    7    7    9   12                                       
CONECT    9   11   11    8   10                                       
CONECT   10    9   30   31   32                                       
CONECT   11    9    9                                                 
CONECT   12    8   13                                                 
CONECT   13    6    6   12   14                                       
CONECT   14    3    3   13   15                                       
CONECT   15   14   16   16   33                                       
CONECT   16   17   15   15                                            
CONECT   17    2   18   16                                            
CONECT   18   19   17   34   35                                       
CONECT   19   20   20   21   18                                       
CONECT   20   24   19   19   36                                       
CONECT   21   22   22   19   37                                       
CONECT   22   23   21   21   38                                       
CONECT   23   24   24   22   39                                       
CONECT   24   25   23   23   20                                       
CONECT   25   24   40   41                                            
CONECT   26    5                                                      
CONECT   27    5                                                      
CONECT   28    5                                                      
CONECT   29    7                                                      
CONECT   30   10                                                      
CONECT   31   10                                                      
CONECT   32   10                                                      
CONECT   33   15                                                      
CONECT   34   18                                                      
CONECT   35   18                                                      
CONECT   36   20                                                      
CONECT   37   21                                                      
CONECT   38   22                                                      
CONECT   39   23                                                      
CONECT   40   25                                                      
CONECT   41   25                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
