COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.618   0.327   1.150  1.00  0.00           C  
HETATM    2  C   UNL     1       4.313   0.541  -0.053  1.00  0.00           C  
HETATM    3  C   UNL     1       3.023  -1.103  -1.128  1.00  0.00           C  
HETATM    4  C   UNL     1       0.392  -4.489   0.069  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.098  -2.024   0.056  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.637  -0.656   0.052  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.030  -0.447   0.071  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.511   0.830   0.067  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.280   1.632   0.028  1.00  0.00           C  
HETATM   10  C   UNL     1       0.360   2.888   0.011  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.654   3.864   0.008  1.00  0.00           C  
HETATM   12  C   UNL     1       1.772   3.125  -0.007  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.808  -0.058  -0.003  1.00  0.00           C  
HETATM   14  N   UNL     1       2.892   3.313  -0.022  1.00  0.00           N  
HETATM   15  N   UNL     1      -1.815   3.264   0.030  1.00  0.00           N  
HETATM   16  N   UNL     1      -1.626   1.878   0.045  1.00  0.00           N  
HETATM   17  N   UNL     1      -3.870   1.064   0.085  1.00  0.00           N  
HETATM   18  C   UNL     1      -6.241   0.180   0.478  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.948   0.052  -1.018  1.00  0.00           C  
HETATM   20  N   UNL     1       0.190   0.387   0.037  1.00  0.00           N  
HETATM   21  S   UNL     1      -1.058  -3.497   0.082  1.00  0.00           S  
HETATM   22  C   UNL     1       1.480  -3.718   0.053  1.00  0.00           C  
HETATM   23  C   UNL     1       1.236  -2.352   0.050  1.00  0.00           C  
HETATM   24  C   UNL     1       2.316  -1.338   0.029  1.00  0.00           C  
HETATM   25  C   UNL     1       2.628  -0.607   1.197  1.00  0.00           C  
HETATM   26  N   UNL     1       4.006  -0.169  -1.154  1.00  0.00           N  
HETATM   27  O   UNL     1       5.201   1.378  -0.099  1.00  0.00           O  
HETATM   28  H   UNL     1       3.870   0.896   2.033  1.00  0.00           H  
HETATM   29  H   UNL     1       2.788  -1.660  -2.023  1.00  0.00           H  
HETATM   30  H   UNL     1       0.401  -5.569   0.078  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.708  -1.288   0.087  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.499   4.932  -0.003  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.378  -1.045   0.165  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.205   1.972   0.155  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.753  -0.651   0.964  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.485   1.171   0.861  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.000   0.960  -1.620  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.268  -0.862  -1.517  1.00  0.00           H  
HETATM   39  H   UNL     1       2.480  -4.127   0.043  1.00  0.00           H  
HETATM   40  H   UNL     1       2.088  -0.786   2.115  1.00  0.00           H  
HETATM   41  H   UNL     1       4.495  -0.010  -1.977  1.00  0.00           H  
CONECT    1    2   25   25   28                                       
CONECT    2   27   27    1   26                                       
CONECT    3   26   24   24   29                                       
CONECT    4   22   22   21   30                                       
CONECT    5   23   23    6   21                                       
CONECT    6   20   20    5    7                                       
CONECT    7    6    8    8   31                                       
CONECT    8   16    7    7   17                                       
CONECT    9   10   10   20   16                                       
CONECT   10   12   11    9    9                                       
CONECT   11   10   15   15   32                                       
CONECT   12   14   14   14   10                                       
CONECT   13   17   18   19   33                                       
CONECT   14   12   12   12                                            
CONECT   15   11   11   16                                            
CONECT   16    9   15    8                                            
CONECT   17    8   13   34                                            
CONECT   18   13   19   35   36                                       
CONECT   19   13   18   37   38                                       
CONECT   20    9    6    6                                            
CONECT   21    5    4                                                 
CONECT   22   23    4    4   39                                       
CONECT   23   24    5    5   22                                       
CONECT   24   25    3    3   23                                       
CONECT   25    1    1   24   40                                       
CONECT   26    2    3   41                                            
CONECT   27    2    2                                                 
CONECT   28    1                                                      
CONECT   29    3                                                      
CONECT   30    4                                                      
CONECT   31    7                                                      
CONECT   32   11                                                      
CONECT   33   13                                                      
CONECT   34   17                                                      
CONECT   35   18                                                      
CONECT   36   18                                                      
CONECT   37   19                                                      
CONECT   38   19                                                      
CONECT   39   22                                                      
CONECT   40   25                                                      
CONECT   41   26                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
