COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       2.980  -1.279   0.004  1.00  0.00           O  
HETATM    2  C   UNL     1       7.113  -1.985   0.001  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.300  -2.502   0.029  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.156  -1.575   0.016  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.367  -0.245   0.001  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.227   0.679  -0.013  1.00  0.00           C  
HETATM    7  C   UNL     1       1.957   1.169  -0.022  1.00  0.00           C  
HETATM    8  C   UNL     1       3.770  -0.356  -0.009  1.00  0.00           C  
HETATM    9  C   UNL     1       5.583  -1.984   0.005  1.00  0.00           C  
HETATM   10  N   UNL     1       5.095  -0.603  -0.010  1.00  0.00           N  
HETATM   11  C   UNL     1      -2.095  -3.889   0.045  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.204  -4.716   0.057  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.652   2.777  -0.033  1.00  0.00           C  
HETATM   14  N   UNL     1       3.322   0.915  -0.023  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.378   2.049  -0.028  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.611  -2.015   0.033  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.468  -4.153   0.054  1.00  0.00           C  
HETATM   18  S   UNL     1       1.229   2.772  -0.039  1.00  0.00           S  
HETATM   19  N   UNL     1      -1.905   3.976   0.590  1.00  0.00           N  
HETATM   20  C   UNL     1      -3.201   4.328   0.348  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.775   3.374  -0.417  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.811   2.386  -0.668  1.00  0.00           C  
HETATM   23  N   UNL     1       1.033   0.263  -0.005  1.00  0.00           N  
HETATM   24  N   UNL     1      -4.633  -2.844   0.051  1.00  0.00           N  
HETATM   25  H   UNL     1       7.475  -3.013   0.012  1.00  0.00           H  
HETATM   26  H   UNL     1       7.474  -1.482  -0.896  1.00  0.00           H  
HETATM   27  H   UNL     1       7.478  -1.461   0.884  1.00  0.00           H  
HETATM   28  H   UNL     1      -0.148  -1.962   0.018  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.376   0.142  -0.001  1.00  0.00           H  
HETATM   30  H   UNL     1       5.217  -2.508  -0.878  1.00  0.00           H  
HETATM   31  H   UNL     1       5.221  -2.487   0.902  1.00  0.00           H  
HETATM   32  H   UNL     1       5.726   0.134  -0.020  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.097  -4.302   0.046  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.084  -5.789   0.068  1.00  0.00           H  
HETATM   35  H   UNL     1       3.952   1.652  -0.033  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.786  -0.949   0.021  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.335  -4.797   0.063  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.268   4.486   1.115  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.687   5.222   0.709  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.794   3.373  -0.774  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.950   1.487  -1.250  1.00  0.00           H  
CONECT    1    8    8                                                 
CONECT    2    9   25   26   27                                       
CONECT    3   16   16   11    4                                       
CONECT    4    3    5    5   28                                       
CONECT    5    4    4    6   29                                       
CONECT    6   23    5   15   15                                       
CONECT    7   23   23   14   18                                       
CONECT    8   14   10    1    1                                       
CONECT    9   10    2   30   31                                       
CONECT   10    9    8   32                                            
CONECT   11   12   12    3   33                                       
CONECT   12   17   11   11   34                                       
CONECT   13   15   19   22   22                                       
CONECT   14    7    8   35                                            
CONECT   15    6    6   18   13                                       
CONECT   16   24    3    3   36                                       
CONECT   17   24   24   12   37                                       
CONECT   18    7   15                                                 
CONECT   19   13   20   38                                            
CONECT   20   19   21   21   39                                       
CONECT   21   22   20   20   40                                       
CONECT   22   13   13   21   41                                       
CONECT   23    6    7    7                                            
CONECT   24   17   17   16                                            
CONECT   25    2                                                      
CONECT   26    2                                                      
CONECT   27    2                                                      
CONECT   28    4                                                      
CONECT   29    5                                                      
CONECT   30    9                                                      
CONECT   31    9                                                      
CONECT   32   10                                                      
CONECT   33   11                                                      
CONECT   34   12                                                      
CONECT   35   14                                                      
CONECT   36   16                                                      
CONECT   37   17                                                      
CONECT   38   19                                                      
CONECT   39   20                                                      
CONECT   40   21                                                      
CONECT   41   22                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
