COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNK     1       3.912   0.022   0.540  1.00  0.00           C  
HETATM    2  C   UNK     1       4.468  -1.194   0.111  1.00  0.00           C  
HETATM    3  C   UNK     1       5.805  -1.472   0.422  1.00  0.00           C  
HETATM    4  N   UNK     1       6.493  -0.568   1.114  1.00  0.00           N  
HETATM    5  C   UNK     1       3.398  -1.899  -0.611  1.00  0.00           C  
HETATM    6  C   UNK     1       2.305  -1.085  -0.567  1.00  0.00           C  
HETATM    7  N   UNK     1       4.682   0.866   1.225  1.00  0.00           N  
HETATM    8  O   UNK     1      -8.467  -1.096   1.023  1.00  0.00           O  
HETATM    9  C   UNK     1      -7.540  -1.597   0.432  1.00  0.00           C  
HETATM   10  O   UNK     1      -7.337  -2.922   0.502  1.00  0.00           O  
HETATM   11  C   UNK     1      -6.611  -0.734  -0.383  1.00  0.00           C  
HETATM   12  N   UNK     1      -7.275   0.538  -0.699  1.00  0.00           N  
HETATM   13  C   UNK     1      -5.337  -0.458   0.418  1.00  0.00           C  
HETATM   14  C   UNK     1      -4.343   0.312  -0.454  1.00  0.00           C  
HETATM   15  S   UNK     1      -2.832   0.639   0.496  1.00  0.00           S  
HETATM   16  C   UNK     1      -1.795   1.543  -0.686  1.00  0.00           C  
HETATM   17  C   UNK     1      -0.461   1.898  -0.026  1.00  0.00           C  
HETATM   18  C   UNK     1       0.405   2.744  -0.986  1.00  0.00           C  
HETATM   19  O   UNK     1       0.290   4.133  -0.671  1.00  0.00           O  
HETATM   20  C   UNK     1       1.845   2.245  -0.730  1.00  0.00           C  
HETATM   21  O   UNK     1       2.667   3.310  -0.248  1.00  0.00           O  
HETATM   22  O   UNK     1       0.313   0.703   0.217  1.00  0.00           O  
HETATM   23  C   UNK     1       1.678   1.157   0.354  1.00  0.00           C  
HETATM   24  N   UNK     1       2.610   0.052   0.114  1.00  0.00           N  
HETATM   25  C   UNK     1       5.933   0.563   1.500  1.00  0.00           C  
HETATM   26  C   UNK     1       3.486  -3.185  -1.236  1.00  0.00           C  
HETATM   27  N   UNK     1       3.556  -4.205  -1.731  1.00  0.00           N  
HETATM   28  N   UNK     1       6.394  -2.658   0.019  1.00  0.00           N  
HETATM   29  H   UNK     1       1.345  -1.308  -1.007  1.00  0.00           H  
HETATM   30  H   UNK     1      -7.959  -3.434   1.036  1.00  0.00           H  
HETATM   31  H   UNK     1      -6.354  -1.250  -1.308  1.00  0.00           H  
HETATM   32  H   UNK     1      -8.085   0.387  -1.282  1.00  0.00           H  
HETATM   33  H   UNK     1      -7.524   1.035   0.143  1.00  0.00           H  
HETATM   34  H   UNK     1      -5.583   0.135   1.299  1.00  0.00           H  
HETATM   35  H   UNK     1      -4.891  -1.403   0.729  1.00  0.00           H  
HETATM   36  H   UNK     1      -4.097  -0.281  -1.335  1.00  0.00           H  
HETATM   37  H   UNK     1      -4.788   1.257  -0.764  1.00  0.00           H  
HETATM   38  H   UNK     1      -1.613   0.919  -1.561  1.00  0.00           H  
HETATM   39  H   UNK     1      -2.304   2.457  -0.991  1.00  0.00           H  
HETATM   40  H   UNK     1      -0.631   2.437   0.906  1.00  0.00           H  
HETATM   41  H   UNK     1       0.116   2.563  -2.021  1.00  0.00           H  
HETATM   42  H   UNK     1       0.814   4.711  -1.243  1.00  0.00           H  
HETATM   43  H   UNK     1       2.267   1.817  -1.640  1.00  0.00           H  
HETATM   44  H   UNK     1       2.805   4.022  -0.889  1.00  0.00           H  
HETATM   45  H   UNK     1       1.838   1.581   1.345  1.00  0.00           H  
HETATM   46  H   UNK     1       6.526   1.270   2.060  1.00  0.00           H  
HETATM   47  H   UNK     1       5.881  -3.308  -0.485  1.00  0.00           H  
HETATM   48  H   UNK     1       7.321  -2.838   0.242  1.00  0.00           H  
CONECT    1    2   24    7    7                                       
CONECT    2    5    3    3    1                                       
CONECT    3   28    2    2    4                                       
CONECT    4    3   25   25                                            
CONECT    5   26    2    6    6                                       
CONECT    6    5    5   24   29                                       
CONECT    7    1    1   25                                            
CONECT    8    9    9                                                 
CONECT    9   11    8    8   10                                       
CONECT   10    9   30                                                 
CONECT   11   13   12    9   31                                       
CONECT   12   11   32   33                                            
CONECT   13   14   11   34   35                                       
CONECT   14   15   13   36   37                                       
CONECT   15   16   14                                                 
CONECT   16   17   15   38   39                                       
CONECT   17   18   22   16   40                                       
CONECT   18   20   19   17   41                                       
CONECT   19   18   42                                                 
CONECT   20   21   23   18   43                                       
CONECT   21   20   44                                                 
CONECT   22   23   17                                                 
CONECT   23   20   24   22   45                                       
CONECT   24    6    1   23                                            
CONECT   25    4    4    7   46                                       
CONECT   26   27   27   27    5                                       
CONECT   27   26   26   26                                            
CONECT   28    3   47   48                                            
CONECT   29    6                                                      
CONECT   30   10                                                      
CONECT   31   11                                                      
CONECT   32   12                                                      
CONECT   33   12                                                      
CONECT   34   13                                                      
CONECT   35   13                                                      
CONECT   36   14                                                      
CONECT   37   14                                                      
CONECT   38   16                                                      
CONECT   39   16                                                      
CONECT   40   17                                                      
CONECT   41   18                                                      
CONECT   42   19                                                      
CONECT   43   20                                                      
CONECT   44   21                                                      
CONECT   45   23                                                      
CONECT   46   25                                                      
CONECT   47   28                                                      
CONECT   48   28                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
