COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNK     1       6.942   0.660   0.775  1.00  0.00           N1+
HETATM    2  C   UNK     1       6.310  -0.648   0.559  1.00  0.00           C  
HETATM    3  C   UNK     1       5.069  -0.476  -0.319  1.00  0.00           C  
HETATM    4  C   UNK     1       4.027   0.358   0.428  1.00  0.00           C  
HETATM    5  S   UNK     1       2.555   0.562  -0.613  1.00  0.00           S  
HETATM    6  C   UNK     1       7.286  -1.570  -0.125  1.00  0.00           C  
HETATM    7  O   UNK     1       8.231  -1.114  -0.723  1.00  0.00           O  
HETATM    8  O   UNK     1       7.104  -2.899  -0.071  1.00  0.00           O  
HETATM    9  C   UNK     1       1.454   1.560   0.428  1.00  0.00           C  
HETATM   10  C   UNK     1       0.146   1.824  -0.320  1.00  0.00           C  
HETATM   11  O   UNK     1      -0.574   0.592  -0.495  1.00  0.00           O  
HETATM   12  C   UNK     1      -0.749   2.768   0.506  1.00  0.00           C  
HETATM   13  O   UNK     1      -1.022   3.965  -0.225  1.00  0.00           O  
HETATM   14  C   UNK     1      -2.050   1.960   0.728  1.00  0.00           C  
HETATM   15  O   UNK     1      -3.200   2.796   0.584  1.00  0.00           O  
HETATM   16  C   UNK     1      -1.980   0.910  -0.417  1.00  0.00           C  
HETATM   17  N   UNK     1      -2.762  -0.280  -0.074  1.00  0.00           N  
HETATM   18  C   UNK     1      -2.285  -1.422   0.496  1.00  0.00           C  
HETATM   19  N   UNK     1      -3.254  -2.275   0.662  1.00  0.00           N  
HETATM   20  C   UNK     1      -4.411  -1.735   0.210  1.00  0.00           C  
HETATM   21  C   UNK     1      -5.743  -2.177   0.133  1.00  0.00           C  
HETATM   22  N   UNK     1      -6.100  -3.434   0.588  1.00  0.00           N  
HETATM   23  N   UNK     1      -6.652  -1.358  -0.387  1.00  0.00           N  
HETATM   24  C   UNK     1      -6.321  -0.157  -0.823  1.00  0.00           C  
HETATM   25  N   UNK     1      -5.087   0.298  -0.771  1.00  0.00           N  
HETATM   26  C   UNK     1      -4.111  -0.447  -0.263  1.00  0.00           C  
HETATM   27  H   UNK     1       7.211   1.055  -0.114  1.00  0.00           H  
HETATM   28  H   UNK     1       6.289   1.278   1.233  1.00  0.00           H  
HETATM   29  H   UNK     1       7.761   0.547   1.354  1.00  0.00           H  
HETATM   30  H   UNK     1       6.020  -1.074   1.519  1.00  0.00           H  
HETATM   31  H   UNK     1       5.345   0.031  -1.244  1.00  0.00           H  
HETATM   32  H   UNK     1       4.651  -1.455  -0.553  1.00  0.00           H  
HETATM   33  H   UNK     1       3.751  -0.149   1.353  1.00  0.00           H  
HETATM   34  H   UNK     1       4.445   1.337   0.662  1.00  0.00           H  
HETATM   35  H   UNK     1       7.756  -3.450  -0.525  1.00  0.00           H  
HETATM   36  H   UNK     1       1.243   1.023   1.352  1.00  0.00           H  
HETATM   37  H   UNK     1       1.937   2.509   0.661  1.00  0.00           H  
HETATM   38  H   UNK     1       0.358   2.270  -1.292  1.00  0.00           H  
HETATM   39  H   UNK     1      -0.276   3.004   1.459  1.00  0.00           H  
HETATM   40  H   UNK     1      -1.581   4.596   0.248  1.00  0.00           H  
HETATM   41  H   UNK     1      -2.045   1.473   1.703  1.00  0.00           H  
HETATM   42  H   UNK     1      -3.241   3.522   1.221  1.00  0.00           H  
HETATM   43  H   UNK     1      -2.327   1.342  -1.355  1.00  0.00           H  
HETATM   44  H   UNK     1      -1.254  -1.594   0.770  1.00  0.00           H  
HETATM   45  H   UNK     1      -5.428  -4.022   0.966  1.00  0.00           H  
HETATM   46  H   UNK     1      -7.023  -3.727   0.529  1.00  0.00           H  
HETATM   47  H   UNK     1      -7.091   0.476  -1.238  1.00  0.00           H  
CONECT    1    2   27   28   29                                       
CONECT    2    3    1    6   30                                       
CONECT    3    4    2   31   32                                       
CONECT    4    5    3   33   34                                       
CONECT    5    9    4                                                 
CONECT    6    2    7    7    8                                       
CONECT    7    6    6                                                 
CONECT    8    6   35                                                 
CONECT    9   10    5   36   37                                       
CONECT   10   11    9   12   38                                       
CONECT   11   16   10                                                 
CONECT   12   14   10   13   39                                       
CONECT   13   12   40                                                 
CONECT   14   16   15   12   41                                       
CONECT   15   14   42                                                 
CONECT   16   17   14   11   43                                       
CONECT   17   18   26   16                                            
CONECT   18   19   19   17   44                                       
CONECT   19   20   18   18                                            
CONECT   20   21   21   19   26                                       
CONECT   21   22   20   20   23                                       
CONECT   22   21   45   46                                            
CONECT   23   21   24   24                                            
CONECT   24   23   23   25   47                                       
CONECT   25   26   26   24                                            
CONECT   26   20   17   25   25                                       
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    2                                                      
CONECT   31    3                                                      
CONECT   32    3                                                      
CONECT   33    4                                                      
CONECT   34    4                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37    9                                                      
CONECT   38   10                                                      
CONECT   39   12                                                      
CONECT   40   13                                                      
CONECT   41   14                                                      
CONECT   42   15                                                      
CONECT   43   16                                                      
CONECT   44   18                                                      
CONECT   45   22                                                      
CONECT   46   22                                                      
CONECT   47   24                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
