COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       0.263   0.398  -0.376  1.00  0.00           N  
HETATM    2  S   UNL     1       3.740   1.960   0.183  1.00  0.00           S  
HETATM    3  C   UNL     1       3.706   0.126   0.050  1.00  0.00           C  
HETATM    4  N   UNL     1       1.750  -1.285  -0.413  1.00  0.00           N  
HETATM    5  C   UNL     1       0.494  -0.901  -0.145  1.00  0.00           C  
HETATM    6  O   UNL     1      -0.357  -1.663   0.270  1.00  0.00           O  
HETATM    7  C   UNL     1       2.514  -0.123  -0.894  1.00  0.00           C  
HETATM    8  C   UNL     1       1.499   1.026  -0.869  1.00  0.00           C  
HETATM    9  C   UNL     1       1.914   2.155   0.094  1.00  0.00           C  
HETATM   10  C   UNL     1       5.005  -0.397  -0.566  1.00  0.00           C  
HETATM   11  C   UNL     1       6.168  -0.129   0.391  1.00  0.00           C  
HETATM   12  C   UNL     1       7.467  -0.652  -0.225  1.00  0.00           C  
HETATM   13  C   UNL     1       8.630  -0.384   0.732  1.00  0.00           C  
HETATM   14  C   UNL     1       9.910  -0.899   0.125  1.00  0.00           C  
HETATM   15  O   UNL     1       9.893  -1.426  -0.962  1.00  0.00           O  
HETATM   16  O   UNL     1      11.068  -0.772   0.792  1.00  0.00           O  
HETATM   17  C   UNL     1      -0.915   1.028  -0.192  1.00  0.00           C  
HETATM   18  O   UNL     1      -1.013   2.214  -0.435  1.00  0.00           O  
HETATM   19  O   UNL     1      -1.981   0.342   0.261  1.00  0.00           O  
HETATM   20  C   UNL     1      -3.216   1.085   0.435  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.273   1.655   1.854  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.390   0.166   0.216  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.228  -1.202   0.340  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.306  -2.049   0.140  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.552  -1.519  -0.186  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.707  -0.148  -0.308  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.628   0.692  -0.102  1.00  0.00           C  
HETATM   28  N   UNL     1      -5.798   2.157  -0.229  1.00  0.00           N1+
HETATM   29  O   UNL     1      -5.412  -3.408   0.200  1.00  0.00           O  
HETATM   30  C   UNL     1      -6.821  -3.680   0.309  1.00  0.00           C  
HETATM   31  O   UNL     1      -7.438  -2.547  -0.331  1.00  0.00           O  
HETATM   32  O   UNL     1      -6.904   2.627  -0.423  1.00  0.00           O  
HETATM   33  O   UNL     1      -4.831   2.891  -0.138  1.00  0.00           O1-
HETATM   34  H   UNL     1       3.529  -0.329   1.025  1.00  0.00           H  
HETATM   35  H   UNL     1       2.099  -2.183  -0.306  1.00  0.00           H  
HETATM   36  H   UNL     1       2.868  -0.299  -1.910  1.00  0.00           H  
HETATM   37  H   UNL     1       1.348   1.418  -1.875  1.00  0.00           H  
HETATM   38  H   UNL     1       1.461   2.011   1.076  1.00  0.00           H  
HETATM   39  H   UNL     1       1.648   3.129  -0.316  1.00  0.00           H  
HETATM   40  H   UNL     1       4.918  -1.469  -0.741  1.00  0.00           H  
HETATM   41  H   UNL     1       5.189   0.112  -1.512  1.00  0.00           H  
HETATM   42  H   UNL     1       6.255   0.944   0.566  1.00  0.00           H  
HETATM   43  H   UNL     1       5.985  -0.637   1.338  1.00  0.00           H  
HETATM   44  H   UNL     1       7.380  -1.724  -0.400  1.00  0.00           H  
HETATM   45  H   UNL     1       7.651  -0.143  -1.171  1.00  0.00           H  
HETATM   46  H   UNL     1       8.717   0.689   0.907  1.00  0.00           H  
HETATM   47  H   UNL     1       8.446  -0.892   1.679  1.00  0.00           H  
HETATM   48  H   UNL     1      11.862  -1.117   0.362  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.254   1.901  -0.286  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.234   0.839   2.575  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.424   2.320   2.012  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.200   2.212   1.985  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.260  -1.610   0.593  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.672   0.266  -0.561  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.076  -4.601  -0.215  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.121  -3.738   1.355  1.00  0.00           H  
CONECT    1    5    8   17                                            
CONECT    2    3    9                                                 
CONECT    3    2    7   10   34                                       
CONECT    4    5    7   35                                            
CONECT    5    1    4    6    6                                       
CONECT    6    5    5                                                 
CONECT    7    3    4    8   36                                       
CONECT    8    1    7    9   37                                       
CONECT    9    2    8   38   39                                       
CONECT   10    3   11   40   41                                       
CONECT   11   10   12   42   43                                       
CONECT   12   11   13   44   45                                       
CONECT   13   12   14   46   47                                       
CONECT   14   13   15   15   16                                       
CONECT   15   14   14                                                 
CONECT   16   14   48                                                 
CONECT   17    1   18   18   19                                       
CONECT   18   17   17                                                 
CONECT   19   17   20                                                 
CONECT   20   19   21   22   49                                       
CONECT   21   20   50   51   52                                       
CONECT   22   20   23   23   27                                       
CONECT   23   22   22   24   53                                       
CONECT   24   23   25   25   29                                       
CONECT   25   24   24   26   31                                       
CONECT   26   25   27   27   54                                       
CONECT   27   22   26   26   28                                       
CONECT   28   27   32   32   33                                       
CONECT   29   24   30                                                 
CONECT   30   29   31   55   56                                       
CONECT   31   25   30                                                 
CONECT   32   28   28                                                 
CONECT   33   28                                                      
CONECT   34    3                                                      
CONECT   35    4                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38    9                                                      
CONECT   39    9                                                      
CONECT   40   10                                                      
CONECT   41   10                                                      
CONECT   42   11                                                      
CONECT   43   11                                                      
CONECT   44   12                                                      
CONECT   45   12                                                      
CONECT   46   13                                                      
CONECT   47   13                                                      
CONECT   48   16                                                      
CONECT   49   20                                                      
CONECT   50   21                                                      
CONECT   51   21                                                      
CONECT   52   21                                                      
CONECT   53   23                                                      
CONECT   54   26                                                      
CONECT   55   30                                                      
CONECT   56   30                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
