COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.305   0.285  -0.555  1.00  0.00           C  
HETATM    2  O   UNL     1      -0.580   0.884  -1.567  1.00  0.00           O  
HETATM    3  C   UNL     1      -2.394   1.171   0.400  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.007  -1.259   0.327  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.345   2.349   1.023  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.414   3.190   0.765  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.331   2.694  -0.068  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.593  -2.398   0.884  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.354  -3.510   0.571  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.386  -3.275  -0.240  1.00  0.00           C  
HETATM   11  O   UNL     1       3.219  -0.230   2.165  1.00  0.00           O  
HETATM   12  O   UNL     1       0.934  -0.198  -0.376  1.00  0.00           O  
HETATM   13  O   UNL     1      -0.738   0.146   1.799  1.00  0.00           O  
HETATM   14  S   UNL     1      -3.854   1.079  -0.576  1.00  0.00           S  
HETATM   15  S   UNL     1      -3.438  -1.565  -0.649  1.00  0.00           S  
HETATM   16  C   UNL     1       5.128   0.447  -1.493  1.00  0.00           C  
HETATM   17  C   UNL     1       3.741  -1.076  -0.183  1.00  0.00           C  
HETATM   18  C   UNL     1       2.905  -1.117  -1.473  1.00  0.00           C  
HETATM   19  C   UNL     1       1.891   0.030  -1.444  1.00  0.00           C  
HETATM   20  C   UNL     1       2.618   1.356  -1.201  1.00  0.00           C  
HETATM   21  C   UNL     1       3.451   1.226   0.084  1.00  0.00           C  
HETATM   22  C   UNL     1       2.574   0.586   1.185  1.00  0.00           C  
HETATM   23  C   UNL     1       2.765  -0.935   1.008  1.00  0.00           C  
HETATM   24  C   UNL     1       5.505   0.198   0.880  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.353   0.086   0.511  1.00  0.00           C  
HETATM   26  N   UNL     1       4.497   0.205  -0.189  1.00  0.00           N1+
HETATM   27  H   UNL     1      -1.534   2.627   1.679  1.00  0.00           H  
HETATM   28  H   UNL     1      -3.500   4.173   1.204  1.00  0.00           H  
HETATM   29  H   UNL     1      -5.229   3.205  -0.382  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.729  -2.448   1.531  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.129  -4.495   0.955  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.085  -4.020  -0.590  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.297   0.985   1.987  1.00  0.00           H  
HETATM   34  H   UNL     1       5.597   1.431  -1.492  1.00  0.00           H  
HETATM   35  H   UNL     1       5.885  -0.315  -1.678  1.00  0.00           H  
HETATM   36  H   UNL     1       4.372   0.406  -2.276  1.00  0.00           H  
HETATM   37  H   UNL     1       4.388  -1.947  -0.085  1.00  0.00           H  
HETATM   38  H   UNL     1       3.561  -1.003  -2.336  1.00  0.00           H  
HETATM   39  H   UNL     1       2.379  -2.070  -1.537  1.00  0.00           H  
HETATM   40  H   UNL     1       1.366   0.075  -2.398  1.00  0.00           H  
HETATM   41  H   UNL     1       3.273   1.594  -2.039  1.00  0.00           H  
HETATM   42  H   UNL     1       1.878   2.148  -1.078  1.00  0.00           H  
HETATM   43  H   UNL     1       3.878   2.179   0.395  1.00  0.00           H  
HETATM   44  H   UNL     1       1.614   1.052   1.410  1.00  0.00           H  
HETATM   45  H   UNL     1       1.942  -1.645   1.091  1.00  0.00           H  
HETATM   46  H   UNL     1       5.919   1.199   0.996  1.00  0.00           H  
HETATM   47  H   UNL     1       5.040  -0.113   1.815  1.00  0.00           H  
HETATM   48  H   UNL     1       6.303  -0.498   0.622  1.00  0.00           H  
CONECT    1    2    2   25   12                                       
CONECT    2    1    1                                                 
CONECT    3   25   14    5    5                                       
CONECT    4   15    8    8   25                                       
CONECT    5    3    3    6   27                                       
CONECT    6    5    7    7   28                                       
CONECT    7   14    6    6   29                                       
CONECT    8    9    4    4   30                                       
CONECT    9   10   10    8   31                                       
CONECT   10   15    9    9   32                                       
CONECT   11   22   23                                                 
CONECT   12    1   19                                                 
CONECT   13   25   33                                                 
CONECT   14    3    7                                                 
CONECT   15   10    4                                                 
CONECT   16   26   34   35   36                                       
CONECT   17   26   23   18   37                                       
CONECT   18   19   17   38   39                                       
CONECT   19   20   12   18   40                                       
CONECT   20   21   19   41   42                                       
CONECT   21   20   22   26   43                                       
CONECT   22   21   11   23   44                                       
CONECT   23   22   11   17   45                                       
CONECT   24   26   46   47   48                                       
CONECT   25    4   13    1    3                                       
CONECT   26   21   24   16   17                                       
CONECT   27    5                                                      
CONECT   28    6                                                      
CONECT   29    7                                                      
CONECT   30    8                                                      
CONECT   31    9                                                      
CONECT   32   10                                                      
CONECT   33   13                                                      
CONECT   34   16                                                      
CONECT   35   16                                                      
CONECT   36   16                                                      
CONECT   37   17                                                      
CONECT   38   18                                                      
CONECT   39   18                                                      
CONECT   40   19                                                      
CONECT   41   20                                                      
CONECT   42   20                                                      
CONECT   43   21                                                      
CONECT   44   22                                                      
CONECT   45   23                                                      
CONECT   46   24                                                      
CONECT   47   24                                                      
CONECT   48   24                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
