COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       8.457  -1.136   0.839  1.00  0.00           O1-
HETATM    2  N   UNL     1       7.860  -0.513  -0.021  1.00  0.00           N1+
HETATM    3  O   UNL     1       8.481   0.077  -0.887  1.00  0.00           O  
HETATM    4  C   UNL     1       6.381  -0.477  -0.016  1.00  0.00           C  
HETATM    5  C   UNL     1       5.677  -1.151   0.966  1.00  0.00           C  
HETATM    6  C   UNL     1       4.297  -1.120   0.974  1.00  0.00           C  
HETATM    7  C   UNL     1       5.705   0.236  -0.989  1.00  0.00           C  
HETATM    8  C   UNL     1       4.324   0.273  -0.986  1.00  0.00           C  
HETATM    9  C   UNL     1       3.615  -0.409  -0.006  1.00  0.00           C  
HETATM   10  N   UNL     1       2.218  -0.374  -0.001  1.00  0.00           N  
HETATM   11  C   UNL     1       1.707   0.430  -1.118  1.00  0.00           C  
HETATM   12  C   UNL     1       0.182   0.295  -1.186  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.191  -1.144  -1.544  1.00  0.00           C  
HETATM   14  C   UNL     1       1.708   0.117   1.286  1.00  0.00           C  
HETATM   15  C   UNL     1       0.183  -0.030   1.318  1.00  0.00           C  
HETATM   16  N   UNL     1      -0.375   0.637   0.132  1.00  0.00           N  
HETATM   17  S   UNL     1      -1.599   1.743   0.276  1.00  0.00           S  
HETATM   18  O   UNL     1      -1.528   2.249   1.602  1.00  0.00           O  
HETATM   19  O   UNL     1      -1.529   2.571  -0.876  1.00  0.00           O  
HETATM   20  C   UNL     1      -3.118   0.858   0.162  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.714   0.356   1.304  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.906  -0.338   1.214  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.717   0.670  -1.070  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.909  -0.024  -1.160  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.502  -0.531  -0.018  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.801  -1.288  -0.117  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.874  -0.570   0.705  1.00  0.00           C  
HETATM   28  C   UNL     1      -7.242  -1.357  -1.580  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.608  -2.706   0.426  1.00  0.00           C  
HETATM   30  H   UNL     1       6.209  -1.704   1.726  1.00  0.00           H  
HETATM   31  H   UNL     1       3.748  -1.647   1.740  1.00  0.00           H  
HETATM   32  H   UNL     1       6.257   0.766  -1.751  1.00  0.00           H  
HETATM   33  H   UNL     1       3.797   0.830  -1.746  1.00  0.00           H  
HETATM   34  H   UNL     1       1.974   1.476  -0.966  1.00  0.00           H  
HETATM   35  H   UNL     1       2.145   0.076  -2.052  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.213   0.975  -1.941  1.00  0.00           H  
HETATM   37  H   UNL     1       0.199  -1.821  -0.784  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.276  -1.237  -1.591  1.00  0.00           H  
HETATM   39  H   UNL     1       0.238  -1.400  -2.513  1.00  0.00           H  
HETATM   40  H   UNL     1       2.147  -0.464   2.098  1.00  0.00           H  
HETATM   41  H   UNL     1       1.975   1.168   1.406  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.083  -1.087   1.303  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.211   0.437   2.220  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.248   0.506   2.266  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.371  -0.731   2.106  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.255   1.066  -1.962  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.378  -0.171  -2.122  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.012   0.440   0.319  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.813  -1.118   0.634  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.560  -0.521   1.748  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.478  -1.869  -2.166  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.182  -1.905  -1.651  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.380  -0.348  -1.966  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.294  -2.656   1.468  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.547  -3.253   0.354  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.844  -3.217  -0.160  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    1    3    3    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    5    5    7                                       
CONECT    5    4    4    6   30                                       
CONECT    6    5    9    9   31                                       
CONECT    7    4    8    8   32                                       
CONECT    8    7    7    9   33                                       
CONECT    9    6    6    8   10                                       
CONECT   10    9   11   14                                            
CONECT   11   10   12   34   35                                       
CONECT   12   11   13   16   36                                       
CONECT   13   12   37   38   39                                       
CONECT   14   10   15   40   41                                       
CONECT   15   14   16   42   43                                       
CONECT   16   12   15   17                                            
CONECT   17   16   18   18   19                                       
CONECT   17   19   20                                                 
CONECT   18   17   17                                                 
CONECT   19   17   17                                                 
CONECT   20   17   21   21   23                                       
CONECT   21   20   20   22   44                                       
CONECT   22   21   25   25   45                                       
CONECT   23   20   24   24   46                                       
CONECT   24   23   23   25   47                                       
CONECT   25   22   22   24   26                                       
CONECT   26   25   27   28   29                                       
CONECT   27   26   48   49   50                                       
CONECT   28   26   51   52   53                                       
CONECT   29   26   54   55   56                                       
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32    7                                                      
CONECT   33    8                                                      
CONECT   34   11                                                      
CONECT   35   11                                                      
CONECT   36   12                                                      
CONECT   37   13                                                      
CONECT   38   13                                                      
CONECT   39   13                                                      
CONECT   40   14                                                      
CONECT   41   14                                                      
CONECT   42   15                                                      
CONECT   43   15                                                      
CONECT   44   21                                                      
CONECT   45   22                                                      
CONECT   46   23                                                      
CONECT   47   24                                                      
CONECT   48   27                                                      
CONECT   49   27                                                      
CONECT   50   27                                                      
CONECT   51   28                                                      
CONECT   52   28                                                      
CONECT   53   28                                                      
CONECT   54   29                                                      
CONECT   55   29                                                      
CONECT   56   29                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
