COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       2.590   3.298  -1.217  1.00  0.00           N  
HETATM    2  C   UNL     1       1.487   3.995  -1.059  1.00  0.00           C  
HETATM    3  C   UNL     1       0.418   3.507  -0.299  1.00  0.00           C  
HETATM    4  C   UNL     1       0.534   2.242   0.306  1.00  0.00           C  
HETATM    5  N   UNL     1      -0.495   1.716   1.065  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.412   0.923   0.234  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.437   0.256   1.114  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.424   0.456   2.482  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.392  -0.175   3.253  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.331  -0.976   2.637  1.00  0.00           C  
HETATM   11  N   UNL     1      -4.320  -1.149   1.329  1.00  0.00           N  
HETATM   12  C   UNL     1      -3.414  -0.566   0.559  1.00  0.00           C  
HETATM   13  N   UNL     1      -3.442  -0.771  -0.815  1.00  0.00           N  
HETATM   14  S   UNL     1      -2.708  -2.104  -1.468  1.00  0.00           S  
HETATM   15  O   UNL     1      -2.383  -1.711  -2.794  1.00  0.00           O  
HETATM   16  O   UNL     1      -1.692  -2.438  -0.533  1.00  0.00           O  
HETATM   17  C   UNL     1      -4.004  -3.374  -1.480  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.121   0.191  -1.686  1.00  0.00           C  
HETATM   19  C   UNL     1       1.729   1.531   0.112  1.00  0.00           C  
HETATM   20  C   UNL     1       2.754   2.097  -0.668  1.00  0.00           C  
HETATM   21  N   UNL     1       3.792   1.200  -0.691  1.00  0.00           N  
HETATM   22  C   UNL     1       3.465   0.083   0.046  1.00  0.00           C  
HETATM   23  C   UNL     1       2.218   0.229   0.559  1.00  0.00           C  
HETATM   24  C   UNL     1       4.338  -1.094   0.246  1.00  0.00           C  
HETATM   25  C   UNL     1       5.607  -1.132  -0.334  1.00  0.00           C  
HETATM   26  C   UNL     1       6.416  -2.233  -0.144  1.00  0.00           C  
HETATM   27  C   UNL     1       5.972  -3.298   0.620  1.00  0.00           C  
HETATM   28  C   UNL     1       4.716  -3.266   1.197  1.00  0.00           C  
HETATM   29  C   UNL     1       3.898  -2.169   1.020  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.775   4.283  -0.140  1.00  0.00           C  
HETATM   31  N   UNL     1      -1.721   4.899  -0.014  1.00  0.00           N  
HETATM   32  H   UNL     1       1.404   4.965  -1.526  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.991   2.445   1.556  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.914   1.578  -0.478  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.847   0.164  -0.306  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.678   1.088   2.941  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.409  -0.039   4.325  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.085  -1.469   3.233  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.842  -3.032  -2.088  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.604  -4.297  -1.900  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.345  -3.555  -0.461  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.397   0.911  -2.067  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.583  -0.336  -2.521  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.890   0.716  -1.118  1.00  0.00           H  
HETATM   45  H   UNL     1       4.632   1.332  -1.157  1.00  0.00           H  
HETATM   46  H   UNL     1       1.689  -0.480   1.178  1.00  0.00           H  
HETATM   47  H   UNL     1       5.954  -0.301  -0.931  1.00  0.00           H  
HETATM   48  H   UNL     1       7.398  -2.263  -0.592  1.00  0.00           H  
HETATM   49  H   UNL     1       6.610  -4.157   0.766  1.00  0.00           H  
HETATM   50  H   UNL     1       4.375  -4.101   1.793  1.00  0.00           H  
HETATM   51  H   UNL     1       2.918  -2.146   1.472  1.00  0.00           H  
CONECT    1   20   20    2                                            
CONECT    2    3    3    1   32                                       
CONECT    3    4   30    2    2                                       
CONECT    4    5   19   19    3                                       
CONECT    5    6    4   33                                            
CONECT    6    7    5   34   35                                       
CONECT    7    8    8   12    6                                       
CONECT    8    9    7    7   36                                       
CONECT    9   10   10    8   37                                       
CONECT   10    9    9   11   38                                       
CONECT   11   10   12   12                                            
CONECT   12   11   11    7   13                                       
CONECT   13   12   18   14                                            
CONECT   14   13   16   16   15                                       
CONECT   14   15   17                                                 
CONECT   15   14   14                                                 
CONECT   16   14   14                                                 
CONECT   17   14   39   40   41                                       
CONECT   18   13   42   43   44                                       
CONECT   19   23    4    4   20                                       
CONECT   20   19   21    1    1                                       
CONECT   21   22   20   45                                            
CONECT   22   24   23   23   21                                       
CONECT   23   22   22   19   46                                       
CONECT   24   29   29   25   22                                       
CONECT   25   26   26   24   47                                       
CONECT   26   27   25   25   48                                       
CONECT   27   28   28   26   49                                       
CONECT   28   27   27   29   50                                       
CONECT   29   28   24   24   51                                       
CONECT   30    3   31   31   31                                       
CONECT   31   30   30   30                                            
CONECT   32    2                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    6                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38   10                                                      
CONECT   39   17                                                      
CONECT   40   17                                                      
CONECT   41   17                                                      
CONECT   42   18                                                      
CONECT   43   18                                                      
CONECT   44   18                                                      
CONECT   45   21                                                      
CONECT   46   23                                                      
CONECT   47   25                                                      
CONECT   48   26                                                      
CONECT   49   27                                                      
CONECT   50   28                                                      
CONECT   51   29                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
