COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       2.458  -1.337  -0.454  1.00  0.00           O  
HETATM    2  C   UNL     1      -3.312   2.587  -0.338  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.165   2.645   0.674  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.126   1.595   0.311  1.00  0.00           C  
HETATM    5  C   UNL     1       0.911   0.657   0.365  1.00  0.00           C  
HETATM    6  C   UNL     1       2.971  -0.512   0.272  1.00  0.00           C  
HETATM    7  C   UNL     1       4.419  -0.652   0.666  1.00  0.00           C  
HETATM    8  C   UNL     1       5.050  -1.918   0.027  1.00  0.00           C  
HETATM    9  C   UNL     1       6.546  -1.552  -0.060  1.00  0.00           C  
HETATM   10  C   UNL     1       7.799   0.643  -0.075  1.00  0.00           C  
HETATM   11  C   UNL     1       5.277   0.474   0.036  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.731   0.266  -1.133  1.00  0.00           C  
HETATM   13  N   UNL     1       6.639  -0.085  -0.036  1.00  0.00           N  
HETATM   14  N   UNL     1       8.940   0.037  -0.139  1.00  0.00           N  
HETATM   15  N   UNL     1       2.246   0.528   0.728  1.00  0.00           N  
HETATM   16  N   UNL     1       0.129   1.613   0.745  1.00  0.00           N  
HETATM   17  S   UNL     1       0.063  -0.426  -0.649  1.00  0.00           S  
HETATM   18  C   UNL     1      -1.393   0.547  -0.487  1.00  0.00           C  
HETATM   19  N   UNL     1      -3.713   1.185  -0.531  1.00  0.00           N  
HETATM   20  C   UNL     1      -4.938   0.755  -0.169  1.00  0.00           C  
HETATM   21  O   UNL     1      -5.730   1.529   0.325  1.00  0.00           O  
HETATM   22  C   UNL     1      -5.322  -0.687  -0.378  1.00  0.00           C  
HETATM   23  N   UNL     1      -6.696  -0.901   0.095  1.00  0.00           N  
HETATM   24  N   UNL     1      -7.102  -2.284  -0.092  1.00  0.00           N1+
HETATM   25  N   UNL     1      -6.869  -3.027   1.136  1.00  0.00           N  
HETATM   26  H   UNL     1      -4.160   3.160   0.038  1.00  0.00           H  
HETATM   27  H   UNL     1      -2.981   3.006  -1.289  1.00  0.00           H  
HETATM   28  H   UNL     1      -1.708   3.634   0.650  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.552   2.445   1.673  1.00  0.00           H  
HETATM   30  H   UNL     1       4.528  -0.666   1.750  1.00  0.00           H  
HETATM   31  H   UNL     1       4.902  -2.787   0.668  1.00  0.00           H  
HETATM   32  H   UNL     1       4.637  -2.095  -0.966  1.00  0.00           H  
HETATM   33  H   UNL     1       7.081  -1.971   0.792  1.00  0.00           H  
HETATM   34  H   UNL     1       6.968  -1.934  -0.990  1.00  0.00           H  
HETATM   35  H   UNL     1       7.761   1.722  -0.053  1.00  0.00           H  
HETATM   36  H   UNL     1       4.912   0.715  -0.962  1.00  0.00           H  
HETATM   37  H   UNL     1       5.263   1.361   0.670  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.668   0.443  -2.206  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.024  -0.766  -0.944  1.00  0.00           H  
HETATM   40  H   UNL     1       9.762   0.552  -0.167  1.00  0.00           H  
HETATM   41  H   UNL     1       2.657   1.188   1.309  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.261  -0.929  -1.439  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.642  -1.329   0.181  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.144  -3.993   1.033  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.905  -2.954   1.426  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.338  -0.271  -0.363  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.083  -2.319  -0.325  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.564  -2.695  -0.840  1.00  0.00           H  
CONECT    1    6    6                                                 
CONECT    2   19    3   26   27                                       
CONECT    3    2    4   28   29                                       
CONECT    4    3   18   18   16                                       
CONECT    5   16   16   17   15                                       
CONECT    6   15    1    1    7                                       
CONECT    7    6    8   11   30                                       
CONECT    8    7    9   31   32                                       
CONECT    9    8   13   33   34                                       
CONECT   10   13   14   14   35                                       
CONECT   11    7   13   36   37                                       
CONECT   12   19   18   38   39                                       
CONECT   13    9   11   10                                            
CONECT   14   10   10   40                                            
CONECT   15    5    6   41                                            
CONECT   16    4    5    5                                            
CONECT   17   18    5                                                 
CONECT   18   12    4    4   17                                       
CONECT   19   20    2   12                                            
CONECT   20   22   21   21   19                                       
CONECT   21   20   20                                                 
CONECT   22   23   20   42   43                                       
CONECT   23   24   22   46                                            
CONECT   24   23   25   47   48                                       
CONECT   25   24   44   45                                            
CONECT   26    2                                                      
CONECT   27    2                                                      
CONECT   28    3                                                      
CONECT   29    3                                                      
CONECT   30    7                                                      
CONECT   31    8                                                      
CONECT   32    8                                                      
CONECT   33    9                                                      
CONECT   34    9                                                      
CONECT   35   10                                                      
CONECT   36   11                                                      
CONECT   37   11                                                      
CONECT   38   12                                                      
CONECT   39   12                                                      
CONECT   40   14                                                      
CONECT   41   15                                                      
CONECT   42   22                                                      
CONECT   43   22                                                      
CONECT   44   25                                                      
CONECT   45   25                                                      
CONECT   46   23                                                      
CONECT   47   24                                                      
CONECT   48   24                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
