COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.631   1.872  -0.302  1.00  0.00           C  
HETATM    2  C   UNL     1       1.706   2.923  -0.417  1.00  0.00           C  
HETATM    3  C   UNL     1       2.199   4.220  -0.632  1.00  0.00           C  
HETATM    4  C   UNL     1       0.571   1.094  -0.093  1.00  0.00           C  
HETATM    5  N   UNL     1       3.514   4.392  -0.717  1.00  0.00           N  
HETATM    6  N   UNL     1       3.928   2.141  -0.396  1.00  0.00           N  
HETATM    7  C   UNL     1       4.345   3.373  -0.603  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.950   0.649   0.266  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.649   1.391   0.098  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.483   0.404   0.192  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.162   1.157   0.020  1.00  0.00           C  
HETATM   12  C   UNL     1       2.418  -0.624   0.085  1.00  0.00           C  
HETATM   13  C   UNL     1       1.843  -2.866   0.018  1.00  0.00           C  
HETATM   14  C   UNL     1       0.564  -3.707   0.022  1.00  0.00           C  
HETATM   15  C   UNL     1       2.296  -2.594   1.466  1.00  0.00           C  
HETATM   16  C   UNL     1       2.321  -1.050   1.572  1.00  0.00           C  
HETATM   17  N   UNL     1       1.334   5.296  -0.754  1.00  0.00           N  
HETATM   18  N   UNL     1       0.467   2.386  -0.281  1.00  0.00           N  
HETATM   19  N   UNL     1       1.890   0.730  -0.099  1.00  0.00           N  
HETATM   20  N   UNL     1      -8.297   0.647   0.372  1.00  0.00           N  
HETATM   21  N   UNL     1      -7.118   1.319   0.219  1.00  0.00           N  
HETATM   22  N   UNL     1       0.208  -4.060  -1.354  1.00  0.00           N  
HETATM   23  N   UNL     1       0.144  -5.140  -1.658  1.00  0.00           N1+
HETATM   24  N   UNL     1       0.079  -6.220  -1.962  1.00  0.00           N  
HETATM   25  O   UNL     1      -5.945  -0.550   0.444  1.00  0.00           O  
HETATM   26  O   UNL     1       1.592  -1.592  -0.597  1.00  0.00           O  
HETATM   27  O   UNL     1       3.601  -3.132   1.691  1.00  0.00           O  
HETATM   28  O   UNL     1       3.465  -0.608   2.305  1.00  0.00           O  
HETATM   29  S   UNL     1      -0.784  -0.010   0.132  1.00  0.00           S  
HETATM   30  H   UNL     1       5.407   3.557  -0.678  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.633   1.880  -0.876  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.554   2.141   0.882  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.499  -0.085   1.166  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.578  -0.346  -0.593  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.147   1.646  -0.954  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.067   1.907   0.805  1.00  0.00           H  
HETATM   37  H   UNL     1       3.448  -0.684  -0.265  1.00  0.00           H  
HETATM   38  H   UNL     1       2.630  -3.391  -0.524  1.00  0.00           H  
HETATM   39  H   UNL     1       0.729  -4.616   0.600  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.246  -3.133   0.472  1.00  0.00           H  
HETATM   41  H   UNL     1       1.583  -3.016   2.174  1.00  0.00           H  
HETATM   42  H   UNL     1       1.403  -0.677   2.025  1.00  0.00           H  
HETATM   43  H   UNL     1       0.376   5.157  -0.690  1.00  0.00           H  
HETATM   44  H   UNL     1       1.686   6.187  -0.902  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.310   0.132   1.240  1.00  0.00           H  
HETATM   46  H   UNL     1      -9.083   1.277   0.314  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.122   2.279   0.077  1.00  0.00           H  
HETATM   48  H   UNL     1       0.864  -6.675  -2.307  1.00  0.00           H  
HETATM   49  H   UNL     1       3.655  -4.091   1.579  1.00  0.00           H  
HETATM   50  H   UNL     1       3.451  -0.851   3.241  1.00  0.00           H  
CONECT    1    2   19    6    6                                       
CONECT    2   18    3    3    1                                       
CONECT    3   17    2    2    5                                       
CONECT    4   18   18   29   19                                       
CONECT    5    3    7    7                                            
CONECT    6    1    1    7                                            
CONECT    7    5    5    6   30                                       
CONECT    8   25   25    9   21                                       
CONECT    9   10    8   31   32                                       
CONECT   10   11    9   33   34                                       
CONECT   11   29   10   35   36                                       
CONECT   12   26   19   16   37                                       
CONECT   13   26   14   15   38                                       
CONECT   14   22   13   39   40                                       
CONECT   15   13   16   27   41                                       
CONECT   16   12   15   28   42                                       
CONECT   17    3   43   44                                            
CONECT   18    2    4    4                                            
CONECT   19    4    1   12                                            
CONECT   20   21   45   46                                            
CONECT   21    8   20   47                                            
CONECT   22   23   23   14                                            
CONECT   23   24   24   22   22                                       
CONECT   24   23   23   48                                            
CONECT   25    8    8                                                 
CONECT   26   13   12                                                 
CONECT   27   15   49                                                 
CONECT   28   16   50                                                 
CONECT   29    4   11                                                 
CONECT   30    7                                                      
CONECT   31    9                                                      
CONECT   32    9                                                      
CONECT   33   10                                                      
CONECT   34   10                                                      
CONECT   35   11                                                      
CONECT   36   11                                                      
CONECT   37   12                                                      
CONECT   38   13                                                      
CONECT   39   14                                                      
CONECT   40   14                                                      
CONECT   41   15                                                      
CONECT   42   16                                                      
CONECT   43   17                                                      
CONECT   44   17                                                      
CONECT   45   20                                                      
CONECT   46   20                                                      
CONECT   47   21                                                      
CONECT   48   24                                                      
CONECT   49   27                                                      
CONECT   50   28                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
