COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.068   0.186  -0.056  1.00  0.00           N  
HETATM    2  C   UNL     1       0.759   1.869  -1.615  1.00  0.00           C  
HETATM    3  C   UNL     1       1.862   2.033  -0.592  1.00  0.00           C  
HETATM    4  N   UNL     1       1.708  -1.812  -0.567  1.00  0.00           N  
HETATM    5  C   UNL     1       2.024   1.268   0.496  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.180  -0.255   0.226  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.315   0.019   0.428  1.00  0.00           C  
HETATM    8  C   UNL     1       0.157   0.466  -1.482  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.501   0.111  -0.497  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.916  -0.024  -0.604  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.342   0.882   1.237  1.00  0.00           C  
HETATM   12  N   UNL     1      -3.736  -0.107   0.267  1.00  0.00           N  
HETATM   13  C   UNL     1      -7.398  -0.293  -0.699  1.00  0.00           C  
HETATM   14  O   UNL     1      -1.482  -0.206   1.608  1.00  0.00           O  
HETATM   15  C   UNL     1       3.113   1.633   1.282  1.00  0.00           C  
HETATM   16  C   UNL     1       3.822   2.666   0.838  1.00  0.00           C  
HETATM   17  C   UNL     1       1.102   0.100   0.829  1.00  0.00           C  
HETATM   18  C   UNL     1       1.824  -1.202   0.596  1.00  0.00           C  
HETATM   19  C   UNL     1       2.320  -2.954  -0.815  1.00  0.00           C  
HETATM   20  C   UNL     1       2.155  -3.610  -2.162  1.00  0.00           C  
HETATM   21  C   UNL     1       3.112  -3.555   0.145  1.00  0.00           C  
HETATM   22  C   UNL     1       3.257  -2.943   1.381  1.00  0.00           C  
HETATM   23  C   UNL     1       2.599  -1.744   1.605  1.00  0.00           C  
HETATM   24  S   UNL     1       3.124   3.257  -0.654  1.00  0.00           S  
HETATM   25  H   UNL     1      -0.014   2.618  -1.442  1.00  0.00           H  
HETATM   26  H   UNL     1       1.169   1.994  -2.617  1.00  0.00           H  
HETATM   27  H   UNL     1      -6.098  -1.204   0.757  1.00  0.00           H  
HETATM   28  H   UNL     1       0.847  -0.269  -1.895  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.792   0.423  -2.017  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.527   1.099  -0.956  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.415  -0.649  -1.274  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.847  -0.784  -1.382  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.959   0.964  -1.064  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.425   1.831   0.706  1.00  0.00           H  
HETATM   35  H   UNL     1      -7.243   0.717   1.828  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.475   0.909   1.896  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.708  -0.989   0.755  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.481   0.655  -1.230  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.282  -1.103  -1.419  1.00  0.00           H  
HETATM   40  H   UNL     1      -8.299  -0.458  -0.108  1.00  0.00           H  
HETATM   41  H   UNL     1       3.365   1.111   2.193  1.00  0.00           H  
HETATM   42  H   UNL     1       4.695   3.076   1.324  1.00  0.00           H  
HETATM   43  H   UNL     1       0.784   0.166   1.869  1.00  0.00           H  
HETATM   44  H   UNL     1       1.298  -4.283  -2.135  1.00  0.00           H  
HETATM   45  H   UNL     1       1.993  -2.845  -2.921  1.00  0.00           H  
HETATM   46  H   UNL     1       3.055  -4.176  -2.403  1.00  0.00           H  
HETATM   47  H   UNL     1       3.610  -4.490  -0.064  1.00  0.00           H  
HETATM   48  H   UNL     1       3.869  -3.389   2.150  1.00  0.00           H  
HETATM   49  H   UNL     1       2.690  -1.239   2.555  1.00  0.00           H  
CONECT    1    8    7   17                                            
CONECT    2    8    3   25   26                                       
CONECT    3    2   24    5    5                                       
CONECT    4   19   18   18                                            
CONECT    5    3    3   17   15                                       
CONECT    6   10   11   13   27                                       
CONECT    7   14   14    1    9                                       
CONECT    8    2    1   28   29                                       
CONECT    9    7   12   30   31                                       
CONECT   10   12    6   32   33                                       
CONECT   11    6   34   35   36                                       
CONECT   12    9   10   37                                            
CONECT   13    6   38   39   40                                       
CONECT   14    7    7                                                 
CONECT   15    5   16   16   41                                       
CONECT   16   24   15   15   42                                       
CONECT   17    1   18    5   43                                       
CONECT   18    4    4   23   17                                       
CONECT   19   20   21   21    4                                       
CONECT   20   19   44   45   46                                       
CONECT   21   19   19   22   47                                       
CONECT   22   21   23   23   48                                       
CONECT   23   22   22   18   49                                       
CONECT   24    3   16                                                 
CONECT   25    2                                                      
CONECT   26    2                                                      
CONECT   27    6                                                      
CONECT   28    8                                                      
CONECT   29    8                                                      
CONECT   30    9                                                      
CONECT   31    9                                                      
CONECT   32   10                                                      
CONECT   33   10                                                      
CONECT   34   11                                                      
CONECT   35   11                                                      
CONECT   36   11                                                      
CONECT   37   12                                                      
CONECT   38   13                                                      
CONECT   39   13                                                      
CONECT   40   13                                                      
CONECT   41   15                                                      
CONECT   42   16                                                      
CONECT   43   17                                                      
CONECT   44   20                                                      
CONECT   45   20                                                      
CONECT   46   20                                                      
CONECT   47   21                                                      
CONECT   48   22                                                      
CONECT   49   23                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
