COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.505   2.488   0.410  1.00  0.00           C  
HETATM    2  C   UNL     1       0.973   1.478  -1.006  1.00  0.00           C  
HETATM    3  C   UNL     1       2.257   0.977  -0.397  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.643   3.141  -0.544  1.00  0.00           C  
HETATM    5  C   UNL     1       5.317  -0.841  -0.206  1.00  0.00           C  
HETATM    6  C   UNL     1       4.104  -0.003  -0.047  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.085   1.892   0.259  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.228   0.763  -0.359  1.00  0.00           C  
HETATM    9  N   UNL     1       3.791   0.719   0.999  1.00  0.00           N  
HETATM   10  C   UNL     1      -4.025  -2.344   0.421  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.155  -2.851  -0.612  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.610  -3.666   0.526  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.973  -4.316   1.434  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.984  -0.813  -1.191  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.282   0.384  -0.603  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.553   1.619   0.057  1.00  0.00           C  
HETATM   17  C   UNL     1       5.526  -1.552  -1.386  1.00  0.00           C  
HETATM   18  C   UNL     1       6.656  -2.330  -1.531  1.00  0.00           C  
HETATM   19  C   UNL     1       7.585  -2.408  -0.507  1.00  0.00           C  
HETATM   20  C   UNL     1       7.390  -1.709   0.667  1.00  0.00           C  
HETATM   21  C   UNL     1       6.260  -0.918   0.825  1.00  0.00           C  
HETATM   22  N   UNL     1      -5.268  -1.785  -0.127  1.00  0.00           N  
HETATM   23  N   UNL     1      -3.003   0.504  -0.482  1.00  0.00           N  
HETATM   24  N   UNL     1       0.813   2.924  -0.738  1.00  0.00           N  
HETATM   25  N   UNL     1       3.116   0.162  -0.956  1.00  0.00           N  
HETATM   26  N   UNL     1       6.064  -0.207   2.007  1.00  0.00           N  
HETATM   27  O   UNL     1       2.736   1.287   0.811  1.00  0.00           O  
HETATM   28  O   UNL     1      -0.789   2.054   1.648  1.00  0.00           O  
HETATM   29  S   UNL     1      -5.065   1.775   0.008  1.00  0.00           S  
HETATM   30  H   UNL     1      -3.346   3.455   0.864  1.00  0.00           H  
HETATM   31  H   UNL     1       0.976   1.298  -2.081  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.158   3.182  -1.505  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.824   4.052   0.026  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.800   0.225  -1.114  1.00  0.00           H  
HETATM   35  H   UNL     1       0.113   0.079   0.418  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.505  -2.905  -0.355  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.387  -1.533   0.772  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.261  -3.007   1.253  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.614  -3.482  -1.317  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.018  -2.408  -1.109  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.297  -4.898   2.246  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.919  -0.495  -1.653  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.345  -1.275  -1.945  1.00  0.00           H  
HETATM   44  H   UNL     1       4.804  -1.494  -2.187  1.00  0.00           H  
HETATM   45  H   UNL     1       6.817  -2.881  -2.446  1.00  0.00           H  
HETATM   46  H   UNL     1       8.467  -3.020  -0.628  1.00  0.00           H  
HETATM   47  H   UNL     1       8.118  -1.774   1.462  1.00  0.00           H  
HETATM   48  H   UNL     1       1.162   3.475  -1.508  1.00  0.00           H  
HETATM   49  H   UNL     1       5.272   0.343   2.117  1.00  0.00           H  
HETATM   50  H   UNL     1       6.719  -0.261   2.721  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.272   2.777   2.072  1.00  0.00           H  
CONECT    1   29   16   16   30                                       
CONECT    2    8   24    3   31                                       
CONECT    3    2   25   25   27                                       
CONECT    4   24    7   32   33                                       
CONECT    5    6   17   17   21                                       
CONECT    6   25    9    9    5                                       
CONECT    7   16    8   28    4                                       
CONECT    8    2    7   34   35                                       
CONECT    9   27    6    6                                            
CONECT   10   22   36   37   38                                       
CONECT   11   12   22   39   40                                       
CONECT   12   11   13   13   13                                       
CONECT   13   12   12   12   41                                       
CONECT   14   22   15   42   43                                       
CONECT   15   14   23   23   29                                       
CONECT   16   23    1    1    7                                       
CONECT   17    5    5   18   44                                       
CONECT   18   17   19   19   45                                       
CONECT   19   18   18   20   46                                       
CONECT   20   19   21   21   47                                       
CONECT   21   20   20   26    5                                       
CONECT   22   10   11   14                                            
CONECT   23   15   15   16                                            
CONECT   24    4    2   48                                            
CONECT   25    3    3    6                                            
CONECT   26   21   49   50                                            
CONECT   27    9    3                                                 
CONECT   28    7   51                                                 
CONECT   29    1   15                                                 
CONECT   30    1                                                      
CONECT   31    2                                                      
CONECT   32    4                                                      
CONECT   33    4                                                      
CONECT   34    8                                                      
CONECT   35    8                                                      
CONECT   36   10                                                      
CONECT   37   10                                                      
CONECT   38   10                                                      
CONECT   39   11                                                      
CONECT   40   11                                                      
CONECT   41   13                                                      
CONECT   42   14                                                      
CONECT   43   14                                                      
CONECT   44   17                                                      
CONECT   45   18                                                      
CONECT   46   19                                                      
CONECT   47   20                                                      
CONECT   48   24                                                      
CONECT   49   26                                                      
CONECT   50   26                                                      
CONECT   51   28                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
