COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       0.687   0.488  -0.832  1.00  0.00           O  
HETATM    2  C   UNL     1      -2.915   5.204   0.543  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.394   1.902   0.039  1.00  0.00           C  
HETATM    4  O   UNL     1      -4.617  -0.869  -2.425  1.00  0.00           O  
HETATM    5  C   UNL     1       0.911   1.304   0.037  1.00  0.00           C  
HETATM    6  N   UNL     1       2.749  -0.351  -0.982  1.00  0.00           N  
HETATM    7  C   UNL     1       2.298   1.431   0.611  1.00  0.00           C  
HETATM    8  C   UNL     1       3.213   0.439  -0.060  1.00  0.00           C  
HETATM    9  N   UNL     1       3.545  -1.290  -1.639  1.00  0.00           N  
HETATM   10  C   UNL     1       4.856  -1.434  -1.354  1.00  0.00           C  
HETATM   11  C   UNL     1       5.453  -0.576  -0.323  1.00  0.00           C  
HETATM   12  C   UNL     1       6.800  -0.667   0.023  1.00  0.00           C  
HETATM   13  C   UNL     1       7.308   0.164   0.998  1.00  0.00           C  
HETATM   14  N   UNL     1      -4.290  -1.914  -0.214  1.00  0.00           N  
HETATM   15  C   UNL     1       6.493   1.090   1.636  1.00  0.00           C  
HETATM   16  C   UNL     1       5.160   1.197   1.310  1.00  0.00           C  
HETATM   17  C   UNL     1       4.622   0.366   0.326  1.00  0.00           C  
HETATM   18  S   UNL     1      -3.586  -1.109  -1.478  1.00  0.00           S  
HETATM   19  O   UNL     1      -2.394  -1.816  -1.790  1.00  0.00           O  
HETATM   20  C   UNL     1      -3.548  -2.194   0.936  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.091  -1.949   2.191  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.355  -2.227   3.326  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.079  -2.749   3.214  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.536  -2.993   1.966  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.268  -2.722   0.827  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.085   0.470  -0.877  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.789   0.660  -0.434  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.307   2.954   0.072  1.00  0.00           C  
HETATM   29  O   UNL     1      -1.926   4.173   0.540  1.00  0.00           O  
HETATM   30  C   UNL     1      -3.603   2.756  -0.374  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.989   1.516  -0.850  1.00  0.00           C  
HETATM   32  N   UNL     1      -0.081   2.097   0.489  1.00  0.00           N  
HETATM   33  O   UNL     1       5.531  -2.261  -1.941  1.00  0.00           O  
HETATM   34  H   UNL     1      -3.263   5.377  -0.475  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.754   4.900   1.168  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.481   6.122   0.940  1.00  0.00           H  
HETATM   37  H   UNL     1       2.671   2.442   0.441  1.00  0.00           H  
HETATM   38  H   UNL     1       2.269   1.231   1.682  1.00  0.00           H  
HETATM   39  H   UNL     1       3.145  -1.855  -2.319  1.00  0.00           H  
HETATM   40  H   UNL     1       7.440  -1.385  -0.468  1.00  0.00           H  
HETATM   41  H   UNL     1       8.352   0.095   1.268  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.218  -2.191  -0.272  1.00  0.00           H  
HETATM   43  H   UNL     1       6.910   1.732   2.398  1.00  0.00           H  
HETATM   44  H   UNL     1       4.534   1.921   1.812  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.088  -1.542   2.280  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.776  -2.038   4.302  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.505  -2.965   4.103  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.539  -3.400   1.882  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.844  -2.913  -0.147  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.086  -0.159  -0.457  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.313   3.569  -0.350  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.000   1.363  -1.197  1.00  0.00           H  
HETATM   53  H   UNL     1       0.114   2.802   1.126  1.00  0.00           H  
CONECT    1    5    5                                                 
CONECT    2   29   34   35   36                                       
CONECT    3   28   32   27   27                                       
CONECT    4   18   18                                                 
CONECT    5    1    1   32    7                                       
CONECT    6    8    8    9                                            
CONECT    7    8    5   37   38                                       
CONECT    8   17    7    6    6                                       
CONECT    9   10    6   39                                            
CONECT   10   11   33   33    9                                       
CONECT   11   12   12   17   10                                       
CONECT   12   13   11   11   40                                       
CONECT   13   15   15   12   41                                       
CONECT   14   20   18   42                                            
CONECT   15   13   13   16   43                                       
CONECT   16   15   17   17   44                                       
CONECT   17   16   16   11    8                                       
CONECT   18   19   19   26   14                                       
CONECT   18    4    4                                                 
CONECT   19   18   18                                                 
CONECT   20   21   21   25   14                                       
CONECT   21   22   20   20   45                                       
CONECT   22   23   23   21   46                                       
CONECT   23   22   22   24   47                                       
CONECT   24   23   25   25   48                                       
CONECT   25   24   24   20   49                                       
CONECT   26   31   31   27   18                                       
CONECT   27    3    3   26   50                                       
CONECT   28   29   30   30    3                                       
CONECT   29    2   28                                                 
CONECT   30   28   28   31   51                                       
CONECT   31   30   26   26   52                                       
CONECT   32    5    3   53                                            
CONECT   33   10   10                                                 
CONECT   34    2                                                      
CONECT   35    2                                                      
CONECT   36    2                                                      
CONECT   37    7                                                      
CONECT   38    7                                                      
CONECT   39    9                                                      
CONECT   40   12                                                      
CONECT   41   13                                                      
CONECT   42   14                                                      
CONECT   43   15                                                      
CONECT   44   16                                                      
CONECT   45   21                                                      
CONECT   46   22                                                      
CONECT   47   23                                                      
CONECT   48   24                                                      
CONECT   49   25                                                      
CONECT   50   27                                                      
CONECT   51   30                                                      
CONECT   52   31                                                      
CONECT   53   32                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
