COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.560  -1.817  -1.307  1.00  0.00           C  
HETATM    2  C   UNL     1       5.464  -0.966  -0.454  1.00  0.00           C  
HETATM    3  N   UNL     1       6.793  -1.210  -0.357  1.00  0.00           N  
HETATM    4  C   UNL     1       7.415  -2.320  -1.083  1.00  0.00           C  
HETATM    5  C   UNL     1       7.519  -0.398   0.426  1.00  0.00           C  
HETATM    6  O   UNL     1       8.717  -0.461   0.635  1.00  0.00           O  
HETATM    7  S   UNL     1       6.413   0.750   1.077  1.00  0.00           S  
HETATM    8  C   UNL     1       4.997   0.080   0.248  1.00  0.00           C  
HETATM    9  C   UNL     1       3.605   0.565   0.315  1.00  0.00           C  
HETATM   10  N   UNL     1       2.639  -0.050  -0.369  1.00  0.00           N  
HETATM   11  C   UNL     1       3.275   1.675   1.104  1.00  0.00           C  
HETATM   12  C   UNL     1       1.958   2.091   1.136  1.00  0.00           C  
HETATM   13  N   UNL     1       1.053   1.435   0.426  1.00  0.00           N  
HETATM   14  C   UNL     1       1.390   0.385  -0.308  1.00  0.00           C  
HETATM   15  N   UNL     1       0.411  -0.276  -1.031  1.00  0.00           N  
HETATM   16  C   UNL     1      -0.930   0.094  -0.892  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.792   0.011  -1.978  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.116   0.377  -1.836  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.405   0.539   0.335  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.730   0.904   0.470  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.584   0.825  -0.615  1.00  0.00           C  
HETATM   22  S   UNL     1      -5.274   1.292  -0.439  1.00  0.00           S  
HETATM   23  O   UNL     1      -5.331   2.186   0.664  1.00  0.00           O  
HETATM   24  O   UNL     1      -5.734   1.632  -1.739  1.00  0.00           O  
HETATM   25  N   UNL     1      -6.112  -0.063   0.014  1.00  0.00           N  
HETATM   26  C   UNL     1      -5.843  -0.691   1.310  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.972  -1.667   1.648  1.00  0.00           C  
HETATM   28  O   UNL     1      -6.977  -2.737   0.702  1.00  0.00           O  
HETATM   29  C   UNL     1      -7.999  -3.710   0.929  1.00  0.00           C  
HETATM   30  H   UNL     1       5.146  -2.601  -1.787  1.00  0.00           H  
HETATM   31  H   UNL     1       3.791  -2.270  -0.681  1.00  0.00           H  
HETATM   32  H   UNL     1       4.090  -1.196  -2.069  1.00  0.00           H  
HETATM   33  H   UNL     1       7.741  -1.976  -2.064  1.00  0.00           H  
HETATM   34  H   UNL     1       8.275  -2.685  -0.521  1.00  0.00           H  
HETATM   35  H   UNL     1       6.691  -3.127  -1.203  1.00  0.00           H  
HETATM   36  H   UNL     1       4.032   2.193   1.674  1.00  0.00           H  
HETATM   37  H   UNL     1       1.670   2.943   1.734  1.00  0.00           H  
HETATM   38  H   UNL     1       0.655  -0.995  -1.635  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.427  -0.339  -2.932  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.739   0.600   1.183  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.787   0.313  -2.681  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.100   1.250   1.424  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.781  -0.440  -0.578  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.898  -1.232   1.262  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.783   0.077   2.081  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.818  -2.068   2.650  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.928  -1.143   1.609  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.866  -4.153   1.916  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.976  -3.229   0.875  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.935  -4.488   0.169  1.00  0.00           H  
CONECT    1    2   30   31   32                                       
CONECT    2    1    3    8    8                                       
CONECT    3    2    4    5                                            
CONECT    4    3   33   34   35                                       
CONECT    5    3    6    6    7                                       
CONECT    6    5    5                                                 
CONECT    7    5    8                                                 
CONECT    8    2    2    7    9                                       
CONECT    9    8   10   10   11                                       
CONECT   10    9    9   14                                            
CONECT   11    9   12   12   36                                       
CONECT   12   11   11   13   37                                       
CONECT   13   12   14   14                                            
CONECT   14   10   13   13   15                                       
CONECT   15   14   16   38                                            
CONECT   16   15   17   19   19                                       
CONECT   17   16   18   18   39                                       
CONECT   18   17   17   21   41                                       
CONECT   19   16   16   20   40                                       
CONECT   20   19   21   21   42                                       
CONECT   21   18   20   20   22                                       
CONECT   22   21   23   23   24                                       
CONECT   22   24   25                                                 
CONECT   23   22   22                                                 
CONECT   24   22   22                                                 
CONECT   25   22   26   43                                            
CONECT   26   25   27   44   45                                       
CONECT   27   26   28   46   47                                       
CONECT   28   27   29                                                 
CONECT   29   28   48   49   50                                       
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    4                                                      
CONECT   34    4                                                      
CONECT   35    4                                                      
CONECT   36   11                                                      
CONECT   37   12                                                      
CONECT   38   15                                                      
CONECT   39   17                                                      
CONECT   40   19                                                      
CONECT   41   18                                                      
CONECT   42   20                                                      
CONECT   43   25                                                      
CONECT   44   26                                                      
CONECT   45   26                                                      
CONECT   46   27                                                      
CONECT   47   27                                                      
CONECT   48   29                                                      
CONECT   49   29                                                      
CONECT   50   29                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
