COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       2.745   2.508   0.624  1.00  0.00           N  
HETATM    2  C   UNL     1       3.374   1.398  -0.105  1.00  0.00           C  
HETATM    3  C   UNL     1       2.982   0.091   0.535  1.00  0.00           C  
HETATM    4  O   UNL     1       2.572   0.073   1.676  1.00  0.00           O  
HETATM    5  C   UNL     1       5.296   2.799  -0.805  1.00  0.00           C  
HETATM    6  C   UNL     1       4.895   1.554  -0.058  1.00  0.00           C  
HETATM    7  O   UNL     1       6.591   3.140  -0.896  1.00  0.00           O  
HETATM    8  O   UNL     1       4.451   3.492  -1.323  1.00  0.00           O  
HETATM    9  C   UNL     1      -2.800  -0.917   0.060  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.115   1.044   0.637  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.874  -1.537  -1.359  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.004  -2.807  -1.204  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.536   2.905   1.300  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.542   3.197  -0.067  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.124  -2.515   0.027  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.413   2.665  -0.735  1.00  0.00           C  
HETATM   17  C   UNL     1       0.354  -2.592  -0.359  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.186   1.335  -0.686  1.00  0.00           C  
HETATM   19  N   UNL     1      -3.046   0.526   0.006  1.00  0.00           N  
HETATM   20  N   UNL     1      -4.365   2.366   0.604  1.00  0.00           N  
HETATM   21  N   UNL     1       3.088  -1.058  -0.161  1.00  0.00           N  
HETATM   22  O   UNL     1       2.848  -3.498  -0.446  1.00  0.00           O  
HETATM   23  O   UNL     1      -4.870   0.307   1.242  1.00  0.00           O  
HETATM   24  O   UNL     1      -4.220  -1.878  -1.698  1.00  0.00           O  
HETATM   25  O   UNL     1       3.292  -2.525   1.813  1.00  0.00           O  
HETATM   26  O   UNL     1      -2.827  -3.952  -0.973  1.00  0.00           O  
HETATM   27  O   UNL     1      -3.766   4.393  -0.097  1.00  0.00           O  
HETATM   28  O   UNL     1      -1.445  -1.187   0.479  1.00  0.00           O  
HETATM   29  O   UNL     1       1.161  -2.434   0.810  1.00  0.00           O  
HETATM   30  S   UNL     1       2.658  -2.495   0.542  1.00  0.00           S  
HETATM   31  H   UNL     1       1.740   2.463   0.553  1.00  0.00           H  
HETATM   32  H   UNL     1       3.039   2.519   1.589  1.00  0.00           H  
HETATM   33  H   UNL     1       3.039   1.409  -1.143  1.00  0.00           H  
HETATM   34  H   UNL     1       5.220   1.632   0.979  1.00  0.00           H  
HETATM   35  H   UNL     1       5.364   0.685  -0.521  1.00  0.00           H  
HETATM   36  H   UNL     1       6.799   3.947  -1.386  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.513  -1.402   0.727  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.447  -0.862  -2.101  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.384  -2.956  -2.088  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.262   3.167   2.323  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.890   3.795   0.780  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.326   2.155   1.316  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.339  -3.236   0.816  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.741   3.315  -1.278  1.00  0.00           H  
HETATM   45  H   UNL     1       0.561  -3.560  -0.815  1.00  0.00           H  
HETATM   46  H   UNL     1       0.586  -1.798  -1.069  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.330   0.911  -1.190  1.00  0.00           H  
HETATM   48  H   UNL     1       3.415  -1.044  -1.074  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.317  -2.269  -2.577  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.441  -4.147  -1.694  1.00  0.00           H  
CONECT    1    2   31   32                                            
CONECT    2    6    1    3   33                                       
CONECT    3    2   21    4    4                                       
CONECT    4    3    3                                                 
CONECT    5    8    8    7    6                                       
CONECT    6    5    2   34   35                                       
CONECT    7    5   36                                                 
CONECT    8    5    5                                                 
CONECT    9   28   11   19   37                                       
CONECT   10   23   23   19   20                                       
CONECT   11   24   12    9   38                                       
CONECT   12   26   15   11   39                                       
CONECT   13   20   40   41   42                                       
CONECT   14   20   16   27   27                                       
CONECT   15   17   12   28   43                                       
CONECT   16   18   18   14   44                                       
CONECT   17   15   29   45   46                                       
CONECT   18   19   16   16   47                                       
CONECT   19    9   10   18                                            
CONECT   20   10   13   14                                            
CONECT   21    3   30   48                                            
CONECT   22   30   30                                                 
CONECT   23   10   10                                                 
CONECT   24   11   49                                                 
CONECT   25   30   30                                                 
CONECT   26   12   50                                                 
CONECT   27   14   14                                                 
CONECT   28   15    9                                                 
CONECT   29   17   30                                                 
CONECT   30   21   29   22   22                                       
CONECT   30   25   25                                                 
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    2                                                      
CONECT   34    6                                                      
CONECT   35    6                                                      
CONECT   36    7                                                      
CONECT   37    9                                                      
CONECT   38   11                                                      
CONECT   39   12                                                      
CONECT   40   13                                                      
CONECT   41   13                                                      
CONECT   42   13                                                      
CONECT   43   15                                                      
CONECT   44   16                                                      
CONECT   45   17                                                      
CONECT   46   17                                                      
CONECT   47   18                                                      
CONECT   48   21                                                      
CONECT   49   24                                                      
CONECT   50   26                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
