COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.765   0.022  -1.967  1.00  0.00           C  
HETATM    2  S   UNL     1      -1.405   4.675   0.074  1.00  0.00           S  
HETATM    3  O   UNL     1       1.071  -1.090   2.252  1.00  0.00           O  
HETATM    4  O   UNL     1      -1.058  -1.491  -0.359  1.00  0.00           O  
HETATM    5  O   UNL     1      -3.412  -0.967  -0.079  1.00  0.00           O  
HETATM    6  N   UNL     1       3.941  -1.543  -0.500  1.00  0.00           N  
HETATM    7  N   UNL     1       0.569  -0.005  -0.079  1.00  0.00           N  
HETATM    8  N   UNL     1      -3.033   0.397  -0.110  1.00  0.00           N  
HETATM    9  N   UNL     1      -0.104   2.527   0.089  1.00  0.00           N  
HETATM   10  N   UNL     1       1.371   4.387   0.273  1.00  0.00           N  
HETATM   11  S   UNL     1       5.508  -1.166  -0.117  1.00  0.00           S  
HETATM   12  C   UNL     1       2.922  -0.490  -0.534  1.00  0.00           C  
HETATM   13  CA  UNL     1       1.587  -1.057  -0.046  1.00  0.00           C  
HETATM   14  C   UNL     1       1.742  -1.561   1.366  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.734  -0.331  -0.191  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.772   0.723  -0.107  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.826  -1.179  -0.086  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.376   2.145  -0.022  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.276   3.148  -0.051  1.00  0.00           C  
HETATM   20  C   UNL     1       0.122   3.802   0.156  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.446  -0.510   1.143  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.426  -0.571  -1.355  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.113  -2.658  -0.052  1.00  0.00           C  
HETATM   24  O   UNL     1      -4.201  -3.450  -0.025  1.00  0.00           O  
HETATM   25  O   UNL     1      -6.381  -3.095  -0.052  1.00  0.00           O  
HETATM   26  O   UNL     1       5.857  -0.044  -0.916  1.00  0.00           O  
HETATM   27  O   UNL     1       5.515  -0.686   1.327  1.00  0.00           O  
HETATM   28  O   UNL     1       6.230  -2.390  -0.137  1.00  0.00           O  
HETATM   29  H   UNL     1       2.007   0.804  -1.992  1.00  0.00           H  
HETATM   30  H   UNL     1       3.716   0.425  -2.315  1.00  0.00           H  
HETATM   31  H   UNL     1       2.460  -0.800  -2.615  1.00  0.00           H  
HETATM   32  H   UNL     1       3.698  -2.460  -0.702  1.00  0.00           H  
HETATM   33  H   UNL     1       0.832   0.927  -0.022  1.00  0.00           H  
HETATM   34  H   UNL     1       1.452   5.353   0.316  1.00  0.00           H  
HETATM   35  H   UNL     1       2.166   3.832   0.311  1.00  0.00           H  
HETATM   36  H   UNL     1       3.227   0.331   0.114  1.00  0.00           H  
HETATM   37  HA  UNL     1       1.283  -1.879  -0.694  1.00  0.00           H  
HETATM   38  H   UNL     1       2.454  -2.344   1.585  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.346   3.035  -0.135  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.239   0.559   1.118  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.524  -0.671   1.138  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.018  -0.943   2.047  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.984  -1.047  -2.230  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.504  -0.732  -1.360  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.219   0.498  -1.380  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.516  -4.052  -0.029  1.00  0.00           H  
HETATM   47  H   UNL     1       6.391  -0.438   1.654  1.00  0.00           H  
CONECT    1   12   29   30   31                                       
CONECT    2   20   19                                                 
CONECT    3   14   14                                                 
CONECT    4   15   15                                                 
CONECT    5    8   17                                                 
CONECT    6   12   11   32                                            
CONECT    7   13   15   33                                            
CONECT    8    5   16   16                                            
CONECT    9   20   20   18                                            
CONECT   10   20   34   35                                            
CONECT   11    6   27   26   26                                       
CONECT   11   28   28                                                 
CONECT   12    1    6   13   36                                       
CONECT   13    7   12   14   37                                       
CONECT   14   13    3    3   38                                       
CONECT   15    4    4    7   16                                       
CONECT   16   15    8    8   18                                       
CONECT   17    5   23   22   21                                       
CONECT   18   16    9   19   19                                       
CONECT   19    2   18   18   39                                       
CONECT   20    2    9    9   10                                       
CONECT   21   17   40   41   42                                       
CONECT   22   17   43   44   45                                       
CONECT   23   17   25   24   24                                       
CONECT   24   23   23                                                 
CONECT   25   23   46                                                 
CONECT   26   11   11                                                 
CONECT   27   11   47                                                 
CONECT   28   11   11                                                 
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    6                                                      
CONECT   33    7                                                      
CONECT   34   10                                                      
CONECT   35   10                                                      
CONECT   36   12                                                      
CONECT   37   13                                                      
CONECT   38   14                                                      
CONECT   39   19                                                      
CONECT   40   21                                                      
CONECT   41   21                                                      
CONECT   42   21                                                      
CONECT   43   22                                                      
CONECT   44   22                                                      
CONECT   45   22                                                      
CONECT   46   25                                                      
CONECT   47   27                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
