COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.178   1.248  -0.028  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.086  -0.726   1.332  1.00  0.00           C  
HETATM    3  O   UNL     1       3.117   1.529  -0.048  1.00  0.00           O  
HETATM    4  O   UNL     1       4.234  -0.392  -0.730  1.00  0.00           O  
HETATM    5  O   UNL     1      -4.767   1.003   0.040  1.00  0.00           O  
HETATM    6  O   UNL     1       3.213  -0.507   1.355  1.00  0.00           O  
HETATM    7  C   UNL     1      -4.555  -0.410   0.064  1.00  0.00           C  
HETATM    8  C   UNL     1       0.330  -0.094  -0.032  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.297  -0.751  -0.739  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.901  -0.648  -0.753  1.00  0.00           C  
HETATM   11  C   UNL     1       1.595  -0.541  -0.767  1.00  0.00           C  
HETATM   12  N   UNL     1      -2.116  -0.219  -0.047  1.00  0.00           N1+
HETATM   13  S   UNL     1       3.055   0.116   0.087  1.00  0.00           S  
HETATM   14  H   UNL     1      -1.236   1.648   0.346  1.00  0.00           H  
HETATM   15  H   UNL     1      -2.353   1.618  -1.039  1.00  0.00           H  
HETATM   16  H   UNL     1      -2.993   1.569   0.622  1.00  0.00           H  
HETATM   17  H   UNL     1      -2.987  -0.407   1.855  1.00  0.00           H  
HETATM   18  H   UNL     1      -2.039  -1.815   1.317  1.00  0.00           H  
HETATM   19  H   UNL     1      -1.209  -0.331   1.845  1.00  0.00           H  
HETATM   20  H   UNL     1      -5.549   1.291   0.530  1.00  0.00           H  
HETATM   21  H   UNL     1      -4.428  -0.741   1.095  1.00  0.00           H  
HETATM   22  H   UNL     1      -5.415  -0.914  -0.377  1.00  0.00           H  
HETATM   23  H   UNL     1       0.283   0.995  -0.018  1.00  0.00           H  
HETATM   24  H   UNL     1       0.352  -0.470   0.991  1.00  0.00           H  
HETATM   25  H   UNL     1      -3.208  -1.833  -0.831  1.00  0.00           H  
HETATM   26  H   UNL     1      -3.368  -0.306  -1.731  1.00  0.00           H  
HETATM   27  H   UNL     1      -0.923  -0.272  -1.776  1.00  0.00           H  
HETATM   28  H   UNL     1      -0.854  -1.737  -0.767  1.00  0.00           H  
HETATM   29  H   UNL     1       1.642  -1.630  -0.781  1.00  0.00           H  
HETATM   30  H   UNL     1       1.573  -0.165  -1.790  1.00  0.00           H  
HETATM   31  H   UNL     1       5.096  -0.117  -0.390  1.00  0.00           H  
CONECT    1   12   14   15   16                                       
CONECT    2   12   17   18   19                                       
CONECT    3   13   13                                                 
CONECT    4   13   31                                                 
CONECT    5    7   20                                                 
CONECT    6   13   13                                                 
CONECT    7    5    9   21   22                                       
CONECT    8   10   11   23   24                                       
CONECT    9    7   12   25   26                                       
CONECT   10    8   12   27   28                                       
CONECT   11    8   13   29   30                                       
CONECT   12    1    2    9   10                                       
CONECT   13    3    3    4    6                                       
CONECT   13    6   11                                                 
CONECT   14    1                                                      
CONECT   15    1                                                      
CONECT   16    1                                                      
CONECT   17    2                                                      
CONECT   18    2                                                      
CONECT   19    2                                                      
CONECT   20    5                                                      
CONECT   21    7                                                      
CONECT   22    7                                                      
CONECT   23    8                                                      
CONECT   24    8                                                      
CONECT   25    9                                                      
CONECT   26    9                                                      
CONECT   27   10                                                      
CONECT   28   10                                                      
CONECT   29   11                                                      
CONECT   30   11                                                      
CONECT   31    4                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
