COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -3.081  -2.248  -0.208  1.00  0.00           O  
HETATM    2  C   UNL     1      -2.831  -0.946   0.001  1.00  0.00           C  
HETATM    3  O   UNL     1      -3.728  -0.203   0.322  1.00  0.00           O  
HETATM    4  C   UNL     1      -1.433  -0.410  -0.168  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.493   1.019  -0.504  1.00  0.00           N1+
HETATM    6  C   UNL     1      -1.977   1.776   0.658  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.152   1.492  -0.872  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.409   1.217  -1.635  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.656  -0.594   1.138  1.00  0.00           C  
HETATM   10  C   UNL     1       0.792  -0.243   0.914  1.00  0.00           C  
HETATM   11  N   UNL     1       1.617  -0.768  -0.069  1.00  0.00           N  
HETATM   12  C   UNL     1       2.833  -0.202   0.061  1.00  0.00           C  
HETATM   13  S   UNL     1       4.200  -0.521  -0.919  1.00  0.00           S  
HETATM   14  N   UNL     1       2.786   0.659   1.097  1.00  0.00           N  
HETATM   15  C   UNL     1       1.503   0.630   1.621  1.00  0.00           C  
HETATM   16  H   UNL     1      -3.993  -2.545  -0.088  1.00  0.00           H  
HETATM   17  H   UNL     1      -0.930  -0.951  -0.969  1.00  0.00           H  
HETATM   18  H   UNL     1      -1.237   1.728   1.457  1.00  0.00           H  
HETATM   19  H   UNL     1      -2.139   2.815   0.373  1.00  0.00           H  
HETATM   20  H   UNL     1      -2.916   1.345   1.007  1.00  0.00           H  
HETATM   21  H   UNL     1       0.322   0.764  -1.531  1.00  0.00           H  
HETATM   22  H   UNL     1      -0.233   2.449  -1.386  1.00  0.00           H  
HETATM   23  H   UNL     1       0.451   1.613   0.028  1.00  0.00           H  
HETATM   24  H   UNL     1      -3.439   1.114  -1.290  1.00  0.00           H  
HETATM   25  H   UNL     1      -2.264   2.215  -2.050  1.00  0.00           H  
HETATM   26  H   UNL     1      -2.206   0.471  -2.402  1.00  0.00           H  
HETATM   27  H   UNL     1      -1.074   0.058   1.905  1.00  0.00           H  
HETATM   28  H   UNL     1      -0.732  -1.632   1.462  1.00  0.00           H  
HETATM   29  H   UNL     1       1.145   1.213   2.457  1.00  0.00           H  
HETATM   30  H   UNL     1       1.363  -1.427  -0.733  1.00  0.00           H  
HETATM   31  H   UNL     1       3.521   1.205   1.418  1.00  0.00           H  
CONECT    1    2   16                                                 
CONECT    2    3    3    4    1                                       
CONECT    3    2    2                                                 
CONECT    4    9    5    2   17                                       
CONECT    5    8    4    6    7                                       
CONECT    6    5   18   19   20                                       
CONECT    7    5   21   22   23                                       
CONECT    8    5   24   25   26                                       
CONECT    9   10    4   27   28                                       
CONECT   10   15   15    9   11                                       
CONECT   11   10   12   30                                            
CONECT   12   14   11   13   13                                       
CONECT   13   12   12                                                 
CONECT   14   15   12   31                                            
CONECT   15   10   10   14   29                                       
CONECT   16    1                                                      
CONECT   17    4                                                      
CONECT   18    6                                                      
CONECT   19    6                                                      
CONECT   20    6                                                      
CONECT   21    7                                                      
CONECT   22    7                                                      
CONECT   23    7                                                      
CONECT   24    8                                                      
CONECT   25    8                                                      
CONECT   26    8                                                      
CONECT   27    9                                                      
CONECT   28    9                                                      
CONECT   29   15                                                      
CONECT   30   11                                                      
CONECT   31   14                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
