COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.103   0.690  -1.201  1.00  0.00           C  
HETATM    2  C   UNL     1       2.283  -0.046  -0.040  1.00  0.00           C  
HETATM    3  C   UNL     1       1.734   1.232  -0.010  1.00  0.00           C  
HETATM    4  C   UNL     1       3.671  -0.186   0.001  1.00  0.00           C  
HETATM    5  C   UNL     1       4.452   0.975   0.065  1.00  0.00           C  
HETATM    6  C   UNL     1       3.828   2.205   0.086  1.00  0.00           C  
HETATM    7  C   UNL     1       4.301  -1.525  -0.023  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.516   0.211  -0.113  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.979   0.658  -0.140  1.00  0.00           C  
HETATM   10  N   UNL     1       2.512   2.300   0.051  1.00  0.00           N  
HETATM   11  N   UNL     1       0.353   1.389  -0.045  1.00  0.00           N  
HETATM   12  N   UNL     1      -2.848  -0.520  -0.208  1.00  0.00           N  
HETATM   13  O   UNL     1      -4.509   0.299   1.371  1.00  0.00           O  
HETATM   14  O   UNL     1       3.608  -2.521  -0.078  1.00  0.00           O  
HETATM   15  O   UNL     1       5.642  -1.640   0.018  1.00  0.00           O  
HETATM   16  O   UNL     1      -4.969  -1.697  -0.016  1.00  0.00           O  
HETATM   17  S   UNL     1      -4.464  -0.376   0.121  1.00  0.00           S  
HETATM   18  H   UNL     1      -6.173   0.840  -1.062  1.00  0.00           H  
HETATM   19  H   UNL     1      -4.594   1.653  -1.169  1.00  0.00           H  
HETATM   20  H   UNL     1      -4.924   0.217  -2.167  1.00  0.00           H  
HETATM   21  H   UNL     1       1.645  -0.916  -0.089  1.00  0.00           H  
HETATM   22  H   UNL     1       5.529   0.908   0.098  1.00  0.00           H  
HETATM   23  H   UNL     1       4.425   3.104   0.135  1.00  0.00           H  
HETATM   24  H   UNL     1      -0.344  -0.418   0.760  1.00  0.00           H  
HETATM   25  H   UNL     1      -0.292  -0.354  -1.018  1.00  0.00           H  
HETATM   26  H   UNL     1      -2.203   1.223   0.765  1.00  0.00           H  
HETATM   27  H   UNL     1      -2.151   1.287  -1.013  1.00  0.00           H  
HETATM   28  H   UNL     1      -0.035   2.277  -0.024  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.477  -1.383  -0.446  1.00  0.00           H  
HETATM   30  H   UNL     1       6.007  -2.535   0.000  1.00  0.00           H  
CONECT    1   17   18   19   20                                       
CONECT    2    4    4    3   21                                       
CONECT    3   10   10    2   11                                       
CONECT    4    5    7    2    2                                       
CONECT    5    6    6    4   22                                       
CONECT    6    5    5   10   23                                       
CONECT    7   14   14    4   15                                       
CONECT    8    9   11   24   25                                       
CONECT    9   12    8   26   27                                       
CONECT   10    6    3    3                                            
CONECT   11    3    8   28                                            
CONECT   12    9   17   29                                            
CONECT   13   17   17                                                 
CONECT   14    7    7                                                 
CONECT   15    7   30                                                 
CONECT   16   17   17                                                 
CONECT   17   16   16    1   13                                       
CONECT   17   13   12                                                 
CONECT   18    1                                                      
CONECT   19    1                                                      
CONECT   20    1                                                      
CONECT   21    2                                                      
CONECT   22    5                                                      
CONECT   23    6                                                      
CONECT   24    8                                                      
CONECT   25    8                                                      
CONECT   26    9                                                      
CONECT   27    9                                                      
CONECT   28   11                                                      
CONECT   29   12                                                      
CONECT   30   15                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
