COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.378   1.216   0.224  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.315  -0.119  -0.058  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.599  -0.162   0.646  1.00  0.00           N  
HETATM    4  S   UNL     1      -2.990   0.273  -0.140  1.00  0.00           S  
HETATM    5  O   UNL     1      -3.215  -0.742  -1.252  1.00  0.00           O  
HETATM    6  O   UNL     1      -4.050   0.093   0.789  1.00  0.00           O  
HETATM    7  O   UNL     1      -2.718   1.513  -0.778  1.00  0.00           O  
HETATM    8  C   UNL     1       0.577  -1.263   0.434  1.00  0.00           C  
HETATM    9  O   UNL     1      -0.028  -2.516   0.110  1.00  0.00           O  
HETATM   10  C   UNL     1       1.943  -1.161  -0.251  1.00  0.00           C  
HETATM   11  C   UNL     1       2.549   0.215   0.038  1.00  0.00           C  
HETATM   12  O   UNL     1       1.655   1.233  -0.417  1.00  0.00           O  
HETATM   13  C   UNL     1       3.887   0.347  -0.693  1.00  0.00           C  
HETATM   14  O   UNL     1       4.508   1.582  -0.331  1.00  0.00           O  
HETATM   15  O   UNL     1       2.808  -2.180   0.255  1.00  0.00           O  
HETATM   16  O   UNL     1       0.550   1.376   1.633  1.00  0.00           O  
HETATM   17  H   UNL     1      -0.233   2.032  -0.163  1.00  0.00           H  
HETATM   18  H   UNL     1      -0.484  -0.223  -1.130  1.00  0.00           H  
HETATM   19  H   UNL     1      -1.635  -0.446   1.573  1.00  0.00           H  
HETATM   20  H   UNL     1      -4.010  -0.578  -1.779  1.00  0.00           H  
HETATM   21  H   UNL     1       0.703  -1.188   1.515  1.00  0.00           H  
HETATM   22  H   UNL     1       0.484  -3.285   0.393  1.00  0.00           H  
HETATM   23  H   UNL     1       1.821  -1.286  -1.327  1.00  0.00           H  
HETATM   24  H   UNL     1       2.709   0.324   1.111  1.00  0.00           H  
HETATM   25  H   UNL     1       4.537  -0.482  -0.413  1.00  0.00           H  
HETATM   26  H   UNL     1       3.717   0.327  -1.769  1.00  0.00           H  
HETATM   27  H   UNL     1       5.362   1.733  -0.758  1.00  0.00           H  
HETATM   28  H   UNL     1       3.693  -2.174  -0.136  1.00  0.00           H  
HETATM   29  H   UNL     1       0.984   2.203   1.885  1.00  0.00           H  
CONECT    1    2   12   16   17                                       
CONECT    2    1    3    8   18                                       
CONECT    3    2    4   19                                            
CONECT    4    3    5    6    6                                       
CONECT    4    7    7                                                 
CONECT    5    4   20                                                 
CONECT    6    4    4                                                 
CONECT    7    4    4                                                 
CONECT    8    2    9   10   21                                       
CONECT    9    8   22                                                 
CONECT   10    8   11   15   23                                       
CONECT   11   10   12   13   24                                       
CONECT   12    1   11                                                 
CONECT   13   11   14   25   26                                       
CONECT   14   13   27                                                 
CONECT   15   10   28                                                 
CONECT   16    1   29                                                 
CONECT   17    1                                                      
CONECT   18    2                                                      
CONECT   19    3                                                      
CONECT   20    5                                                      
CONECT   21    8                                                      
CONECT   22    9                                                      
CONECT   23   10                                                      
CONECT   24   11                                                      
CONECT   25   13                                                      
CONECT   26   13                                                      
CONECT   27   14                                                      
CONECT   28   15                                                      
CONECT   29   16                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
