COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.714  -0.003   0.868  1.00  0.00           C  
HETATM    2  C   UNL     1       5.122   1.196   0.516  1.00  0.00           C  
HETATM    3  C   UNL     1       3.939   1.198  -0.199  1.00  0.00           C  
HETATM    4  C   UNL     1       3.343   0.002  -0.553  1.00  0.00           C  
HETATM    5  C   UNL     1       3.936  -1.197  -0.201  1.00  0.00           C  
HETATM    6  C   UNL     1       5.121  -1.199   0.510  1.00  0.00           C  
HETATM    7  C   UNL     1       2.051   0.004  -1.328  1.00  0.00           C  
HETATM    8  N   UNL     1       0.918   0.001  -0.392  1.00  0.00           N1+
HETATM    9  C   UNL     1      -0.342   0.003  -1.148  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.833   0.003  -0.960  1.00  0.00           C  
HETATM   11  S   UNL     1      -4.231   0.000   0.196  1.00  0.00           S  
HETATM   12  C   UNL     1       0.982   1.198   0.457  1.00  0.00           C  
HETATM   13  C   UNL     1       0.982  -1.201   0.450  1.00  0.00           C  
HETATM   14  O   UNL     1      -4.164  -1.192   1.028  1.00  0.00           O1-
HETATM   15  O   UNL     1      -4.164   1.186   1.035  1.00  0.00           O  
HETATM   16  O   UNL     1      -5.476   0.002  -0.556  1.00  0.00           O  
HETATM   17  C   UNL     1      -1.521   0.001  -0.173  1.00  0.00           C  
HETATM   18  H   UNL     1       6.640  -0.004   1.424  1.00  0.00           H  
HETATM   19  H   UNL     1       5.585   2.130   0.796  1.00  0.00           H  
HETATM   20  H   UNL     1       3.476   2.134  -0.475  1.00  0.00           H  
HETATM   21  H   UNL     1       3.472  -2.131  -0.481  1.00  0.00           H  
HETATM   22  H   UNL     1       5.584  -2.135   0.785  1.00  0.00           H  
HETATM   23  H   UNL     1       2.003  -0.884  -1.958  1.00  0.00           H  
HETATM   24  H   UNL     1       2.003   0.896  -1.953  1.00  0.00           H  
HETATM   25  H   UNL     1      -0.389   0.895  -1.773  1.00  0.00           H  
HETATM   26  H   UNL     1      -0.389  -0.885  -1.778  1.00  0.00           H  
HETATM   27  H   UNL     1      -2.880   0.895  -1.585  1.00  0.00           H  
HETATM   28  H   UNL     1      -2.880  -0.885  -1.590  1.00  0.00           H  
HETATM   29  H   UNL     1       1.917   1.196   1.017  1.00  0.00           H  
HETATM   30  H   UNL     1       0.935   2.090  -0.168  1.00  0.00           H  
HETATM   31  H   UNL     1       0.142   1.196   1.151  1.00  0.00           H  
HETATM   32  H   UNL     1       0.142  -1.203   1.144  1.00  0.00           H  
HETATM   33  H   UNL     1       0.935  -2.089  -0.180  1.00  0.00           H  
HETATM   34  H   UNL     1       1.917  -1.202   1.010  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.473  -0.891   0.452  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.473   0.889   0.457  1.00  0.00           H  
CONECT    1    2    6    6   18                                       
CONECT    2    1    3    3   19                                       
CONECT    3    2    2    4   20                                       
CONECT    4    3    5    5    7                                       
CONECT    5    4    4    6   21                                       
CONECT    6    1    1    5   22                                       
CONECT    7    4    8   23   24                                       
CONECT    8    7    9   12   13                                       
CONECT    9    8   17   25   26                                       
CONECT   10   11   17   27   28                                       
CONECT   11   10   14   15   15                                       
CONECT   11   16   16                                                 
CONECT   12    8   29   30   31                                       
CONECT   13    8   32   33   34                                       
CONECT   14   11                                                      
CONECT   15   11   11                                                 
CONECT   16   11   11                                                 
CONECT   17    9   10   35   36                                       
CONECT   18    1                                                      
CONECT   19    2                                                      
CONECT   20    3                                                      
CONECT   21    5                                                      
CONECT   22    6                                                      
CONECT   23    7                                                      
CONECT   24    7                                                      
CONECT   25    9                                                      
CONECT   26    9                                                      
CONECT   27   10                                                      
CONECT   28   10                                                      
CONECT   29   12                                                      
CONECT   30   12                                                      
CONECT   31   12                                                      
CONECT   32   13                                                      
CONECT   33   13                                                      
CONECT   34   13                                                      
CONECT   35   17                                                      
CONECT   36   17                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
