COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNK     1       0.261   3.863  -0.272  1.00  0.00           C  
HETATM    2  C   UNK     1       0.314   3.784  -1.789  1.00  0.00           C  
HETATM    3  O   UNK     1      -0.510   3.184  -2.469  1.00  0.00           O  
HETATM    4  O   UNK     1       1.376   4.434  -2.322  1.00  0.00           O  
HETATM    5  N   UNK     1      -0.939   3.264   0.256  1.00  0.00           N  
HETATM    6  C   UNK     1       1.522   3.295   0.384  1.00  0.00           C  
HETATM    7  S   UNK     1       1.832   1.542  -0.014  1.00  0.00           S  
HETATM    8  C   UNK     1       3.317   1.290   0.905  1.00  0.00           C  
HETATM    9  C   UNK     1       4.587   1.519   0.326  1.00  0.00           C  
HETATM   10  C   UNK     1       5.762   1.320   1.053  1.00  0.00           C  
HETATM   11  C   UNK     1       5.698   0.887   2.377  1.00  0.00           C  
HETATM   12  C   UNK     1       4.459   0.653   2.975  1.00  0.00           C  
HETATM   13  C   UNK     1       3.285   0.852   2.249  1.00  0.00           C  
HETATM   14  N   UNK     1       4.710   1.962  -1.022  1.00  0.00           N1+
HETATM   15  N   UNK     1       6.893   0.685   3.116  1.00  0.00           N1+
HETATM   16  N   UNK     1       2.048   0.598   2.908  1.00  0.00           N1+
HETATM   17  O   UNK     1       3.669   2.147  -1.693  1.00  0.00           O  
HETATM   18  O   UNK     1       5.855   2.152  -1.493  1.00  0.00           O1-
HETATM   19  O   UNK     1       6.813   0.295   4.306  1.00  0.00           O  
HETATM   20  O   UNK     1       7.996   0.901   2.560  1.00  0.00           O1-
HETATM   21  O   UNK     1       0.981   0.770   2.275  1.00  0.00           O  
HETATM   22  O   UNK     1       2.067   0.210   4.099  1.00  0.00           O1-
HETATM   23  H   UNK     1       0.183   4.928  -0.026  1.00  0.00           H  
HETATM   24  H   UNK     1       1.397   4.362  -3.300  1.00  0.00           H  
HETATM   25  H   UNK     1      -1.509   2.697  -0.349  1.00  0.00           H  
HETATM   26  H   UNK     1      -1.293   3.581   1.143  1.00  0.00           H  
HETATM   27  H   UNK     1       1.440   3.371   1.474  1.00  0.00           H  
HETATM   28  H   UNK     1       2.404   3.866   0.077  1.00  0.00           H  
HETATM   29  H   UNK     1       6.729   1.502   0.588  1.00  0.00           H  
HETATM   30  H   UNK     1       4.412   0.315   4.009  1.00  0.00           H  
CONECT    1    2    5    6   23                                       
CONECT    2    1    3    3    4                                       
CONECT    3    2    2                                                 
CONECT    4    2   24                                                 
CONECT    5    1   25   26                                            
CONECT    6    1    7   27   28                                       
CONECT    7    6    8                                                 
CONECT    8    7    9    9   13                                       
CONECT    9    8    8   10   14                                       
CONECT   10    9   11   11   29                                       
CONECT   11   10   10   12   15                                       
CONECT   12   11   13   13   30                                       
CONECT   13    8   12   12   16                                       
CONECT   14    9   17   17   18                                       
CONECT   15   11   19   19   20                                       
CONECT   16   13   21   21   22                                       
CONECT   17   14   14                                                 
CONECT   18   14                                                      
CONECT   19   15   15                                                 
CONECT   20   15                                                      
CONECT   21   16   16                                                 
CONECT   22   16                                                      
CONECT   23    1                                                      
CONECT   24    4                                                      
CONECT   25    5                                                      
CONECT   26    5                                                      
CONECT   27    6                                                      
CONECT   28    6                                                      
CONECT   29   10                                                      
CONECT   30   12                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
