COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.184   0.506  -0.369  1.00  0.00           C  
HETATM    2  N   UNL     1       3.921   2.486   0.426  1.00  0.00           N1+
HETATM    3  O   UNL     1       4.903   3.194   0.295  1.00  0.00           O1-
HETATM    4  S   UNL     1       0.086   0.225  -0.495  1.00  0.00           S  
HETATM    5  C   UNL     1       3.996   1.046   0.091  1.00  0.00           C  
HETATM    6  N   UNL     1      -1.777  -1.333   0.052  1.00  0.00           N  
HETATM    7  O   UNL     1       2.876   2.963   0.831  1.00  0.00           O  
HETATM    8  C   UNL     1       2.883   0.246   0.239  1.00  0.00           C  
HETATM    9  N   UNL     1      -2.585   0.813  -0.550  1.00  0.00           N  
HETATM   10  O   UNL     1       1.904  -3.168   0.310  1.00  0.00           O  
HETATM   11  C   UNL     1       2.956  -1.112  -0.077  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.781  -3.410   0.625  1.00  0.00           N  
HETATM   13  C   UNL     1       4.156  -1.651  -0.540  1.00  0.00           C  
HETATM   14  C   UNL     1       5.262  -0.838  -0.688  1.00  0.00           C  
HETATM   15  C   UNL     1       1.766  -1.977   0.085  1.00  0.00           C  
HETATM   16  C   UNL     1       0.476  -1.427  -0.021  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.715  -2.084   0.228  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.582  -0.102  -0.323  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.986   0.425  -0.371  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.877   1.320  -1.234  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.341   0.914  -1.048  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.730   1.072   0.423  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.839   0.176   1.286  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.376   0.582   1.100  1.00  0.00           C  
HETATM   25  H   UNL     1       6.053   1.137  -0.483  1.00  0.00           H  
HETATM   26  H   UNL     1       1.956   0.669   0.598  1.00  0.00           H  
HETATM   27  H   UNL     1      -2.364   1.716  -0.828  1.00  0.00           H  
HETATM   28  H   UNL     1      -1.643  -3.826   0.787  1.00  0.00           H  
HETATM   29  H   UNL     1       0.034  -3.923   0.740  1.00  0.00           H  
HETATM   30  H   UNL     1       4.219  -2.700  -0.786  1.00  0.00           H  
HETATM   31  H   UNL     1       6.192  -1.254  -1.047  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.115  -0.615  -0.672  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.748   2.360  -0.933  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.600   1.207  -2.282  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.976   1.552  -1.662  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.470  -0.126  -1.348  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.601   2.111   0.724  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.773   0.782   0.556  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.116   0.289   2.334  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.968  -0.863   0.985  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.740  -0.055   1.714  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.246   1.622   1.400  1.00  0.00           H  
CONECT    1    5   25   14   14                                       
CONECT    2    3    7    7    5                                       
CONECT    3    2                                                      
CONECT    4   16   18                                                 
CONECT    5    1    2    8    8                                       
CONECT    6   18   18   17                                            
CONECT    7    2    2                                                 
CONECT    8    5    5   26   11                                       
CONECT    9   19   27   18                                            
CONECT   10   15   15                                                 
CONECT   11   13   13    8   15                                       
CONECT   12   17   28   29                                            
CONECT   13   11   11   14   30                                       
CONECT   14   13    1    1   31                                       
CONECT   15   10   10   11   16                                       
CONECT   16   15    4   17   17                                       
CONECT   17   12    6   16   16                                       
CONECT   18    6    6    9    4                                       
CONECT   19    9   20   24   32                                       
CONECT   20   19   21   33   34                                       
CONECT   21   20   22   35   36                                       
CONECT   22   21   37   38   23                                       
CONECT   23   22   39   40   24                                       
CONECT   24   19   23   41   42                                       
CONECT   25    1                                                      
CONECT   26    8                                                      
CONECT   27    9                                                      
CONECT   28   12                                                      
CONECT   29   12                                                      
CONECT   30   13                                                      
CONECT   31   14                                                      
CONECT   32   19                                                      
CONECT   33   20                                                      
CONECT   34   20                                                      
CONECT   35   21                                                      
CONECT   36   21                                                      
CONECT   37   22                                                      
CONECT   38   22                                                      
CONECT   39   23                                                      
CONECT   40   23                                                      
CONECT   41   24                                                      
CONECT   42   24                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
