COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  B   UNL     1      -1.544  -0.005  -1.226  1.00  0.00           B1-
HETATM    2  C   UNL     1      -5.099   0.837   0.721  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.158  -0.160   1.345  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.209  -0.704   0.276  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.339  -1.808   0.881  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.368  -2.325  -0.186  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.546  -1.146  -0.719  1.00  0.00           C  
HETATM    8  C   UNL     1       1.592  -0.314   0.102  1.00  0.00           C  
HETATM    9  C   UNL     1       2.464   0.231   1.203  1.00  0.00           C  
HETATM   10  C   UNL     1       3.850   0.484   0.668  1.00  0.00           C  
HETATM   11  C   UNL     1       4.268   1.630   0.127  1.00  0.00           C  
HETATM   12  C   UNL     1       5.586   1.628  -0.296  1.00  0.00           C  
HETATM   13  C   UNL     1       6.239   0.481  -0.099  1.00  0.00           C  
HETATM   14  N   UNL     1       0.303  -0.616   0.352  1.00  0.00           N  
HETATM   15  O   UNL     1      -5.019   1.088  -0.458  1.00  0.00           O  
HETATM   16  O   UNL     1      -6.027   1.448   1.475  1.00  0.00           O  
HETATM   17  O   UNL     1       2.050  -0.481  -1.008  1.00  0.00           O  
HETATM   18  O   UNL     1      -0.824   1.084  -1.632  1.00  0.00           O  
HETATM   19  O   UNL     1      -2.284  -0.479  -2.273  1.00  0.00           O  
HETATM   20  O   UNL     1      -2.377   0.354  -0.203  1.00  0.00           O  
HETATM   21  S   UNL     1       5.166  -0.683   0.667  1.00  0.00           S  
HETATM   22  H   UNL     1      -3.580   0.327   2.131  1.00  0.00           H  
HETATM   23  H   UNL     1      -4.732  -0.982   1.773  1.00  0.00           H  
HETATM   24  H   UNL     1      -3.789  -1.112  -0.551  1.00  0.00           H  
HETATM   25  H   UNL     1      -1.774  -1.407   1.723  1.00  0.00           H  
HETATM   26  H   UNL     1      -2.973  -2.625   1.224  1.00  0.00           H  
HETATM   27  H   UNL     1      -0.701  -3.066   0.255  1.00  0.00           H  
HETATM   28  H   UNL     1      -1.930  -2.777  -1.003  1.00  0.00           H  
HETATM   29  H   UNL     1       0.077  -1.481  -1.548  1.00  0.00           H  
HETATM   30  H   UNL     1       2.042   1.165   1.573  1.00  0.00           H  
HETATM   31  H   UNL     1       2.516  -0.492   2.018  1.00  0.00           H  
HETATM   32  H   UNL     1       3.627   2.493   0.027  1.00  0.00           H  
HETATM   33  H   UNL     1       6.051   2.490  -0.752  1.00  0.00           H  
HETATM   34  H   UNL     1       7.269   0.298  -0.366  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.064  -0.483   1.240  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.608   2.080   1.030  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.366   1.817  -1.953  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.913   0.163  -2.632  1.00  0.00           H  
CONECT    1   18    7   19   20                                       
CONECT    2    3   15   15   16                                       
CONECT    3    4    2   22   23                                       
CONECT    4    5   20    3   24                                       
CONECT    5    6    4   25   26                                       
CONECT    6    7    5   27   28                                       
CONECT    7   14    1    6   29                                       
CONECT    8    9   14   17   17                                       
CONECT    9   10    8   30   31                                       
CONECT   10    9   11   11   21                                       
CONECT   11   10   10   12   32                                       
CONECT   12   11   13   13   33                                       
CONECT   13   12   12   21   34                                       
CONECT   14    8    7   35                                            
CONECT   15    2    2                                                 
CONECT   16    2   36                                                 
CONECT   17    8    8                                                 
CONECT   18    1   37                                                 
CONECT   19    1   38                                                 
CONECT   20    1    4                                                 
CONECT   21   10   13                                                 
CONECT   22    3                                                      
CONECT   23    3                                                      
CONECT   24    4                                                      
CONECT   25    5                                                      
CONECT   26    5                                                      
CONECT   27    6                                                      
CONECT   28    6                                                      
CONECT   29    7                                                      
CONECT   30    9                                                      
CONECT   31    9                                                      
CONECT   32   11                                                      
CONECT   33   12                                                      
CONECT   34   13                                                      
CONECT   35   14                                                      
CONECT   36   16                                                      
CONECT   37   18                                                      
CONECT   38   19                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
