COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.192  -0.266   0.586  1.00  0.00           C  
HETATM    2  C   UNL     1       3.520   0.909   0.908  1.00  0.00           C  
HETATM    3  O   UNL     1       4.815  -0.615  -1.765  1.00  0.00           O  
HETATM    4  S   UNL     1       5.827   0.052  -1.023  1.00  0.00           S  
HETATM    5  O   UNL     1       7.226  -0.128  -1.193  1.00  0.00           O  
HETATM    6  N   UNL     1       5.552   1.670  -1.241  1.00  0.00           N  
HETATM    7  O   UNL     1       5.544  -0.265   0.439  1.00  0.00           O  
HETATM    8  C   UNL     1       2.144   0.892   1.048  1.00  0.00           C  
HETATM    9  C   UNL     1       1.431  -0.286   0.872  1.00  0.00           C  
HETATM   10  C   UNL     1       2.096  -1.452   0.550  1.00  0.00           C  
HETATM   11  C   UNL     1       3.477  -1.429   0.404  1.00  0.00           C  
HETATM   12  O   UNL     1       4.211   2.068   1.080  1.00  0.00           O  
HETATM   13  C   UNL     1       3.250   3.079   1.392  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.059  -0.247   1.051  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.710  -1.444   0.345  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.032  -2.716   0.854  1.00  0.00           C  
HETATM   17  C   UNL     1       1.392  -2.752   0.301  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.657   1.063   0.559  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.185   1.071   0.759  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.750  -0.128   0.027  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.185  -1.412   0.696  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.322  -0.083  -1.441  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.258  -0.339   0.114  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.460  -1.874   0.070  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.039  -2.502   0.047  1.00  0.00           C  
HETATM   26  O   UNL     1      -4.909   0.281  -0.998  1.00  0.00           O  
HETATM   27  S   UNL     1      -6.240   0.813  -0.487  1.00  0.00           S  
HETATM   28  O   UNL     1      -6.712  -0.154   0.441  1.00  0.00           O  
HETATM   29  O   UNL     1      -6.944   1.261  -1.638  1.00  0.00           O  
HETATM   30  N   UNL     1      -5.921   2.172   0.403  1.00  0.00           N  
HETATM   31  H   UNL     1       5.264   2.218  -0.494  1.00  0.00           H  
HETATM   32  H   UNL     1       5.678   2.070  -2.116  1.00  0.00           H  
HETATM   33  H   UNL     1       1.620   1.803   1.296  1.00  0.00           H  
HETATM   34  H   UNL     1       4.000  -2.332   0.128  1.00  0.00           H  
HETATM   35  H   UNL     1       3.760   4.031   1.539  1.00  0.00           H  
HETATM   36  H   UNL     1       2.539   3.170   0.571  1.00  0.00           H  
HETATM   37  H   UNL     1       2.719   2.806   2.304  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.270  -0.333   2.117  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.583  -1.363  -0.735  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.003  -2.707   1.943  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.583  -3.590   0.507  1.00  0.00           H  
HETATM   42  H   UNL     1       1.950  -3.544   0.802  1.00  0.00           H  
HETATM   43  H   UNL     1       1.355  -2.964  -0.768  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.217   1.890   1.116  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.433   1.185  -0.501  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.419   1.000   1.821  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.607   1.988   0.348  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.340  -1.397   1.775  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.237   0.006  -1.500  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.639  -0.999  -1.940  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.784   0.775  -1.928  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.643   0.066   1.050  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.002  -2.206   0.955  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.007  -2.154  -0.831  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.012  -3.415   0.643  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.720  -2.698  -0.976  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.007   2.479   0.510  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.649   2.662   0.817  1.00  0.00           H  
CONECT    1    2    7   11   11                                       
CONECT    2    1    8    8   12                                       
CONECT    3    4    4                                                 
CONECT    4    3    3    5    5                                       
CONECT    4    6    7                                                 
CONECT    5    4    4                                                 
CONECT    6    4   31   32                                            
CONECT    7    1    4                                                 
CONECT    8    2    2    9   33                                       
CONECT    9    8   10   10   14                                       
CONECT   10    9    9   11   17                                       
CONECT   11    1    1   10   34                                       
CONECT   12    2   13                                                 
CONECT   13   12   35   36   37                                       
CONECT   14    9   15   18   38                                       
CONECT   15   14   16   21   39                                       
CONECT   16   15   17   40   41                                       
CONECT   17   10   16   42   43                                       
CONECT   18   14   19   44   45                                       
CONECT   19   18   20   46   47                                       
CONECT   20   19   21   22   23                                       
CONECT   21   15   20   25   48                                       
CONECT   22   20   49   50   51                                       
CONECT   23   20   24   26   52                                       
CONECT   24   23   25   53   54                                       
CONECT   25   21   24   55   56                                       
CONECT   26   23   27                                                 
CONECT   27   26   28   28   29                                       
CONECT   27   29   30                                                 
CONECT   28   27   27                                                 
CONECT   29   27   27                                                 
CONECT   30   27   57   58                                            
CONECT   31    6                                                      
CONECT   32    6                                                      
CONECT   33    8                                                      
CONECT   34   11                                                      
CONECT   35   13                                                      
CONECT   36   13                                                      
CONECT   37   13                                                      
CONECT   38   14                                                      
CONECT   39   15                                                      
CONECT   40   16                                                      
CONECT   41   16                                                      
CONECT   42   17                                                      
CONECT   43   17                                                      
CONECT   44   18                                                      
CONECT   45   18                                                      
CONECT   46   19                                                      
CONECT   47   19                                                      
CONECT   48   21                                                      
CONECT   49   22                                                      
CONECT   50   22                                                      
CONECT   51   22                                                      
CONECT   52   23                                                      
CONECT   53   24                                                      
CONECT   54   24                                                      
CONECT   55   25                                                      
CONECT   56   25                                                      
CONECT   57   30                                                      
CONECT   58   30                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
