COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       5.631  -0.359   2.089  1.00  0.00           O  
HETATM    2  S   UNL     1       5.051   0.460   1.082  1.00  0.00           S  
HETATM    3  O   UNL     1       4.926   1.870   1.203  1.00  0.00           O  
HETATM    4  N   UNL     1       5.918   0.184  -0.302  1.00  0.00           N  
HETATM    5  C   UNL     1       5.608   0.933  -1.522  1.00  0.00           C  
HETATM    6  C   UNL     1       4.125   0.769  -1.859  1.00  0.00           C  
HETATM    7  C   UNL     1       5.920   2.415  -1.303  1.00  0.00           C  
HETATM    8  C   UNL     1       6.456   0.399  -2.678  1.00  0.00           C  
HETATM    9  C   UNL     1       3.425  -0.163   0.811  1.00  0.00           C  
HETATM   10  C   UNL     1       3.205  -1.528   0.786  1.00  0.00           C  
HETATM   11  C   UNL     1       1.933  -2.021   0.575  1.00  0.00           C  
HETATM   12  C   UNL     1       0.870  -1.140   0.387  1.00  0.00           C  
HETATM   13  C   UNL     1       1.097   0.235   0.413  1.00  0.00           C  
HETATM   14  C   UNL     1       2.372   0.716   0.631  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.500  -1.664   0.159  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.732  -3.047   0.132  1.00  0.00           C  
HETATM   17  N   UNL     1      -1.929  -3.537  -0.068  1.00  0.00           N  
HETATM   18  C   UNL     1      -2.990  -2.744  -0.255  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.267  -3.290  -0.467  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.339  -2.471  -0.656  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.198  -1.087  -0.644  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.963  -0.508  -0.439  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.836  -1.335  -0.240  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.562  -0.789  -0.023  1.00  0.00           C  
HETATM   25  N   UNL     1      -3.828   0.878  -0.429  1.00  0.00           N  
HETATM   26  C   UNL     1      -4.917   1.680  -0.105  1.00  0.00           C  
HETATM   27  N   UNL     1      -6.061   1.118   0.259  1.00  0.00           N  
HETATM   28  C   UNL     1      -7.117   1.843   0.575  1.00  0.00           C  
HETATM   29  C   UNL     1      -7.067   3.222   0.538  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.887   3.850   0.162  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.794   3.064  -0.159  1.00  0.00           C  
HETATM   32  H   UNL     1       6.631  -0.474  -0.305  1.00  0.00           H  
HETATM   33  H   UNL     1       3.525   1.336  -1.146  1.00  0.00           H  
HETATM   34  H   UNL     1       3.938   1.139  -2.867  1.00  0.00           H  
HETATM   35  H   UNL     1       3.854  -0.285  -1.803  1.00  0.00           H  
HETATM   36  H   UNL     1       6.938   2.521  -0.928  1.00  0.00           H  
HETATM   37  H   UNL     1       5.823   2.950  -2.248  1.00  0.00           H  
HETATM   38  H   UNL     1       5.220   2.831  -0.577  1.00  0.00           H  
HETATM   39  H   UNL     1       6.234  -0.656  -2.834  1.00  0.00           H  
HETATM   40  H   UNL     1       6.225   0.957  -3.586  1.00  0.00           H  
HETATM   41  H   UNL     1       7.513   0.516  -2.438  1.00  0.00           H  
HETATM   42  H   UNL     1       4.030  -2.210   0.932  1.00  0.00           H  
HETATM   43  H   UNL     1       1.763  -3.087   0.555  1.00  0.00           H  
HETATM   44  H   UNL     1       0.276   0.922   0.268  1.00  0.00           H  
HETATM   45  H   UNL     1       2.549   1.781   0.652  1.00  0.00           H  
HETATM   46  H   UNL     1       0.097  -3.724   0.278  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.400  -4.362  -0.480  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.315  -2.903  -0.818  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.064  -0.460  -0.797  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.411   0.280  -0.005  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.975   1.284  -0.649  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.033   1.350   0.867  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.937   3.807   0.797  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.822   4.927   0.125  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.860   3.520  -0.451  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    9    3    3    1                                       
CONECT    2    1    4                                                 
CONECT    3    2    2                                                 
CONECT    4    2    5   32                                            
CONECT    5    4    8    7    6                                       
CONECT    6    5   33   34   35                                       
CONECT    7    5   36   37   38                                       
CONECT    8    5   39   40   41                                       
CONECT    9   10   10   14    2                                       
CONECT   10   11    9    9   42                                       
CONECT   11   12   12   10   43                                       
CONECT   12   15   11   11   13                                       
CONECT   13   12   14   14   44                                       
CONECT   14   13   13    9   45                                       
CONECT   15   16   16   24   12                                       
CONECT   16   17   15   15   46                                       
CONECT   17   18   18   16                                            
CONECT   18   19   17   17   23                                       
CONECT   19   20   20   18   47                                       
CONECT   20   19   19   21   48                                       
CONECT   21   20   22   22   49                                       
CONECT   22   21   21   23   25                                       
CONECT   23   18   22   24   24                                       
CONECT   24   23   23   15   50                                       
CONECT   25   22   26   51                                            
CONECT   26   25   31   31   27                                       
CONECT   27   26   28   28                                            
CONECT   28   27   27   29   52                                       
CONECT   29   30   30   28   53                                       
CONECT   30   31   29   29   54                                       
CONECT   31   26   26   30   55                                       
CONECT   32    4                                                      
CONECT   33    6                                                      
CONECT   34    6                                                      
CONECT   35    6                                                      
CONECT   36    7                                                      
CONECT   37    7                                                      
CONECT   38    7                                                      
CONECT   39    8                                                      
CONECT   40    8                                                      
CONECT   41    8                                                      
CONECT   42   10                                                      
CONECT   43   11                                                      
CONECT   44   13                                                      
CONECT   45   14                                                      
CONECT   46   16                                                      
CONECT   47   19                                                      
CONECT   48   20                                                      
CONECT   49   21                                                      
CONECT   50   24                                                      
CONECT   51   25                                                      
CONECT   52   28                                                      
CONECT   53   29                                                      
CONECT   54   30                                                      
CONECT   55   31                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
