COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.596  -0.401  -0.291  1.00  0.00           C  
HETATM    2  C   UNL     1       2.240  -0.240  -0.055  1.00  0.00           C  
HETATM    3  C   UNL     1       5.931   0.230  -0.590  1.00  0.00           C  
HETATM    4  C   UNL     1       7.034  -0.826  -0.477  1.00  0.00           C  
HETATM    5  C   UNL     1       6.204   1.350   0.418  1.00  0.00           C  
HETATM    6  C   UNL     1       8.393  -0.166  -0.722  1.00  0.00           C  
HETATM    7  C   UNL     1       7.587   1.947   0.148  1.00  0.00           C  
HETATM    8  C   UNL     1      -8.201  -0.985  -0.028  1.00  0.00           C  
HETATM    9  C   UNL     1      -8.279   1.451  -0.576  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.008   0.541   0.463  1.00  0.00           C  
HETATM   11  O   UNL     1      -4.901   0.296  -0.505  1.00  0.00           O  
HETATM   12  N   UNL     1      -4.647   0.765   1.576  1.00  0.00           N  
HETATM   13  C   UNL     1      -2.510   0.552   0.294  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.130   0.378   0.040  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.968   0.666   1.342  1.00  0.00           C  
HETATM   16  S   UNL     1      -1.856  -1.112   0.600  1.00  0.00           S  
HETATM   17  C   UNL     1      -7.441   0.175  -0.675  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.122  -0.907   0.360  1.00  0.00           C  
HETATM   19  C   UNL     1      -7.175  -0.147  -2.147  1.00  0.00           C  
HETATM   20  S   UNL     1       0.690   0.596  -0.072  1.00  0.00           S  
HETATM   21  C   UNL     1       0.807  -1.865   0.480  1.00  0.00           C  
HETATM   22  N   UNL     1       2.051  -1.486   0.250  1.00  0.00           N  
HETATM   23  N   UNL     1       3.474   0.344  -0.331  1.00  0.00           N  
HETATM   24  O   UNL     1       4.531  -1.582  -0.021  1.00  0.00           O  
HETATM   25  N   UNL     1       8.607   0.897   0.268  1.00  0.00           N  
HETATM   26  H   UNL     1       5.922   0.641  -1.599  1.00  0.00           H  
HETATM   27  H   UNL     1       7.017  -1.266   0.520  1.00  0.00           H  
HETATM   28  H   UNL     1       6.869  -1.605  -1.222  1.00  0.00           H  
HETATM   29  H   UNL     1       5.446   2.127   0.313  1.00  0.00           H  
HETATM   30  H   UNL     1       6.174   0.945   1.429  1.00  0.00           H  
HETATM   31  H   UNL     1       9.181  -0.913  -0.628  1.00  0.00           H  
HETATM   32  H   UNL     1       8.414   0.261  -1.724  1.00  0.00           H  
HETATM   33  H   UNL     1       7.612   2.365  -0.859  1.00  0.00           H  
HETATM   34  H   UNL     1       7.790   2.736   0.873  1.00  0.00           H  
HETATM   35  H   UNL     1      -9.149  -1.132  -0.545  1.00  0.00           H  
HETATM   36  H   UNL     1      -7.604  -1.895  -0.099  1.00  0.00           H  
HETATM   37  H   UNL     1      -8.390  -0.756   1.020  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.738   2.278  -1.036  1.00  0.00           H  
HETATM   39  H   UNL     1      -9.228   1.305  -1.093  1.00  0.00           H  
HETATM   40  H   UNL     1      -8.469   1.681   0.473  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.261   0.859  -0.722  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.069   1.252   1.003  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.755   0.800   2.068  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.634   0.680  -2.608  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.578  -1.056  -2.218  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.124  -0.294  -2.664  1.00  0.00           H  
HETATM   47  H   UNL     1       0.554  -2.882   0.744  1.00  0.00           H  
HETATM   48  H   UNL     1       3.526   1.287  -0.551  1.00  0.00           H  
HETATM   49  H   UNL     1       9.535   1.284   0.188  1.00  0.00           H  
CONECT    1   24   24   23    3                                       
CONECT    2   20   22   22   23                                       
CONECT    3    5    1    4   26                                       
CONECT    4    3    6   27   28                                       
CONECT    5    7    3   29   30                                       
CONECT    6   25    4   31   32                                       
CONECT    7    5   25   33   34                                       
CONECT    8   17   35   36   37                                       
CONECT    9   17   38   39   40                                       
CONECT   10   12   12   11   13                                       
CONECT   11   14   10                                                 
CONECT   12   15   10   10                                            
CONECT   13   10   16   41   42                                       
CONECT   14   15   15   17   11                                       
CONECT   15   14   14   12   43                                       
CONECT   16   13   18                                                 
CONECT   17    9   19   14    8                                       
CONECT   18   16   20   21   21                                       
CONECT   19   17   44   45   46                                       
CONECT   20   18    2                                                 
CONECT   21   18   18   22   47                                       
CONECT   22   21    2    2                                            
CONECT   23    2    1   48                                            
CONECT   24    1    1                                                 
CONECT   25    7    6   49                                            
CONECT   26    3                                                      
CONECT   27    4                                                      
CONECT   28    4                                                      
CONECT   29    5                                                      
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32    6                                                      
CONECT   33    7                                                      
CONECT   34    7                                                      
CONECT   35    8                                                      
CONECT   36    8                                                      
CONECT   37    8                                                      
CONECT   38    9                                                      
CONECT   39    9                                                      
CONECT   40    9                                                      
CONECT   41   13                                                      
CONECT   42   13                                                      
CONECT   43   15                                                      
CONECT   44   19                                                      
CONECT   45   19                                                      
CONECT   46   19                                                      
CONECT   47   21                                                      
CONECT   48   23                                                      
CONECT   49   25                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
