COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.608   0.078   0.012  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.488   0.338   1.325  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.885  -0.227  -0.728  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.500  -0.578   0.358  1.00  0.00           C  
HETATM    5  C   UNL     1      -8.848   0.954  -0.590  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.573  -0.461  -2.207  1.00  0.00           C  
HETATM    7  C   UNL     1      -8.529  -1.482  -0.137  1.00  0.00           C  
HETATM    8  C   UNL     1       0.524  -1.437   0.452  1.00  0.00           C  
HETATM    9  C   UNL     1       1.783   0.353   0.008  1.00  0.00           C  
HETATM   10  N   UNL     1      -5.187   0.562   1.580  1.00  0.00           N  
HETATM   11  C   UNL     1      -4.518   0.447   0.469  1.00  0.00           C  
HETATM   12  O   UNL     1      -5.371   0.148  -0.519  1.00  0.00           O  
HETATM   13  C   UNL     1      -3.029   0.622   0.319  1.00  0.00           C  
HETATM   14  S   UNL     1      -2.204  -0.975   0.568  1.00  0.00           S  
HETATM   15  N   UNL     1       1.724  -0.917   0.262  1.00  0.00           N  
HETATM   16  N   UNL     1       2.950   1.076  -0.220  1.00  0.00           N  
HETATM   17  C   UNL     1       4.146   0.454  -0.185  1.00  0.00           C  
HETATM   18  O   UNL     1       4.204  -0.735   0.045  1.00  0.00           O  
HETATM   19  C   UNL     1       5.410   1.237  -0.432  1.00  0.00           C  
HETATM   20  C   UNL     1       5.537   2.344   0.617  1.00  0.00           C  
HETATM   21  C   UNL     1       6.598   0.315  -0.336  1.00  0.00           C  
HETATM   22  C   UNL     1       6.848  -0.371   0.837  1.00  0.00           C  
HETATM   23  C   UNL     1       7.938  -1.217   0.924  1.00  0.00           C  
HETATM   24  C   UNL     1       8.778  -1.376  -0.162  1.00  0.00           C  
HETATM   25  C   UNL     1       8.527  -0.691  -1.336  1.00  0.00           C  
HETATM   26  C   UNL     1       7.435   0.152  -1.425  1.00  0.00           C  
HETATM   27  S   UNL     1       0.152   1.019  -0.004  1.00  0.00           S  
HETATM   28  H   UNL     1      -7.293   0.362   2.046  1.00  0.00           H  
HETATM   29  H   UNL     1      -8.389   1.849  -1.010  1.00  0.00           H  
HETATM   30  H   UNL     1      -9.772   0.733  -1.125  1.00  0.00           H  
HETATM   31  H   UNL     1      -9.070   1.121   0.465  1.00  0.00           H  
HETATM   32  H   UNL     1      -7.114   0.434  -2.628  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.887  -1.301  -2.305  1.00  0.00           H  
HETATM   34  H   UNL     1      -8.497  -0.681  -2.742  1.00  0.00           H  
HETATM   35  H   UNL     1      -9.452  -1.703  -0.672  1.00  0.00           H  
HETATM   36  H   UNL     1      -7.842  -2.323  -0.235  1.00  0.00           H  
HETATM   37  H   UNL     1      -8.750  -1.316   0.917  1.00  0.00           H  
HETATM   38  H   UNL     1       0.379  -2.485   0.670  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.805   0.995  -0.680  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.670   1.335   1.061  1.00  0.00           H  
HETATM   41  H   UNL     1       2.904   2.027  -0.405  1.00  0.00           H  
HETATM   42  H   UNL     1       5.373   1.682  -1.426  1.00  0.00           H  
HETATM   43  H   UNL     1       6.451   2.910   0.439  1.00  0.00           H  
HETATM   44  H   UNL     1       4.678   3.010   0.549  1.00  0.00           H  
HETATM   45  H   UNL     1       5.573   1.899   1.612  1.00  0.00           H  
HETATM   46  H   UNL     1       6.192  -0.246   1.686  1.00  0.00           H  
HETATM   47  H   UNL     1       8.134  -1.752   1.842  1.00  0.00           H  
HETATM   48  H   UNL     1       9.630  -2.036  -0.094  1.00  0.00           H  
HETATM   49  H   UNL     1       9.183  -0.815  -2.185  1.00  0.00           H  
HETATM   50  H   UNL     1       7.236   0.684  -2.343  1.00  0.00           H  
CONECT    1    3    2    2   12                                       
CONECT    2    1    1   10   28                                       
CONECT    3    6    5    1    7                                       
CONECT    4   14   27    8    8                                       
CONECT    5    3   29   30   31                                       
CONECT    6    3   32   33   34                                       
CONECT    7    3   35   36   37                                       
CONECT    8    4    4   15   38                                       
CONECT    9   27   15   15   16                                       
CONECT   10    2   11   11                                            
CONECT   11   12   10   10   13                                       
CONECT   12    1   11                                                 
CONECT   13   11   14   39   40                                       
CONECT   14   13    4                                                 
CONECT   15    8    9    9                                            
CONECT   16   17    9   41                                            
CONECT   17   18   18   19   16                                       
CONECT   18   17   17                                                 
CONECT   19   20   17   21   42                                       
CONECT   20   19   43   44   45                                       
CONECT   21   19   22   22   26                                       
CONECT   22   21   21   23   46                                       
CONECT   23   22   24   24   47                                       
CONECT   24   23   23   25   48                                       
CONECT   25   26   26   24   49                                       
CONECT   26   21   25   25   50                                       
CONECT   27    4    9                                                 
CONECT   28    2                                                      
CONECT   29    5                                                      
CONECT   30    5                                                      
CONECT   31    5                                                      
CONECT   32    6                                                      
CONECT   33    6                                                      
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36    7                                                      
CONECT   37    7                                                      
CONECT   38    8                                                      
CONECT   39   13                                                      
CONECT   40   13                                                      
CONECT   41   16                                                      
CONECT   42   19                                                      
CONECT   43   20                                                      
CONECT   44   20                                                      
CONECT   45   20                                                      
CONECT   46   22                                                      
CONECT   47   23                                                      
CONECT   48   24                                                      
CONECT   49   25                                                      
CONECT   50   26                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
