COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -4.775   2.907  -0.470  1.00  0.00           O  
HETATM    2  C   UNL     1      -3.693   2.115  -0.533  1.00  0.00           C  
HETATM    3  O   UNL     1      -2.984   2.138  -1.510  1.00  0.00           O  
HETATM    4  C   UNL     1      -3.363   1.198   0.617  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.512   0.210   0.804  1.00  0.00           C  
HETATM    6  S   UNL     1      -3.737  -1.419   0.592  1.00  0.00           S  
HETATM    7  C   UNL     1      -2.099  -0.816   0.296  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.943  -1.537   0.043  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.992  -2.934   0.000  1.00  0.00           N1+
HETATM   10  C   UNL     1      -0.709  -3.392  -1.367  1.00  0.00           C  
HETATM   11  C   UNL     1       0.012  -3.487   0.919  1.00  0.00           C  
HETATM   12  C   UNL     1       0.263  -0.881  -0.168  1.00  0.00           C  
HETATM   13  C   UNL     1       1.526  -1.656  -0.442  1.00  0.00           C  
HETATM   14  C   UNL     1       2.633  -0.700  -0.805  1.00  0.00           C  
HETATM   15  C   UNL     1       2.989  -0.527  -2.107  1.00  0.00           C  
HETATM   16  C   UNL     1       4.010   0.352  -2.461  1.00  0.00           C  
HETATM   17  C   UNL     1       4.682   1.064  -1.515  1.00  0.00           C  
HETATM   18  C   UNL     1       4.344   0.911  -0.160  1.00  0.00           C  
HETATM   19  C   UNL     1       5.015   1.628   0.845  1.00  0.00           C  
HETATM   20  C   UNL     1       4.660   1.455   2.148  1.00  0.00           C  
HETATM   21  C   UNL     1       3.639   0.576   2.502  1.00  0.00           C  
HETATM   22  C   UNL     1       2.967  -0.135   1.556  1.00  0.00           C  
HETATM   23  C   UNL     1       3.301   0.022   0.200  1.00  0.00           C  
HETATM   24  C   UNL     1       0.277   0.498  -0.119  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.903   1.190   0.137  1.00  0.00           C  
HETATM   26  O   UNL     1      -0.879   2.410   0.178  1.00  0.00           O  
HETATM   27  N   UNL     1      -2.087   0.539   0.344  1.00  0.00           N  
HETATM   28  H   UNL     1      -4.946   3.478  -1.232  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.261   1.795   1.524  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.936   0.304   1.804  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.279   0.369   0.047  1.00  0.00           H  
HETATM   32  H   UNL     1       0.369  -3.465  -1.510  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.163  -4.370  -1.524  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.123  -2.680  -2.081  1.00  0.00           H  
HETATM   35  H   UNL     1       0.101  -2.840   1.792  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.295  -4.484   1.235  1.00  0.00           H  
HETATM   37  H   UNL     1       0.975  -3.547   0.412  1.00  0.00           H  
HETATM   38  H   UNL     1       1.808  -2.218   0.448  1.00  0.00           H  
HETATM   39  H   UNL     1       1.357  -2.346  -1.269  1.00  0.00           H  
HETATM   40  H   UNL     1       2.472  -1.080  -2.877  1.00  0.00           H  
HETATM   41  H   UNL     1       4.273   0.471  -3.502  1.00  0.00           H  
HETATM   42  H   UNL     1       5.472   1.741  -1.805  1.00  0.00           H  
HETATM   43  H   UNL     1       5.809   2.313   0.585  1.00  0.00           H  
HETATM   44  H   UNL     1       5.178   2.007   2.918  1.00  0.00           H  
HETATM   45  H   UNL     1       3.378   0.456   3.543  1.00  0.00           H  
HETATM   46  H   UNL     1       2.178  -0.814   1.845  1.00  0.00           H  
HETATM   47  H   UNL     1       1.199   1.038  -0.278  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.910  -3.247   0.277  1.00  0.00           H  
CONECT    1    2   28                                                 
CONECT    2    3    3    1    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    5   27   29                                       
CONECT    5    4    6   30   31                                       
CONECT    6    5    7                                                 
CONECT    7   27    6    8    8                                       
CONECT    8    7    7   12    9                                       
CONECT    9    8   11   10   48                                       
CONECT   10    9   32   33   34                                       
CONECT   11    9   35   36   37                                       
CONECT   12   24   24    8   13                                       
CONECT   13   12   14   38   39                                       
CONECT   14   13   15   15   23                                       
CONECT   15   14   14   16   40                                       
CONECT   16   15   17   17   41                                       
CONECT   17   16   16   18   42                                       
CONECT   18   23   17   19   19                                       
CONECT   19   18   18   20   43                                       
CONECT   20   21   21   19   44                                       
CONECT   21   22   20   20   45                                       
CONECT   22   23   23   21   46                                       
CONECT   23   14   22   22   18                                       
CONECT   24   25   12   12   47                                       
CONECT   25   26   26   27   24                                       
CONECT   26   25   25                                                 
CONECT   27    4   25    7                                            
CONECT   28    1                                                      
CONECT   29    4                                                      
CONECT   30    5                                                      
CONECT   31    5                                                      
CONECT   32   10                                                      
CONECT   33   10                                                      
CONECT   34   10                                                      
CONECT   35   11                                                      
CONECT   36   11                                                      
CONECT   37   11                                                      
CONECT   38   13                                                      
CONECT   39   13                                                      
CONECT   40   15                                                      
CONECT   41   16                                                      
CONECT   42   17                                                      
CONECT   43   19                                                      
CONECT   44   20                                                      
CONECT   45   21                                                      
CONECT   46   22                                                      
CONECT   47   24                                                      
CONECT   48    9                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
