Mol:LBG02cgk:R:g:R

17 16  0  0  0  0  0  0  0  0999 V2000 
  -3.0549   -0.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.5848   -0.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.8120    1.0142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.9190    1.0142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.9190   -0.4222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.9190   -1.8102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.8702   -0.4222    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
   4.6757    1.0531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.6757    1.8102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   5.4328    1.0531    0.0000 R1  0  0  0  0  0  0  0  0  0  0  0  0 
   2.0164   -0.4222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.8799   -0.4417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.7049   -0.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.7049    0.3833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.4328   -0.4417    0.0000 R3  0  0  0  0  0  0  0  0  0  0  0  0 
   4.5836   -1.8102    0.0000 R2  0  0  0  0  0  0  0  0  0  0  0  0 
   3.7440   -1.8102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
 3  4  1  0 
 8  9  2  0 
 8 10  1  0 
 4  5  1  6 
 5  6  1  6 
 5 11  1  1 
 5  7  1  1 
 3  8  1  0 
 1 12  1  0 
12 13  1  0 
13 14  2  0 
13 15  1  0 
 6 17  1  0 
16 17  1  0 
 2 11  1  0 
 1  2  1  0 

A 1 6Glcb1 A 2 6Glcb1 S SKP 5 ID LBG02cgk:R:ggggggggg:R:01 FORMULA EXACTMASS AVERAGEMASS SMILES M END