Mol:LBGnnccg:R:R:g
48 46 0 0 0 0 0 0 0 0999 V2000 0.8760 0.0134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6716 0.0062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8295 1.2969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8635 -1.6124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9410 -1.6270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1057 -1.6270 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 4.1057 -0.8505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1248 -1.6270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1057 -2.5005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3865 -1.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7596 -1.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2638 -1.6270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0207 -1.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0207 -2.9663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0207 -4.2087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9719 -2.9663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9719 -4.2087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7289 -2.9663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7289 -4.2087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4860 -2.9663 0.0000 R2 0 0 0 0 0 0 0 0 0 0 0 0 13.7289 -2.2093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7289 -3.4516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4860 -4.2087 0.0000 R1 0 0 0 0 0 0 0 0 0 0 0 0 11.1182 -2.9663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0045 1.2969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1795 1.2969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4966 0.0062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1493 1.2969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8295 0.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7034 2.9251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9078 2.9179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7499 4.2087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7160 1.2994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6385 1.2848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4737 1.2848 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -6.4737 2.0613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4061 1.2848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4737 0.4113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.5749 4.2087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.3999 4.2087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0828 2.9179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4860 4.2087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7499 2.9469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3904 -1.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3904 -0.1711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2154 -0.1711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2154 0.6539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0404 -0.1711 0.0000 R3 0 0 0 0 0 0 0 0 0 0 0 0 4 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 6 9 1 0 8 10 1 0 12 13 1 0 15 17 1 0 16 18 1 0 17 19 1 0 18 20 1 0 18 21 2 0 19 22 2 0 19 23 1 0 13 14 1 6 14 15 1 6 14 24 1 1 14 16 1 1 3 25 1 0 25 26 1 0 2 27 1 0 3 29 1 6 4 29 1 6 29 2 1 1 29 1 1 1 33 34 1 0 34 35 1 0 35 36 2 0 35 37 1 0 35 38 1 0 32 39 1 0 39 40 1 0 31 41 1 0 32 43 1 6 33 43 1 6 43 31 1 1 43 30 1 1 28 37 1 0 40 42 1 0 26 28 1 0 11 12 1 0 10 11 1 0 44 45 1 0 45 46 1 0 46 47 2 0 46 48 1 0
A 10 6Glca1 A 11 2Glca1 A 26 6Gala1 A 27 1Gala A 28 6Gala1 A 40 6Gala1 A 41 1Gala A 42 Gala1 A 44 6 M STY 1 1 GEN M SLB 1 1 1 M SAL 1 14 9 2 28 3 29 8 1 25 7 6 5 4 26 27 M SBL 1 2 38 6 M SDI 1 4 -4.6588 -3.0683 -4.6588 2.2215 M SDI 1 4 5.6294 2.2215 5.6294 -3.0683 S SKP 5 ID LBGnnccg:R:R:ggggggggg:01 FORMULA EXACTMASS AVERAGEMASS SMILES M END
