Mol:LBGPIccp:R:R:p
52 51 0 0 0 0 0 0 0 0999 V2000 -3.0273 3.9082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2179 3.0022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0273 2.1087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1655 2.1087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0730 3.0022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1655 3.9082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2179 2.1087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0730 3.8582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1655 1.2837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0273 2.8588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1655 4.6686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0273 4.6686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0724 3.8582 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 1.0724 4.6832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0724 3.0333 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0138 3.8582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8386 3.8582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8386 4.8867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6636 4.8867 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0138 4.8867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8386 6.0317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6635 6.0317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6635 6.8566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9491 7.2691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3780 7.2691 0.0000 R 0 0 0 0 0 0 0 0 0 0 0 0 -3.1935 -4.6446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3780 -5.5506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1935 -6.4441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3255 -6.4441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0870 -5.5506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3255 -4.6446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3780 -6.4441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0870 -4.6944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3255 -7.2691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1935 -5.6939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3255 -3.8840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1935 -3.8840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9125 -4.6944 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 0.9125 -3.8696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9125 -5.5194 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.8537 -4.6944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6787 -4.6944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6787 -3.1423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5035 -3.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6787 -1.7938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5036 -1.7938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5681 -1.9049 0.0000 R 0 0 0 0 0 0 0 0 0 0 0 0 1.8537 -2.3174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1393 -1.9049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8537 -3.1423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3645 -0.0732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5395 -0.0732 0.0000 R 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 1 3 4 1 1 5 4 1 1 5 6 1 0 1 6 1 0 2 7 1 0 5 8 1 0 4 9 1 0 3 10 1 0 6 11 1 0 1 12 1 0 8 13 1 0 13 14 2 0 13 15 1 0 13 16 1 0 16 17 1 0 17 18 1 0 18 19 1 1 18 20 1 1 18 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 26 27 1 0 27 28 1 1 28 29 1 1 30 29 1 1 30 31 1 0 26 31 1 0 27 32 1 0 30 33 1 0 29 34 1 0 28 35 1 0 31 36 1 0 26 37 1 0 33 38 1 0 38 39 2 0 38 40 1 0 38 41 1 0 41 42 1 0 42 43 1 0 43 44 1 1 43 45 1 0 45 46 1 0 43 50 1 1 47 48 1 0 48 49 2 0 48 50 1 0 51 52 1 0
M CHG 2 15 -1 40 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 5 21 22 23 24 25 M SBL 1 1 21 M SMT 1 CH2OCOR M SBV 1 21 0.0000 -1.1450 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 45 46 M SBL 2 1 45 M SMT 2 CH2OH M SBV 2 45 0.0000 -1.3485 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 4 47 48 49 50 M SBL 3 1 47 M SMT 3 ^OOCR M SBV 3 47 0.8250 0.0000 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 2 51 52 M SMT 4 OR S SKP 5 ID LBGPIccp:R:R:ppppppppp:01 FORMULA C20H35O25P2R3 EXACTMASS 829.0775646899999 AVERAGEMASS 829.407722 SMILES O[R] M END
