Mol:LBG00kkk:16402BC01:16402BC01:CBZ1Sk013
57 54 0 0 0 0 0 0 0 0999 V2000 -1.6084 1.0719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9803 1.0719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1520 1.0534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4388 1.4318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4388 0.6680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8734 0.6680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0856 1.0534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8734 1.4318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3298 0.0789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1191 0.0789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3298 -1.2128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6458 -1.2128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6084 0.0789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1535 0.0789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7407 0.1400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7407 -0.1587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5814 0.1400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5814 -0.1587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5763 0.1400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5763 -0.1418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6099 0.4321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3196 0.1400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0277 0.4321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4505 0.4321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1670 0.1400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8700 0.4321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3148 0.4321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 0.1400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2623 0.4321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8665 0.4321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8815 0.1400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1191 0.3913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8815 -0.1078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2010 -1.1992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3298 1.1059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3298 0.2589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8205 1.1059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2010 -1.1992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6932 -1.1331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6932 -1.4318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5339 -1.1331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5339 -1.4318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6238 -1.1331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6238 -1.4318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5624 -0.8410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2721 -1.1331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9801 -0.8410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4029 -0.8410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1195 -1.1331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8225 -0.8410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2674 -0.8410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0450 -1.1331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3098 -0.8410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9141 -0.8410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8340 -1.1331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0716 -0.8818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8340 -1.3809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 5 6 2 0 6 7 1 0 7 8 2 0 4 8 1 0 3 4 2 0 3 5 1 0 2 3 1 0 9 10 1 1 9 13 1 1 9 11 1 0 15 16 1 0 17 18 1 0 19 20 1 0 21 22 1 0 22 23 1 0 15 23 1 0 15 24 2 0 24 25 1 0 25 26 1 0 17 26 1 0 17 27 2 0 27 28 1 0 28 29 1 0 19 29 1 0 19 30 2 0 14 30 1 0 13 14 1 0 21 31 2 0 31 32 1 0 31 33 1 0 11 12 1 0 12 34 1 0 35 36 1 0 35 37 1 0 39 40 1 0 41 42 1 0 43 44 1 0 45 46 1 0 46 47 1 0 39 47 1 0 39 48 2 0 48 49 1 0 49 50 1 0 41 50 1 0 41 51 2 0 51 52 1 0 52 53 1 0 43 53 1 0 43 54 2 0 38 54 1 0 45 55 2 0 55 56 1 0 55 57 1 0
S SKP 5 ID LBG00kkk:16402BC01:16402BC01:CBZ1Sk013:01 FORMULA C53H90O3 EXACTMASS 774.688996746 AVERAGEMASS 775.2799 SMILES C(CCC=C(C)C)(C)=CCCC(=CCCC(C)=CCOC([H])COC)C M END
