Mol:LBGTGccc:18000SC01:16000SC01:YS4CA0015 2
49 48 0 0 0 0 0 0 0 0999 V2000 -6.8401 2.2689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0151 2.2689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8401 1.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8401 0.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8401 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8401 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0151 0.6189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0151 -1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3008 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5867 2.2689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8726 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1583 2.2689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4442 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7299 2.2689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0158 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3017 2.2689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3008 1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3008 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5867 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8726 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1583 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3008 -2.2689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4126 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3008 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5867 0.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8726 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1583 0.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4442 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7299 0.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0158 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3017 0.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3008 -0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1267 2.2689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8410 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5551 2.2689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2692 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9835 2.2689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6976 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4118 2.2689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1260 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8401 2.2689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4126 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1267 0.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8410 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5551 0.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2692 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9835 0.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6976 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4118 0.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 4 7 1 0 6 8 1 0 2 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 9 17 2 0 8 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 18 22 2 0 16 23 1 0 7 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 24 32 2 0 23 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 31 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0
S SKP 5 ID LBGTGccc:18000SC01:16000SC01:YS4CA0015:02 FORMULA C43H82O6 EXACTMASS 694.6111403560001 AVERAGEMASS 695.10758 SMILES C(CCCCCCCCCC)CCCCCCC(=O)OCCC(CCOC(=O)CCC)OC(CCCCCCCCCCCCCCC)=O M END
