Mol:LBGTGccc:18000SC01:18000SC01:18000SC01 2
63 62 0 0 0 0 0 0 0 0999 V2000 -6.8401 2.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0151 2.2143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8401 1.3893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8401 0.5643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8401 -0.1518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8401 -0.9768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0151 0.5643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0151 -0.9768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3008 1.8018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5867 2.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8726 1.8018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1583 2.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4442 1.8018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7299 2.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0158 1.8018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3017 2.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3008 0.9768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4126 1.8018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1267 2.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8410 1.8018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5551 2.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2692 1.8018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9835 2.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6976 1.8018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4118 2.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3008 0.1518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5867 0.5643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8726 0.1518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1583 0.5643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4442 0.1518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7299 0.5643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0158 0.1518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3017 0.5643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4126 0.1518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3008 -0.6732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1267 0.5643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8410 0.1518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5551 0.5643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2692 0.1518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9835 0.5643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6976 0.1518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4118 0.5643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1260 0.1518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8401 0.5643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3008 -1.3892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5867 -0.9768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8726 -1.3892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1583 -0.9768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4442 -1.3892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7299 -0.9768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0158 -1.3892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3017 -0.9768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4126 -1.3892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1267 -0.9768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8410 -1.3892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5551 -0.9768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2692 -1.3892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9835 -0.9768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6976 -1.3892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4118 -0.9768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1260 -1.3892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8401 -0.9768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3008 -2.2143 0.0000 O 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 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 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 7 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 26 35 2 0 34 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 8 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 45 63 2 0 4 7 1 0
S SKP 5 ID LBGTGccc:18000SC01:18000SC01:18000SC01:02 FORMULA C57H110O6 EXACTMASS 890.830241252 AVERAGEMASS 891.4797000000001 SMILES C(CCCCCCCCCCCC)CCCCC(=O)OC(CCOC(CCCCCCCCCCCCCCC)=O)CCOC(CCCCCCCCCCCCCCCCC)=O M END
