Mol:LBGTGccc:16000SC01:12000SC01:12000SC01 2
51 50 0 0 0 0 0 0 0 0999 V2000 -6.1260 2.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3010 2.2143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1260 1.3893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1260 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 -6.1260 -0.9768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3010 0.5643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3010 -0.9768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5867 1.8018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8726 2.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1585 1.8018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4442 2.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7301 1.8018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0158 2.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3017 1.8018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4124 2.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5867 0.9768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1267 1.8018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8408 2.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5551 1.8018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2692 2.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9833 1.8018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6976 2.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4117 1.8018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1260 2.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5867 0.1518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8726 0.5643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1585 0.1518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4442 0.5643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7301 0.1518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0158 0.5643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3017 0.1518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4124 0.5643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1267 0.1518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8408 0.5643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5551 0.1518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2692 0.5643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5867 -1.3892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8726 -0.9768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1585 -1.3892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4442 -0.9768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7301 -1.3892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0158 -0.9768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3017 -1.3892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4124 -0.9768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1267 -1.3892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8408 -0.9768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5551 -1.3892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2692 -0.9768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5867 -0.6732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5867 -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 4 7 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 34 35 1 0 35 36 1 0 36 37 1 0 8 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 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 26 50 2 0 38 51 2 0
S SKP 5 ID LBGTGccc:16000SC01:12000SC01:12000SC01:02 FORMULA C45H86O6 EXACTMASS 722.642440484 AVERAGEMASS 723.16074 SMILES C(CC)CCCCCCCCC(OC(CCOC(=O)CCCCCCCCCCC)CCOC(=O)CCCCCCCCCCCCCCC)=O M END
