Mol:LBGTGccc:18000SC01:18000SC01:14000SC01 2
62 61 0 0 0 0 0 0 0 0999 V2000 -6.4821 2.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6571 2.2134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4821 1.3884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4821 0.5634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4821 -0.1527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4821 -0.9777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6934 0.6215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9428 1.8008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2287 2.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9428 0.9758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6571 -0.9777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5146 1.8008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8003 2.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0862 1.8008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3719 2.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6578 1.8008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0563 2.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7706 1.8008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4847 2.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1989 1.8008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9131 2.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6272 1.8008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3414 2.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0556 1.8008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7698 2.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4839 1.8008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1981 2.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9428 -1.3884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2287 -0.9777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9428 -2.2134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9792 0.2108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2651 0.6215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4056 0.1744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6913 0.5851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9772 0.1744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2629 0.5851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9792 -0.6142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5146 -1.3157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5488 0.1744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1653 0.5851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8796 0.1744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5937 0.5851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3080 0.1744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0221 0.5851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7362 0.1744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4505 0.5851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1646 0.1744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8789 0.5851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5930 0.1744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3071 0.5851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3071 0.5634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8003 -0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0862 -1.3157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3719 -0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6578 -1.3157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0563 -0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7706 -1.3157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4847 -0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1989 -1.3157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9131 -0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6272 -1.3157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3414 -0.9050 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 2 8 1 0 8 9 1 0 8 10 2 0 6 11 1 0 9 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 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 25 26 1 0 26 27 1 0 11 28 1 0 28 29 1 0 28 30 2 0 7 31 1 0 31 32 1 0 33 34 1 0 34 35 1 0 35 36 1 0 31 37 2 0 36 39 1 0 39 40 1 0 40 41 1 0 32 33 1 0 29 38 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 49 50 1 0 4 7 1 6 4 51 1 6 38 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
S SKP 5 ID LBGTGccc:18000SC01:18000SC01:14000SC01:02 FORMULA C55H106O6 EXACTMASS 862.7989411240001 AVERAGEMASS 863.4265399999999 SMILES C(CCCCCCCC)CCCCCCCCC(=O)OCCC(CCOC(CCCCCCCCCCCCC)=O)(OC(=O)CCCCCCCCCCCCCCCCC)[H] M END
