Mol:LBGTGccc:18000SC01:18000SC01:18109SC01 2
66 65 0 0 0 0 0 0 0 0999 V2000 -6.4957 2.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6707 2.2134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4957 1.3884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4957 0.5634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4957 -0.1527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4957 -0.9777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7071 0.6215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9565 1.8008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2423 2.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9565 0.9758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6707 -0.9777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5282 1.8008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8140 2.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0998 1.8008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3856 2.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6715 1.8008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0427 2.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7569 1.8008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4710 2.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1853 1.8008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8994 2.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6135 1.8008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3278 2.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0419 1.8008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7562 2.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4703 1.8008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1844 2.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9565 -1.3884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2423 -0.9777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9565 -2.2134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9928 0.2108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2787 0.6215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4192 0.1744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7049 0.5851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9908 0.1744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2765 0.5851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9928 -0.6142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5282 -1.3157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8140 -0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0998 -1.3157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3856 -0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5624 0.1744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1517 0.5851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 0.1744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5801 0.5851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2943 0.1744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0085 0.5851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7226 0.1744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4368 0.5851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1510 0.1744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8652 0.5851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5793 0.1744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2935 0.5851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6715 -1.3157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0427 -0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7569 -1.3157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2935 0.7778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4710 -0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1853 -1.3157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8994 -0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6135 -1.3157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3278 -0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0419 -1.3157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7562 -0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4703 -1.3157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1844 -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 38 39 1 0 39 40 1 0 40 41 1 0 36 42 1 0 42 43 1 0 43 44 1 0 44 45 2 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 32 33 1 0 29 38 1 0 41 54 1 0 54 55 1 0 55 56 1 0 4 7 1 6 4 57 1 6 56 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 63 64 1 0 64 65 1 0 65 66 1 0
S SKP 5 ID LBGTGccc:18000SC01:18000SC01:18109SC01:02 FORMULA C59H112O6 EXACTMASS 916.845891316 AVERAGEMASS 917.51698 SMILES C(CCCCCCC(OCCC(CCOC(CCCCCCCCCCCCCCCCC)=O)(OC(CCCCCCCC=CCCCCCCCC)=O)[H])=O)CCCCCCCCCC M END
