Mol:LBGTGccc:18109SC01:18109SC01:18000SC01 2
66 64 0 0 0 0 0 0 0 0999 V2000 -6.9500 2.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1250 2.2134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9500 1.3884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9500 0.5634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9500 -0.1527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9500 -0.9777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1614 0.6215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4108 1.8008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6967 2.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4108 0.9758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1250 -0.9777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9825 1.8008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2683 2.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5541 1.8008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8399 2.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1258 1.8008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4116 2.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3026 1.8008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4471 0.2108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7330 0.6215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8735 0.1744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1592 0.5851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4451 0.1744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7309 0.5851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4471 -0.6142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0167 0.1744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3026 0.5851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4116 0.1744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1276 1.8008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4108 -1.3884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6967 -0.9777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9825 -1.3884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2683 -0.9777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5541 -1.3884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8399 -0.9777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1258 -1.3884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4116 -0.9777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3026 -1.3884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0167 -0.9777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7310 -1.3884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4451 -0.9777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1592 -1.3884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8735 -0.9777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5876 -1.3884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3019 -0.9777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0160 -1.3884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7301 -0.9777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4108 -2.2134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2366 0.1744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9508 0.5851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6650 0.1744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3791 0.5851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0934 0.1744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8075 0.5851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5217 0.1744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2359 0.5851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9500 0.1744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1603 1.8008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8745 2.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5886 1.8008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3029 2.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0170 1.8008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7311 2.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4454 1.8008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1595 2.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8738 1.8008 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 7 19 1 0 19 20 1 0 21 22 1 0 22 23 1 0 23 24 1 0 19 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 20 21 1 0 4 7 1 0 18 29 2 0 11 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 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 44 45 1 0 45 46 1 0 46 47 1 0 30 48 2 0 28 49 2 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 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:18109SC01:18109SC01:18000SC01:02 FORMULA C60H114O6 EXACTMASS 930.8615413800001 AVERAGEMASS 931.5435600000001 SMILES C(CCCCCCCCC(=O)OCCC(CCOC(=O)CCCCCCCC=C)OC(CCCCCCCC=CCCCCCCCC)=O)CCCCCCCC M END
