Mol:LBGTGccc:16000SC01:16000SC01:18000SC01 2
61 60 0 0 0 0 0 0 0 0999 V2000 -6.8401 2.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0151 2.2134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8401 1.3884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8401 0.5634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8401 -0.1527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8401 -0.9777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0514 0.6215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2645 0.2599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5503 0.6725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8362 0.2599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1220 0.6725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4078 0.2599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6936 0.6725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9795 0.2599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2653 0.6725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2645 -0.5651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3008 1.8008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5867 2.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8726 1.8008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1583 2.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4442 1.8008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7299 2.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0158 1.8008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3017 2.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3008 0.9758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4126 1.8008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1267 2.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4489 0.2599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1630 0.6725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8427 1.8008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5569 2.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0151 -0.9777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2710 1.8008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9853 2.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6994 1.8008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4135 2.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3008 -1.3884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3008 -2.2134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8773 0.2599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5914 0.6725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3055 0.2599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0198 0.6725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7339 0.2599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4482 0.6725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5867 -0.9777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8726 -1.3884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1583 -0.9777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4442 -1.3884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7299 -0.9777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0158 -1.3884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3017 -0.9777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4126 -1.3884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1267 -0.9777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8427 -1.3884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5569 -0.9777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2710 -1.3884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9853 -0.9777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6994 -1.3884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4135 -0.9777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1260 -1.3884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8401 -0.9777 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 8 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 8 16 2 0 2 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 17 25 2 0 24 26 1 0 26 27 1 0 15 28 1 0 28 29 1 0 27 30 1 0 30 31 1 0 6 32 1 0 7 8 1 0 31 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 32 37 1 0 37 38 2 0 29 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 37 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 4 7 1 0
S SKP 5 ID LBGTGccc:16000SC01:16000SC01:18000SC01:02 FORMULA C55H106O6 EXACTMASS 862.7989411240001 AVERAGEMASS 863.4265399999999 SMILES C(CCCCCCCCC)CCCCCC(OCCC(CCOC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)=O M END
