Mol:LBGTGccc:16000SC01:18000SC01:16000SC01 2
61 60 0 0 0 0 0 0 0 0999 V2000 -6.9319 2.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1069 2.2134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9319 1.3884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9319 0.5634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9319 -0.1527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9319 -0.9777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1432 0.6215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3563 0.2599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6421 0.6725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8917 -1.5210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1774 -1.1084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4633 -1.5210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7490 -1.1084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0349 -1.5210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3208 -1.1084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3563 -0.5651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3926 1.8008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6785 2.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9644 1.8008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2501 2.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5360 1.8008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8217 2.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1076 1.8008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3935 2.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3926 0.9758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3208 1.8008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0349 2.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3935 -1.5210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1076 -1.1084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7509 1.8008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4651 2.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1069 -0.9777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1793 1.8008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8935 2.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6076 1.8008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3218 2.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3926 -1.3884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3926 -2.2134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8219 -1.5210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5360 -1.1084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2501 -1.5210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9644 -1.1084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6785 -1.5210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3927 -1.1084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6785 -0.9777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8917 0.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1774 0.5488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4633 0.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7490 0.5488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0349 0.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3208 0.5488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3935 0.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2185 0.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9326 0.5488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6469 0.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3610 0.5488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0752 0.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7894 0.5488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5035 0.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2177 0.5488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9319 0.1381 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 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 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 4 7 1 0 9 46 1 0 10 45 1 0 52 53 2 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
S SKP 5 ID LBGTGccc:16000SC01:18000SC01:16000SC01:02 FORMULA C55H104O6 EXACTMASS 860.78329106 AVERAGEMASS 861.41066 SMILES C(CCCCCCCCC)CCCCCC(OCCC(OC(=O)CCCCCCCC=CCCCCCCCC)CCOC(CCCCCCCCCCCCCCC)=O)=O M END
