Mol:LBGTGccc:10000SC01:18109SC01:10000SC01 2
49 48 0 0 0 0 0 0 0 0999 V2000 -6.8773 2.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0523 2.2134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8773 1.3884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8773 0.5634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8773 -0.1527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8773 -0.9777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1250 0.5488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0523 -0.9777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3218 1.6573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6076 2.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3218 0.8323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3381 -1.3884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6240 -0.9777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9098 -1.3884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1956 -0.9777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4815 -1.3884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7672 -0.9777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0531 -1.3884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3390 -0.9777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3381 -2.2134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3744 0.2108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6603 0.6215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9462 0.2108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2319 0.6215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5178 0.2108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8035 0.6215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0894 0.2108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3753 0.6215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3744 -0.6142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3753 -1.3884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8934 1.6573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1793 2.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4651 1.6573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7509 2.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0368 1.6573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3225 2.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3390 0.2108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3916 1.6573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1057 2.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0894 -0.9777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1640 0.2108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8781 0.6215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5923 0.2108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3065 0.6215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0207 0.2108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7348 0.6215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4490 0.2108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1632 0.6215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8773 0.2108 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 6 8 1 0 4 7 1 0 2 9 1 0 9 10 1 0 9 11 2 0 8 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 12 20 2 0 7 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 27 28 1 0 21 29 2 0 19 30 1 0 10 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 28 37 1 0 36 38 1 0 38 39 1 0 30 40 1 0 37 41 2 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
S SKP 5 ID LBGTGccc:10000SC01:18109SC01:10000SC01:02 FORMULA C43H80O6 EXACTMASS 692.595490292 AVERAGEMASS 693.0917 SMILES O=C(OCCC(CCOC(=O)CCCCCCCCC)OC(CCCCCCCC=CCCCCCCCC)=O)CCCCCCCCC M END
