Mol:LBG00kkk:CBZ1Sk013:16402BC01:16402BC01
57 54 0 0 0 0 0 0 0 0999 V2000 -1.6253 1.1585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1365 1.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7577 1.2281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7577 0.9293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5984 1.2281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5984 0.9293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5594 1.2281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5594 0.9293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6268 1.5201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3365 1.2281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0447 1.5201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4675 1.5201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1840 1.2281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8869 1.5201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3318 1.5201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0195 1.2281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2453 1.5201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8495 1.5201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8984 1.2281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1361 1.4794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8984 0.9802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3468 0.1654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1361 0.1654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3468 -1.1262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6151 -1.1262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6253 0.1654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2077 -1.1262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1705 0.1654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7237 0.2266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7237 -0.0722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5644 0.2266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5644 -0.0722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5933 0.2266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5933 -0.0722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5929 0.5186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3026 0.2266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0107 0.5186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4336 0.5186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 0.2266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8530 0.5186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2979 0.5186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0145 0.2266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2793 0.5186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8835 0.5186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8645 0.2266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1021 0.4779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8645 -0.0213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3468 1.1924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3468 0.3454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8375 1.1924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0991 -1.1262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0162 -1.1347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3030 -0.7562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3030 -1.5201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7376 -1.5201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9498 -1.1347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7376 -0.7562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 4 1 0 5 6 1 0 7 8 1 0 9 10 1 0 10 11 1 0 3 11 1 0 3 12 2 0 12 13 1 0 13 14 1 0 5 14 1 0 5 15 2 0 15 16 1 0 16 17 1 0 7 17 1 0 7 18 2 0 2 18 1 0 9 19 2 0 19 20 1 0 19 21 1 0 1 2 1 0 24 25 1 0 22 24 1 0 25 27 1 0 29 30 1 0 31 32 1 0 33 34 1 0 35 36 1 0 36 37 1 0 29 37 1 0 29 38 2 0 38 39 1 0 39 40 1 0 31 40 1 0 31 41 2 0 41 42 1 0 42 43 1 0 33 43 1 0 33 44 2 0 28 44 1 0 26 28 1 0 35 45 2 0 45 46 1 0 45 47 1 0 22 23 1 0 22 26 1 0 48 49 1 0 48 50 1 0 54 55 2 0 55 56 1 0 56 57 2 0 53 57 1 0 52 53 2 0 52 54 1 0 51 52 1 0
S SKP 5 ID LBG00kkk:CBZ1Sk013:16402BC01:16402BC01:01 FORMULA C53H90O3 EXACTMASS 774.688996746 AVERAGEMASS 775.2799 SMILES C(C(=CCCC(C)=CCO)C)CC=C(CCC=C(C)C)C M END
