Mol:LBG00kkk:R:18000SC01:CBZ1Sk013
50 53 0 0 0 0 0 0 0 0999 V2000 4.7575 3.2701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5825 3.2701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5825 4.0951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4075 3.2701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5825 2.4451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2975 4.5076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2975 5.3326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5825 5.7451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8675 5.3326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8675 4.5076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8200 2.5551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6450 2.5551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0575 3.2701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6450 3.9837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8200 3.9837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8675 2.0326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8675 1.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5825 0.7923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2961 1.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2961 2.0326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9325 3.2701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9050 0.6851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0800 0.6851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9050 -0.1399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7300 -0.1399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5550 -0.1399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3800 -0.1399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7925 -0.8549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6175 -0.8549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0300 -0.1399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6175 0.5737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7925 0.5737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0575 -5.7451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6450 -5.0306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8200 -5.0306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4075 -4.3162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5825 -4.3162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1700 -3.6017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3450 -3.6017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9325 -2.8872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1075 -2.8872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6950 -2.1728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8700 -2.1728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4575 -1.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6325 -1.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2200 -0.7438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6050 -0.7438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0175 -0.0294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8425 -0.0294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2550 0.6851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 2 5 1 0 3 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 3 10 1 0 4 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 4 15 1 0 5 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 5 20 1 0 1 21 1 0 22 23 1 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 2 0 30 31 1 0 31 32 2 0 27 32 1 0 21 22 1 0 23 50 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 47 48 1 0 48 49 1 0 49 50 1 0
M STY 1 1 SUP M SLB 1 1 1 M SAL 1 15 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 M SAL 1 3 48 49 50 M SBL 1 1 36 M SMT 1 CH3(CH2)1^7 M SBV 1 36 0.8250 0.0000 S SKP 5 ID LBG00kkk:R:18000SC01:CBZ1Sk013:01 FORMULA C47H64O3 EXACTMASS 676.485545914 AVERAGEMASS 677.0092599999999 SMILES C(CCCCCCCCCCCCC)CCCCOC(COCc(c4)cccc4)COC(c(c3)cccc3)(c(c2)cccc2)c(c1)cccc1 M END
