Mol:LBG00kkk:CBZ1Sk013:18109SC01:18109SC01
55 50 0 0 0 0 0 0 0 0999 V2000 -1.8146 1.3545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2138 1.3682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6434 1.0744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3649 1.3682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0696 1.0744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5041 1.0744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9150 1.3682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1644 1.1356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4055 1.3682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5326 0.3445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3219 0.3445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5326 -0.9471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8010 -0.9471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8146 0.3445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3699 -0.9471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2971 0.3445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5601 0.0475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2817 0.3445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0136 0.0475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5873 0.0475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8317 0.3445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0813 0.0883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3224 0.3445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5326 1.3682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5326 0.5245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0234 1.3682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3219 0.3445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5753 0.3445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7330 0.3445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2867 0.0594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8418 0.0594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1541 0.3445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4190 0.0594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0232 0.0594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0423 0.3445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8521 0.3445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6027 0.0594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2612 -0.9471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1562 -0.9930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1307 -0.6145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1307 -1.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5653 -1.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7775 -0.9930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5653 -0.6145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2388 1.3682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4921 1.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6497 1.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2036 1.0864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7585 1.0864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0710 1.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3357 1.0864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9400 1.0864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9659 1.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7690 1.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5194 1.0864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 4 1 0 4 5 1 0 2 5 1 0 2 6 1 0 3 7 1 0 7 8 1 0 8 9 1 0 1 9 1 0 10 11 1 1 12 13 1 0 10 14 1 1 10 12 1 0 13 15 1 0 17 18 1 0 18 19 1 0 16 19 1 0 16 20 1 0 17 21 1 0 21 22 1 0 22 23 1 0 14 23 1 0 24 25 1 0 24 26 1 0 28 30 1 0 28 31 1 0 31 32 1 0 32 33 1 0 29 33 1 0 29 34 1 0 27 34 1 0 35 36 2 0 30 35 1 0 36 37 1 0 41 42 2 0 42 43 1 0 43 44 2 0 40 44 1 0 39 40 2 0 39 41 1 0 38 39 1 0 46 48 1 0 46 49 1 0 49 50 1 0 50 51 1 0 47 51 1 0 47 52 1 0 45 52 1 0 53 54 2 0 48 53 1 0 54 55 1 0
S SKP 5 ID LBG00kkk:CBZ1Sk013:18109SC01:18109SC01:01 FORMULA C51H102O3 EXACTMASS 762.78289713 AVERAGEMASS 763.35378 SMILES C(C(OCCCCCCCC)[H])OC M END
