Mol:LBG00cck:R:R:R 2
37 35 0 0 0 0 0 0 0 0999 V2000 3.4206 -1.9230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4206 -3.3880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5957 -3.3880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5957 -4.2129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3101 -4.6254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8812 -4.6254 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2937 -5.3398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5793 -5.7523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9918 -6.4667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2774 -6.8791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7886 -6.6802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1907 -4.0152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9772 -4.8120 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.4206 -0.5453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5957 -0.5453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5957 0.2797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7707 0.2797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7707 1.1046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9458 1.1046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9458 1.9295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1209 1.9295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1209 2.7545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7041 2.7545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7041 3.5794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5290 3.5794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5290 4.4043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3539 4.4043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3539 5.2293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1789 5.2293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1789 6.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0038 6.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0038 6.8791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8288 6.8791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2454 -1.9230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2454 -2.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6621 -3.3313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8288 -3.3313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 4 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 9 11 1 0 12 13 1 0 1 14 1 0 14 15 1 0 15 16 1 0 16 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 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 1 34 1 0 34 35 1 0 35 36 2 0 35 37 1 0
M STY 1 1 SUP M SLB 1 1 1 M SAL 1 12 2 3 4 5 6 7 8 9 10 11 12 13 M SBL 1 1 1 M SMT 1 CH2OCONH(CH2)2N(CH3)3Br M SBV 1 1 0.0000 1.4649 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 15 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 M SAL 2 5 29 30 31 32 33 M SBL 2 1 12 M SMT 2 CH2O(CH2)17CH3 M SBV 2 12 0.0000 -1.3778 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 4 34 35 36 37 M SBL 3 1 32 M SMT 3 OCOCH3 M SBV 3 32 -0.8248 -0.0000 S SKP 5 ID LBG00cck:R:R:R:02 FORMULA C29H59BrN2O5 EXACTMASS 594.3607356079999 AVERAGEMASS 595.69324 SMILES O(C(=O)NCCN(C)C)CC(COCCCCCCCCCCCCCCCCCC)OC(C)=O M END
