0 0 2 2,6-[ALPHA-D-MANNO-] branched residue, hf/6-31g* esp 26ma.dat 26A INT 0 CORRECT OMIT DU BEG 0.0 1 DUMM DU M 0 -1 -2 0.000 0.0 0.0 0.0 2 DUMM DU M 1 0 -1 1.522 0.0 0.0 0.0 3 DUMM DU M 2 1 0 1.422 109.5 0.0 0.0 4 C1 AC M 3 2 1 1.400 113.9 180.0 0.2726 5 H1 HC E 4 3 2 1.102 110.7 -56.2 0.1264 6 C2 CT M 4 3 2 1.524 107.4 -177.7 0.1749 7 H2 HC E 6 4 3 1.105 108.8 52.1 0.0334 8 O2 OG E 6 4 3 1.415 106.3 171.5 -0.4371 9 C3 CT M 6 4 3 1.529 110.3 -67.6 0.0935 10 H3 HC E 9 6 4 1.101 109.0 65.8 0.0537 11 O3 OH S 9 6 4 1.421 109.9 -173.3 -0.7495 12 H3O HO E 11 9 6 0.976 108.5 -70.1 0.4599 13 C4 CT M 9 6 4 1.519 110.6 -53.3 0.7630 14 H4 HC E 13 9 6 1.100 109.6 -68.1 -0.0477 15 O4 OH S 13 9 6 1.430 109.6 171.4 -0.8245 16 H4O HO E 15 13 9 0.958 109.2 115.2 0.4604 17 C5 CT M 13 9 6 1.528 110.1 52.8 0.0420 18 H5 HC E 17 13 9 1.105 108.8 65.6 0.0463 19 OR OS E 17 13 9 1.435 110.8 -54.4 -0.4822 20 C6 CT M 17 13 9 1.517 113.3 -174.2 0.2410 21 H61 HC E 20 17 13 1.092 108.3 -57.1 0.0209 22 H62 HC E 20 17 13 1.093 108.8 179.3 0.0179 23 O6 OG M 20 17 13 1.413 112.7 54.9 -0.4449 LOOP OR C1 DONE STOP