0 0 2 2,3-[ALPHA-D-MANNO-] branched residue, hf/6-31g* esp 23ma.dat 23M 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 C3 CT 3 6 4 3 1.529 110.3 -67.6 0.0935 9 H3 HC E 8 6 4 1.101 109.0 65.8 0.0537 10 O3 OG E 8 6 4 1.421 109.9 -173.3 -0.4696 11 C4 CT 3 8 6 4 1.519 110.6 -53.3 0.7630 12 H4 HC E 11 8 6 1.100 109.6 -68.1 -0.0477 13 O4 OH S 11 8 6 1.430 109.6 171.4 -0.8245 14 H4O HO E 13 11 9 0.958 109.2 115.2 0.4604 15 C5 CT 3 11 8 6 1.528 110.1 52.8 0.0420 16 H5 HC E 15 11 8 1.105 108.8 65.6 0.0463 17 OR OS E 15 11 8 1.435 110.8 -54.4 -0.4822 18 C6 CT 3 15 11 8 1.517 113.3 -174.2 0.2410 19 H61 HC E 18 15 11 1.092 108.3 -57.1 0.0209 20 H62 HC E 18 15 11 1.093 108.8 54.9 0.0179 21 O6 OH S 18 15 11 1.413 112.7 179.3 -0.7085 22 H6O HO E 21 18 15 0.955 108.1 96.0 0.4436 23 O2 OG M 6 4 3 1.415 106.3 171.5 -0.4371 LOOP OR C1 DONE STOP