0 0 2 B-(AXIAL!)-L-FUCO- terminal residue, hf/6-31g* esp fb.dat FB 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 1.400 113.3 180.0 0.2831 5 H1 HC E 4 3 2 1.102 111.6 56.2 0.0857 6 C2 CT M 4 3 2 1.524 107.4 177.7 0.2525 7 H2 HC E 6 4 3 1.105 108.8 -171.5 0.0550 8 O2 OH S 6 4 3 1.415 110.0 -52.1 -0.7347 9 H2O HO E 8 6 4 0.957 110.0 -125.6 0.4453 10 C3 CT M 6 4 3 1.529 110.3 67.6 0.4485 11 H3 HC E 10 6 4 1.101 109.0 -65.8 -0.0309 12 O3 OH S 10 6 4 1.421 109.9 173.3 -0.7372 13 H3O HO E 12 10 6 0.976 108.5 97.4 0.4297 14 C4 CT M 10 6 4 1.519 110.6 53.3 -0.0360 15 H4 HC E 14 10 6 1.100 109.6 -173.6 0.0368 16 O4 OH S 14 10 6 1.430 109.6 63.8 -0.6564 17 H4O HO E 16 14 10 0.958 109.2 139.9 0.4558 18 C5 CT M 14 10 6 1.528 110.1 -52.8 0.5479 19 H5 HC E 18 14 10 1.105 108.8 -65.6 -0.0634 20 OR OS E 18 14 10 1.435 110.8 54.4 -0.5194 21 C6M CT M 18 14 10 1.517 113.3 174.2 -0.3326 22 H1M HC E 21 18 14 1.095 109.5 53.8 0.0827 23 H2M HC E 21 18 14 1.095 109.5 -63.9 0.1049 24 H3M HC E 21 18 14 1.095 109.5 176.6 0.0627 LOOP OR C1 DONE STOP