0 0 0 Christian A. Söldner, Anselm H. C. Horn, Heinrich Sticht (2017): Prep residue of alpha-D-Glucopyranosyl(1,6) moiety for Glycam force field CGA.res CGA INT 0 CHANGE NOMIT DU BEG 0.00000 1 DUMM DU M 0.000000 0.000000 0.000000 0.0 2 DUMM DU M 1.000000 0.000000 0.000000 0.0 3 DUMM DU M 1.000000 1.000000 0.000000 0.0 4 O1 Os M 13.809415 9.130677 -15.940983 -0.388000 5 C1 Cg 3 12.976894 8.532052 -16.923305 0.509000 6 H1 H2 E 12.067847 8.171275 -16.442084 0.000000 7 C2 Cg 3 13.692336 7.354051 -17.645517 0.246000 8 H2 H1 E 12.954765 6.858069 -18.278188 0.000000 9 C3 Cg 3 14.842305 7.857919 -18.542477 0.286000 10 H3 H1 E 15.651440 8.233915 -17.912880 0.000000 11 C4 Cg 3 14.379470 8.970347 -19.512784 0.254000 12 H4 H1 E 13.672481 8.553611 -20.233174 0.000000 13 C5 Cg B 13.708227 10.132724 -18.751757 0.283000 14 H5 H1 E 14.461658 10.609014 -18.120922 0.000000 15 C6 Cg 3 13.119483 11.201152 -19.701471 0.276000 16 H61 H1 E 12.215073 10.819729 -20.177747 0.000000 17 H62 H1 E 13.832349 11.453109 -20.486609 0.000000 18 O6 Os E 12.803015 12.411115 -18.979687 -0.458000 19 O4 Oh S 15.533024 9.479581 -20.230694 -0.710000 20 H4O Ho E 16.003822 8.716290 -20.595054 0.436000 21 O3 Oh S 15.341994 6.740453 -19.323427 -0.699000 22 H3O Ho E 15.403512 5.978612 -18.731056 0.427000 23 O2 Oh S 14.196279 6.364870 -16.689595 -0.713000 24 H2O Ho E 14.568434 6.823888 -15.924159 0.437000 25 O5 Os E 12.624611 9.593017 -17.866039 -0.574000 LOOP C5 O5 DONE STOP