REMARK REMARK TITLE beta-Glucose REMARK CHARGE-VALUE 0 # Not really needed REMARK MULTIPLICITY-VALUE 1 # Not really needed REMARK REMARK Common molecular orientations for all hexopyranose units !!! REMARK REORIENT 1 9 17 | 17 9 1 | 5 13 19 | 19 13 5 REAMRK REMARK INTRA-MCC 0.0 | 2 | K REMARK INTRA-MCC 0.0 | 6 | K REMARK INTRA-MCC 0.0 | 10 | K REMARK INTRA-MCC 0.0 | 14 | K REMARK INTRA-MCC 0.0 | 18 | K REMARK INTRA-MCC 0.0 | 21 | K REMARK INTRA-MCC 0.0 | 22 | K REMARK REMARK gg ATOM 1 C1 BGC 1 1.643 0.056 -0.260 C1' ATOM 2 H1 BGC 1 1.924 -0.952 -0.584 H1' ATOM 3 O2 BGC 1 2.728 0.894 -0.291 O1' ATOM 4 H2 BGC 1 2.961 1.057 -1.196 HO1' ATOM 5 C3 BGC 1 1.089 0.006 1.160 C2' ATOM 6 H3 BGC 1 0.888 1.033 1.444 H2' ATOM 7 O4 BGC 1 2.021 -0.470 2.080 O2' ATOM 8 H4 BGC 1 2.245 -1.371 1.891 HO2' ATOM 9 C5 BGC 1 -0.208 -0.808 1.176 C3' ATOM 10 H5 BGC 1 0.040 -1.840 0.924 H3' ATOM 11 O6 BGC 1 -0.775 -0.883 2.446 O3' ATOM 12 H6 BGC 1 -0.929 -0.012 2.787 HO3' ATOM 13 C7 BGC 1 -1.190 -0.293 0.123 C4' ATOM 14 H7 BGC 1 -1.529 0.700 0.384 H4' ATOM 15 O8 BGC 1 -2.344 -1.081 0.050 O4' ATOM 16 H8 BGC 1 -2.117 -1.973 -0.178 HO4' ATOM 17 C9 BGC 1 -0.498 -0.196 -1.242 C5' ATOM 18 H9 BGC 1 -0.255 -1.206 -1.586 H5' ATOM 19 O10 BGC 1 0.680 0.557 -1.135 O5' ATOM 20 CT11 BGC 1 -1.370 0.445 -2.304 C6' ATOM 21 H111 BGC 1 -2.227 -0.198 -2.480 H61' ! Not equivalenced since = 0 ATOM 22 H112 BGC 1 -0.793 0.513 -3.223 H62' ! ATOM 23 O12 BGC 1 -1.770 1.712 -1.868 O6' ATOM 24 H12 BGC 1 -2.390 2.079 -2.481 HO6' CONECT 1 2 3 5 19 CONECT 2 1 CONECT 3 1 4 CONECT 4 3 CONECT 5 1 6 7 9 CONECT 6 5 CONECT 7 5 8 CONECT 8 7 CONECT 9 5 10 11 13 CONECT 10 9 CONECT 11 9 12 CONECT 12 11 CONECT 13 9 14 15 17 CONECT 14 13 CONECT 15 13 16 CONECT 16 15 CONECT 17 13 18 19 20 CONECT 18 17 CONECT 19 1 17 CONECT 20 17 21 22 23 CONECT 21 20 CONECT 22 20 CONECT 23 20 24 CONECT 24 23 TER REMARK gt ATOM 1 C1 BGC 1 1.556 0.044 -0.178 C1' ATOM 2 H1 BGC 1 1.709 -0.949 -0.617 H1' ATOM 3 O2 BGC 1 2.719 0.768 -0.191 O1' ATOM 4 H2 BGC 1 2.946 0.964 -1.087 HO1' ATOM 5 C3 BGC 1 1.069 -0.093 1.260 C2' ATOM 6 H3 BGC 1 0.998 0.917 1.651 H2' ATOM 7 O4 BGC 1 1.976 -0.759 2.080 O2' ATOM 8 H4 BGC 1 2.089 -1.652 1.798 HO2' ATOM 9 C5 BGC 1 -0.313 -0.754 1.276 C3' ATOM 10 H5 BGC 1 -0.201 -1.778 0.914 H3' ATOM 11 O6 BGC 1 -0.828 -0.880 2.563 O3' ATOM 12 H6 BGC 1 -0.725 -0.073 3.040 HO3' ATOM 13 C7 BGC 1 -1.279 -0.039 0.326 C4' ATOM 14 H7 BGC 1 -1.477 0.962 0.697 H4' ATOM 15 O8 BGC 1 -2.523 -0.673 0.268 O4' ATOM 16 H8 BGC 1 -2.429 -1.557 -0.050 HO4' ATOM 17 C9 BGC 1 -0.637 0.090 -1.060 C5' ATOM 18 H9 BGC 1 -0.499 -0.906 -1.489 H5' ATOM 19 O10 BGC 1 0.605 0.729 -0.932 O5' ATOM 20 CT11 BGC 1 -1.478 0.897 -2.026 C6' ATOM 21 H11 BGC 1 -1.446 1.941 -1.721 H61' ATOM 22 H11 BGC 1 -2.506 0.553 -1.972 H62' ATOM 23 O12 BGC 1 -0.951 0.724 -3.312 O6' ATOM 24 H12 BGC 1 -1.395 1.293 -3.918 H6O' END