REMARK REMARK TITLE alpha-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 REMARK 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 AGC 1 1.702 0.067 -0.317 C1' ATOM 2 H1 AGC 1 2.592 0.682 -0.403 H1' ATOM 3 O2 AGC 1 1.978 -1.238 -0.696 O1' ATOM 4 H2 AGC 1 2.350 -1.233 -1.568 HO1' ATOM 5 C3 AGC 1 1.199 0.066 1.126 C2' ATOM 6 H3 AGC 1 1.065 1.110 1.409 H2' ATOM 7 O4 AGC 1 2.083 -0.571 1.993 O2' ATOM 8 H4 AGC 1 2.900 -0.095 2.034 HO2' ATOM 9 C5 AGC 1 -0.154 -0.635 1.212 C3' ATOM 10 H5 AGC 1 0.003 -1.683 0.988 H3' ATOM 11 O6 AGC 1 -0.685 -0.606 2.503 O3' ATOM 12 H6 AGC 1 -1.004 0.264 2.703 HO3' ATOM 13 C7 AGC 1 -1.121 -0.028 0.192 C4' ATOM 14 H7 AGC 1 -1.368 0.984 0.485 H4' ATOM 15 O8 AGC 1 -2.340 -0.716 0.155 O4' ATOM 16 H8 AGC 1 -2.193 -1.618 -0.097 HO4' ATOM 17 C9 AGC 1 -0.496 0.048 -1.205 C5' ATOM 18 H9 AGC 1 -0.393 -0.961 -1.599 H5' ATOM 19 O10 AGC 1 0.771 0.664 -1.157 O5' ATOM 20 CT11 AGC 1 -1.347 0.835 -2.183 C6' ATOM 21 H111 AGC 1 -2.287 0.310 -2.320 H61' ! Not equivalenced since = 0 ATOM 22 H112 AGC 1 -0.827 0.871 -3.136 H62' ! ATOM 23 O12 AGC 1 -1.559 2.126 -1.681 O6' ATOM 24 H12 AGC 1 -2.173 2.584 -2.237 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 AGC 1 1.657 0.068 0.061 C1' ATOM 2 H1 AGC 1 2.595 0.613 0.101 H1' ATOM 3 O2 AGC 1 1.878 -1.248 -0.310 O1' ATOM 4 H2 AGC 1 2.284 -1.258 -1.168 HO1' ATOM 5 C3 AGC 1 0.976 0.090 1.430 C2' ATOM 6 H3 AGC 1 0.920 1.140 1.727 H2' ATOM 7 O4 AGC 1 1.664 -0.652 2.385 O2' ATOM 8 H4 AGC 1 2.566 -0.366 2.437 HO2' ATOM 9 C5 AGC 1 -0.445 -0.458 1.329 C3' ATOM 10 H5 AGC 1 -0.374 -1.516 1.108 H3' ATOM 11 O6 AGC 1 -1.130 -0.379 2.542 O3' ATOM 12 H6 AGC 1 -1.276 0.527 2.777 HO3' ATOM 13 C7 AGC 1 -1.208 0.243 0.200 C4' ATOM 14 H7 AGC 1 -1.370 1.283 0.469 H4' ATOM 15 O8 AGC 1 -2.487 -0.295 0.023 O4' ATOM 16 H8 AGC 1 -2.422 -1.211 -0.216 HO4' ATOM 17 C9 AGC 1 -0.402 0.221 -1.102 C5' ATOM 18 H9 AGC 1 -0.319 -0.801 -1.457 H5' ATOM 19 O10 AGC 1 0.885 0.751 -0.869 O5' ATOM 20 CT11 AGC 1 -1.039 1.049 -2.198 C6' ATOM 21 H11 AGC 1 -0.934 2.102 -1.948 H61' ATOM 22 H11 AGC 1 -2.095 0.810 -2.253 H62' ATOM 23 O12 AGC 1 -0.390 0.748 -3.403 O6' ATOM 24 H12 AGC 1 -0.726 1.303 -4.092 HO6' END