NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
647726 | 6vvj | 30724 | cing | 1-original | 1 | AMBER | unknown |
# Restraints file 1: Cap1G-TPUA.top %VERSION VERSION_STAMP = V0001.000 DATE = 02/16/20 19:46:26 %FLAG TITLE %FORMAT(20a4) default_name %FLAG POINTERS %FORMAT(10I8) 4179 14 1390 3113 3196 4861 7174 9631 0 0 23390 130 3113 4861 9631 50 104 68 28 0 0 0 0 0 0 0 0 0 44 0 0 %FLAG ATOM_NAME %FORMAT(20a4) O11 P1 O12 O13 O23 P2 O21 O22 O5' C5' H5' H5''C4' H4' O4' C1' H1' C2' H2' O2' HO2'N9 C4 C5 C6 O6 N1 H1 C2 N2 H21 H22 N7 C7 H71 H72 H73 N3 C8 H8 C3' H3' O3' HO3'P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 O6 N1 H1 C2 N2 H21 H22 N3 C4 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 O4 N3 H3 C2 O2 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 N4 H41 H42 N3 C2 O2 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 O4 N3 H3 C2 O2 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 N4 H41 H42 N3 C2 O2 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 O4 N3 H3 C2 O2 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 N4 H41 H42 N3 C2 O2 C3' H3' C2' H2' O2' HO2' O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 O4 N3 H3 C2 O2 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 O4 N3 H3 C2 O2 C3' H3' C2' H2' O2' HO2' O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 O6 N1 H1 C2 N2 H21 H22 N3 C4 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 O4 N3 H3 C2 O2 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 O4 N3 H3 C2 O2 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 N6 H61 H62 N1 C2 H2 N3 C4 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 O6 N1 H1 C2 N2 H21 H22 N3 C4 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 N6 H61 H62 N1 C2 H2 N3 C4 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 N4 H41 H42 N3 C2 O2 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 N4 H41 H42 N3 C2 O2 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 N6 H61 H62 N1 C2 H2 N3 C4 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 O6 N1 H1 C2 N2 H21 H22 N3 C4 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 O6 N1 H1 C2 N2 H21 H22 N3 C4 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 O4 N3 H3 C2 O2 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 N4 H41 H42 N3 C2 O2 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 O6 N1 H1 C2 N2 H21 H22 N3 C4 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5'' C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 N6 H61 H62 N1 C2 H2 N3 C4 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 O6 N1 H1 C2 N2 H21 H22 N3 C4 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 N4 H41 H42 N3 C2 O2 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 N4 H41 H42 N3 C2 O2 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 N4 H41 H42 N3 C2 O2 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5'' C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 O6 N1 H1 C2 N2 H21 H22 N3 C4 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 O6 N1 H1 C2 N2 H21 H22 N3 C4 C3' H3' C2' H2' O2' HO2' O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 O6 N1 H1 C2 N2 H21 H22 N3 C4 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 N6 H61 H62 N1 C2 H2 N3 C4 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 O6 N1 H1 C2 N2 H21 H22 N3 C4 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 N4 H41 H42 N3 C2 O2 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5'' C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 O4 N3 H3 C2 O2 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 N4 H41 H42 N3 C2 O2 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 O4 N3 H3 C2 O2 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 N4 H41 H42 N3 C2 O2 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 O4 N3 H3 C2 O2 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 O6 N1 H1 C2 N2 H21 H22 N3 C4 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 O6 N1 H1 C2 N2 H21 H22 N3 C4 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5'' C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 N4 H41 H42 N3 C2 O2 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 O4 N3 H3 C2 O2 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 N6 H61 H62 N1 C2 H2 N3 C4 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 O6 N1 H1 C2 N2 H21 H22 N3 C4 C3' H3' C2' H2' O2' HO2' O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 N4 H41 H42 N3 C2 O2 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 N6 H61 H62 N1 C2 H2 N3 C4 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 N6 H61 H62 N1 C2 H2 N3 C4 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 O6 N1 H1 C2 N2 H21 H22 N3 C4 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 O6 N1 H1 C2 N2 H21 H22 N3 C4 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 N6 H61 H62 N1 C2 H2 N3 C4 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 N6 H61 H62 N1 C2 H2 N3 C4 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 N4 H41 H42 N3 C2 O2 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 N4 H41 H42 N3 C2 O2 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 N4 H41 H42 N3 C2 O2 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 N6 H61 H62 N1 C2 H2 N3 C4 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 N4 H41 H42 N3 C2 O2 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 O4 N3 H3 C2 O2 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 O6 N1 H1 C2 N2 H21 H22 N3 C4 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5'' C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 N4 H41 H42 N3 C2 O2 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 O4 N3 H3 C2 O2 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 O4 N3 H3 C2 O2 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 N6 H61 H62 N1 C2 H2 N3 C4 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 N6 H61 H62 N1 C2 H2 N3 C4 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 O6 N1 H1 C2 N2 H21 H22 N3 C4 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 N4 H41 H42 N3 C2 O2 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 N4 H41 H42 N3 C2 O2 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 O4 N3 H3 C2 O2 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 N4 H41 H42 N3 C2 O2 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 N6 H61 H62 N1 C2 H2 N3 C4 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 N6 H61 H62 N1 C2 H2 N3 C4 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5'' C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 O4 N3 H3 C2 O2 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 N6 H61 H62 N1 C2 H2 N3 C4 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 N6 H61 H62 N1 C2 H2 N3 C4 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 N6 H61 H62 N1 C2 H2 N3 C4 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 O6 N1 H1 C2 N2 H21 H22 N3 C4 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 N4 H41 H42 N3 C2 O2 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 O4 N3 H3 C2 O2 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 O4 N3 H3 C2 O2 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 O6 N1 H1 C2 N2 H21 H22 N3 C4 C3' H3' C2' H2' O2' HO2' O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 N4 H41 H42 N3 C2 O2 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 N4 H41 H42 N3 C2 O2 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 O4 N3 H3 C2 O2 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5'' C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 O4 N3 H3 C2 O2 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 O6 N1 H1 C2 N2 H21 H22 N3 C4 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 N6 H61 H62 N1 C2 H2 N3 C4 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 O6 N1 H1 C2 N2 H21 H22 N3 C4 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 O4 N3 H3 C2 O2 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 O6 N1 H1 C2 N2 H21 H22 N3 C4 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 N4 H41 H42 N3 C2 O2 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 N4 H41 H42 N3 C2 O2 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 O4 N3 H3 C2 O2 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 N4 H41 H42 N3 C2 O2 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 N6 H61 H62 N1 C2 H2 N3 C4 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 N6 H61 H62 N1 C2 H2 N3 C4 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 O6 N1 H1 C2 N2 H21 H22 N3 C4 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 N4 H41 H42 N3 C2 O2 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 N6 H61 H62 N1 C2 H2 N3 C4 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 O6 N1 H1 C2 N2 H21 H22 N3 C4 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 O4 N3 H3 C2 O2 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 O6 N1 H1 C2 N2 H21 H22 N3 C4 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5'' C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 O4 N3 H3 C2 O2 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 O6 N1 H1 C2 N2 H21 H22 N3 C4 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 O4 N3 H3 C2 O2 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 O6 N1 H1 C2 N2 H21 H22 N3 C4 C3' H3' C2' H2' O2' HO2' O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 N4 H41 H42 N3 C2 O2 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 N4 H41 H42 N3 C2 O2 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 N4 H41 H42 N3 C2 O2 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 N6 H61 H62 N1 C2 H2 N3 C4 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 O4 N3 H3 C2 O2 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 N4 H41 H42 N3 C2 O2 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 O4 N3 H3 C2 O2 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 N4 H41 H42 N3 C2 O2 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 O6 N1 H1 C2 N2 H21 H22 N3 C4 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 N6 H61 H62 N1 C2 H2 N3 C4 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 O6 N1 H1 C2 N2 H21 H22 N3 C4 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 N6 H61 H62 N1 C2 H2 N3 C4 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 O6 N1 H1 C2 N2 H21 H22 N3 C4 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 N6 H61 H62 N1 C2 H2 N3 C4 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 O6 N1 H1 C2 N2 H21 H22 N3 C4 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 N6 H61 H62 N1 C2 H2 N3 C4 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 O4 N3 H3 C2 O2 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 O6 N1 H1 C2 N2 H21 H22 N3 C4 C3' H3' C2' H2' O2' HO2' O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 O6 N1 H1 C2 N2 H21 H22 N3 C4 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 O6 N1 H1 C2 N2 H21 H22 N3 C4 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 O4 N3 H3 C2 O2 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 O6 N1 H1 C2 N2 H21 H22 N3 C4 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5'' C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 N4 H41 H42 N3 C2 O2 C3' H3' C2' H2' O2' HO2'O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 O6 N1 H1 C2 N2 H21 H22 N3 C4 C3' H3' C2' H2' O2' HO2'O3' HO3' %FLAG CHARGE %FORMAT(5E16.8) -1.62561138E+01 2.49135286E+01 -1.62561138E+01 -9.07470540E+00 -1.15638716E+01 2.72040717E+01 -1.72638070E+01 -1.72638070E+01 -1.19884512E+01 1.01680434E+00 1.23729417E+00 1.23729417E+00 1.94067495E+00 2.13929802E+00 -6.46527204E+00 3.48045930E-01 3.65539338E+00 1.22089410E+00 1.77120756E+00 -1.11866700E+01 7.62785478E+00 9.69426360E-01 9.31888422E+00 -7.50394314E+00 1.58552232E+01 -1.02955995E+01 -1.52702874E+01 7.92852273E+00 2.06057768E+01 -2.04290205E+01 9.08381655E+00 9.08381655E+00 2.46547719E+00 -4.92730992E+00 2.95565706E+00 2.95565706E+00 2.95565706E+00 -1.46306847E+01 2.50374402E+00 4.68495333E+00 3.68454906E+00 1.12067145E+00 -1.19192064E+01 7.97407848E+00 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2 1 1 1 10 5 5 3 2 1 5 7 3 2 7 10 5 4 12 6 11 15 7 12 7 3 6 8 8 5 2 1 4 3 2 1 1 10 5 5 3 2 1 5 7 3 2 7 10 5 4 12 6 11 15 7 12 7 3 6 7 7 4 7 3 5 4 2 1 1 1 10 5 5 3 2 1 5 7 3 2 7 10 5 4 12 6 11 15 7 12 7 3 6 8 8 5 2 1 4 3 2 1 1 10 5 5 3 2 1 5 7 3 2 7 10 5 4 12 6 11 15 7 12 7 3 6 7 7 4 7 3 5 4 2 1 1 1 10 5 5 3 2 1 5 7 3 2 7 10 5 4 12 6 11 15 7 12 7 3 6 8 8 5 2 1 4 3 2 1 1 10 5 5 3 2 1 5 7 3 2 7 10 5 4 12 6 11 15 7 12 7 3 6 7 7 4 7 3 5 4 2 1 1 1 10 5 5 3 2 1 5 7 3 2 7 10 5 4 12 6 11 15 7 12 7 3 6 8 8 5 2 1 4 3 2 1 1 10 5 5 3 2 1 5 7 3 2 7 10 5 4 12 6 11 15 7 13 9 4 6 3 5 3 3 2 2 1 10 5 5 3 2 1 5 7 3 2 7 10 5 4 12 6 11 15 7 12 7 3 6 7 7 4 7 3 5 4 2 1 1 1 10 5 5 3 2 1 5 7 3 2 7 10 5 4 12 6 11 15 7 12 7 3 6 7 7 4 7 3 5 4 2 1 1 1 10 5 5 3 2 1 5 7 3 2 7 10 5 4 12 6 11 15 7 12 7 3 6 7 7 4 7 3 5 4 2 1 1 1 10 5 5 3 2 1 5 7 3 2 7 10 5 4 12 6 11 15 7 13 9 4 6 3 5 3 3 2 2 1 10 5 5 3 2 1 5 7 3 2 7 10 5 4 12 6 11 15 7 12 7 3 6 7 7 4 7 3 5 4 2 1 1 1 10 5 5 3 2 1 5 7 3 2 7 10 5 4 12 6 11 15 7 12 9 4 7 3 6 4 2 1 2 2 1 10 5 5 3 2 1 5 7 3 2 7 10 5 4 12 6 11 15 7 12 7 3 6 7 7 4 7 3 5 4 2 1 1 1 7 5 5 3 2 1 1 1 %FLAG NONBONDED_PARM_INDEX %FORMAT(10I8) 1 2 4 7 11 16 22 29 37 46 56 67 79 92 2 3 5 8 12 17 23 30 38 47 57 68 80 93 4 5 6 9 13 18 24 31 39 48 58 69 81 94 7 8 9 10 14 19 25 32 40 49 59 70 82 95 11 12 13 14 15 20 26 33 41 50 60 71 83 96 16 17 18 19 20 21 27 34 42 51 61 72 84 97 22 23 24 25 26 27 28 35 43 52 62 73 85 98 29 30 31 32 33 34 35 36 44 53 63 74 86 99 37 38 39 40 41 42 43 44 45 54 64 75 87 100 46 47 48 49 50 51 52 53 54 55 65 76 88 101 56 57 58 59 60 61 62 63 64 65 66 77 89 102 67 68 69 70 71 72 73 74 75 76 77 78 90 103 79 80 81 82 83 84 85 86 87 88 89 90 91 104 92 93 94 95 96 97 98 99 100 101 102 103 104 105 %FLAG RESIDUE_LABEL %FORMAT(20a4) CAP G U C U C U C U U G U U A G A C C A G G U C G A G C C C G G G A G C U C U C U G G C U A G C A A G G A A C C C A C U G C U U A A G C C U C A A U A A A G C U U G C C U U G A G U G C C U C A A G C A G U G U G U G C C C A U C U C G A G A G A G A U G G G U G C G3 %FLAG RESIDUE_POINTER %FORMAT(10I8) 1 45 79 109 140 170 201 231 262 292 322 356 386 416 449 483 516 547 578 611 645 679 709 740 774 807 841 872 903 934 968 1002 1036 1069 1103 1134 1164 1195 1225 1256 1286 1320 1354 1385 1415 1448 1482 1513 1546 1579 1613 1647 1680 1713 1744 1775 1806 1839 1870 1900 1934 1965 1995 2025 2058 2091 2125 2156 2187 2217 2248 2281 2314 2344 2377 2410 2443 2477 2508 2538 2568 2602 2633 2664 2694 2724 2758 2791 2825 2855 2889 2920 2951 2981 3012 3045 3078 3112 3143 3176 3210 3240 3274 3304 3338 3368 3402 3433 3464 3495 3528 3558 3589 3619 3650 3684 3717 3751 3784 3818 3851 3885 3918 3948 3982 4016 4050 4080 4114 4145 %FLAG BOND_FORCE_CONSTANT %FORMAT(5E16.8) 5.53000000E+02 3.40000000E+02 3.20000000E+02 3.67000000E+02 5.00000000E+02 5.00000000E+02 4.34000000E+02 4.81000000E+02 4.83000000E+02 4.34000000E+02 4.27000000E+02 5.70000000E+02 4.18000000E+02 4.47000000E+02 5.00000000E+02 5.20000000E+02 4.61000000E+02 4.36000000E+02 4.40000000E+02 3.10000000E+02 3.40000000E+02 3.37000000E+02 3.20000000E+02 5.25000000E+02 2.30000000E+02 4.14000000E+02 3.67000000E+02 5.29000000E+02 4.40000000E+02 3.40000000E+02 3.10000000E+02 3.20000000E+02 3.67000000E+02 4.10000000E+02 3.67000000E+02 5.49000000E+02 4.48000000E+02 4.24000000E+02 4.57000000E+02 3.67000000E+02 4.27000000E+02 3.67000000E+02 5.49000000E+02 4.48000000E+02 3.67000000E+02 5.02000000E+02 4.69000000E+02 3.67000000E+02 5.29000000E+02 4.40000000E+02 %FLAG BOND_EQUIL_VALUE %FORMAT(5E16.8) 9.60000000E-01 1.09000000E+00 1.41000000E+00 1.08000000E+00 1.50000000E+00 1.42000000E+00 1.01000000E+00 1.34000000E+00 1.33900000E+00 1.01000000E+00 1.38100000E+00 1.22900000E+00 1.38800000E+00 1.41900000E+00 1.38000000E+00 1.37000000E+00 1.35400000E+00 1.37400000E+00 1.37100000E+00 1.52600000E+00 1.09000000E+00 1.47500000E+00 1.41000000E+00 1.48000000E+00 1.61000000E+00 1.39100000E+00 1.08000000E+00 1.30400000E+00 1.37100000E+00 1.09000000E+00 1.52600000E+00 1.41000000E+00 1.08000000E+00 1.44400000E+00 1.08000000E+00 1.35000000E+00 1.36500000E+00 1.38300000E+00 1.35800000E+00 1.08000000E+00 1.43300000E+00 1.08000000E+00 1.35000000E+00 1.36500000E+00 1.08000000E+00 1.32400000E+00 1.40400000E+00 1.08000000E+00 1.30400000E+00 1.37100000E+00 %FLAG ANGLE_FORCE_CONSTANT %FORMAT(5E16.8) 5.00000000E+01 5.50000000E+01 3.50000000E+01 7.00000000E+01 7.00000000E+01 7.00000000E+01 3.50000000E+01 7.00000000E+01 5.00000000E+01 5.00000000E+01 7.00000000E+01 7.00000000E+01 8.00000000E+01 7.00000000E+01 5.00000000E+01 7.00000000E+01 7.00000000E+01 8.00000000E+01 7.00000000E+01 7.00000000E+01 7.00000000E+01 7.00000000E+01 6.30000000E+01 7.00000000E+01 7.00000000E+01 7.00000000E+01 7.00000000E+01 7.00000000E+01 5.00000000E+01 5.00000000E+01 5.00000000E+01 5.00000000E+01 5.00000000E+01 5.00000000E+01 4.00000000E+01 7.00000000E+01 7.00000000E+01 5.00000000E+01 5.00000000E+01 5.00000000E+01 5.00000000E+01 6.00000000E+01 1.00000000E+02 1.40000000E+02 1.00000000E+02 4.50000000E+01 1.26850000E+01 7.00000000E+01 7.00000000E+01 5.00000000E+01 7.00000000E+01 7.00000000E+01 5.00000000E+01 7.00000000E+01 7.00000000E+01 5.00000000E+01 3.50000000E+01 5.00000000E+01 5.00000000E+01 4.00000000E+01 5.00000000E+01 5.00000000E+01 1.00000000E+02 7.00000000E+01 5.00000000E+01 8.00000000E+01 7.00000000E+01 5.00000000E+01 7.00000000E+01 5.00000000E+01 6.30000000E+01 5.00000000E+01 7.00000000E+01 7.00000000E+01 8.00000000E+01 7.00000000E+01 7.00000000E+01 8.00000000E+01 7.00000000E+01 5.00000000E+01 7.00000000E+01 7.00000000E+01 5.00000000E+01 7.00000000E+01 5.00000000E+01 6.30000000E+01 5.00000000E+01 7.00000000E+01 7.00000000E+01 7.00000000E+01 5.00000000E+01 7.00000000E+01 7.00000000E+01 6.30000000E+01 7.00000000E+01 7.00000000E+01 7.00000000E+01 7.00000000E+01 5.00000000E+01 7.00000000E+01 7.00000000E+01 5.00000000E+01 7.00000000E+01 7.00000000E+01 %FLAG ANGLE_EQUIL_VALUE %FORMAT(5E16.8) 1.91113635E+00 1.89368305E+00 1.91113635E+00 2.08724015E+00 1.91288168E+00 2.20784245E+00 2.09439600E+00 2.08217869E+00 2.09439600E+00 2.05948940E+00 2.02458280E+00 2.15199189E+00 2.10486798E+00 2.26474021E+00 2.03854544E+00 2.18515316E+00 2.22878641E+00 2.24798504E+00 1.94255229E+00 2.32966648E+00 1.86628137E+00 1.83957782E+00 2.08043336E+00 1.93923616E+00 1.95826026E+00 1.85354046E+00 2.20260646E+00 1.87308816E+00 2.14762857E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 2.19562514E+00 2.24798504E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.88897066E+00 2.09265067E+00 2.10312265E+00 1.79070858E+00 2.61799500E+00 2.26892900E+00 1.92684432E+00 2.14762857E+00 1.83957782E+00 1.81165254E+00 2.14762857E+00 1.98793087E+00 2.24798504E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 2.10312265E+00 2.20609712E+00 2.08916001E+00 2.18689849E+00 1.99142153E+00 2.08916001E+00 2.12232128E+00 2.08916001E+00 2.10661331E+00 2.07868803E+00 2.11533996E+00 2.01411082E+00 2.11010397E+00 2.11533996E+00 2.05250808E+00 2.13802925E+00 2.10312265E+00 2.15199189E+00 2.09614133E+00 2.12057595E+00 2.08916001E+00 2.12232128E+00 2.08916001E+00 2.04203610E+00 2.07868803E+00 2.11533996E+00 2.06996138E+00 2.11533996E+00 2.01498349E+00 1.93731630E+00 2.25322103E+00 2.04727209E+00 2.06996138E+00 2.15548255E+00 2.04727209E+00 2.31081692E+00 2.14762857E+00 1.83957782E+00 1.81165254E+00 2.14762857E+00 1.98793087E+00 2.24798504E+00 %FLAG DIHEDRAL_FORCE_CONSTANT %FORMAT(5E16.8) 1.66666667E-01 1.65000000E+00 0.00000000E+00 3.75000000E+00 5.45000000E+00 2.40000000E+00 1.50000000E+00 3.00000000E+00 1.35000000E+00 4.15000000E+00 1.70000000E+00 4.80000000E+00 1.55555556E-01 2.50000000E-01 1.60000000E-01 0.00000000E+00 1.17500000E+00 1.44000000E-01 1.00000000E-01 3.83000000E-01 2.50000000E+00 3.83333333E-01 6.50000000E-01 2.00000000E-01 2.50000000E-01 1.80000000E-01 -4.06000000E-01 5.89500000E-01 3.50000000E-02 8.97000000E-01 -1.56000000E+00 1.85181000E-01 1.25653100E+00 3.54858000E-01 -3.54500000E-01 1.00000000E+01 2.55000000E+00 7.05100000E-01 1.06546000E+00 4.42730000E-01 2.56020000E-01 1.17804000E+00 9.21020000E-02 9.62830000E-01 2.50000000E-01 2.17500000E+00 1.85000000E+00 6.65000000E+00 1.45000000E+00 3.00000000E-01 1.02514000E+00 1.74876000E+00 5.81500000E-01 3.51480000E-01 4.00000000E+00 1.22506000E+00 1.63459000E+00 9.37470000E-01 3.10330000E-01 6.80000000E+00 3.50000000E+00 9.65610000E-01 1.07403000E+00 4.57540000E-01 3.09170000E-01 1.10000000E+00 1.00000000E+00 1.05000000E+01 %FLAG DIHEDRAL_PERIODICITY %FORMAT(5E16.8) 3.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 3.00000000E+00 1.00000000E+00 3.00000000E+00 3.00000000E+00 2.00000000E+00 3.00000000E+00 2.00000000E+00 3.00000000E+00 1.00000000E+00 3.00000000E+00 2.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 2.00000000E+00 3.00000000E+00 3.00000000E+00 1.00000000E+00 1.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 3.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 3.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 2.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 2.00000000E+00 2.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 %FLAG DIHEDRAL_PHASE %FORMAT(5E16.8) 0.00000000E+00 3.14159400E+00 0.00000000E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 3.14159400E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 3.14159400E+00 3.14159400E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 5.54929070E-01 6.14285649E+00 6.23514744E+00 0.00000000E+00 3.14159400E+00 3.14159400E+00 1.30473540E+00 1.08709624E-01 2.94350428E+00 6.93698862E-02 3.33317067E+00 5.15976777E+00 6.07541257E+00 0.00000000E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 0.00000000E+00 2.61552187E+00 2.92601084E-01 3.13020398E+00 2.79280725E-01 3.14159400E+00 2.56544660E+00 2.87571043E-01 3.24417403E+00 5.61280675E-01 3.14159400E+00 3.14159400E+00 1.20061600E+00 2.72899799E-01 2.99461452E+00 3.33220149E-01 3.14159400E+00 3.14159400E+00 3.14159400E+00 %FLAG SCEE_SCALE_FACTOR %FORMAT(5E16.8) 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 %FLAG SCNB_SCALE_FACTOR %FORMAT(5E16.8) 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 %FLAG SOLTY %FORMAT(5E16.8) 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 %FLAG LENNARD_JONES_ACOEF %FORMAT(5E16.8) 3.79876399E+05 1.64263766E+06 6.02589390E+06 3.70622491E+05 1.58759528E+06 3.61397723E+05 6.47841731E+05 2.54188684E+06 6.28541240E+05 1.04308023E+06 3.69471530E+04 1.81087383E+05 3.63097246E+04 6.78771368E+04 3.25969625E+03 2.47595516E+04 1.27716552E+05 2.44050579E+04 4.68930885E+04 2.09814978E+03 1.32801250E+03 4.71003287E+05 1.98683736E+06 4.58874091E+05 7.91544157E+05 4.66922514E+04 3.15360051E+04 5.81803229E+05 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 6.06829342E+05 2.45746558E+06 5.89818288E+05 9.95480466E+05 6.20665997E+04 4.24594555E+04 7.44975864E+05 0.00000000E+00 9.44293233E+05 5.74393458E+05 2.25370349E+06 5.57281136E+05 9.24822270E+05 6.01816484E+04 4.15766412E+04 7.01803794E+05 0.00000000E+00 8.82619071E+05 8.19971662E+05 1.02595236E+03 8.41065839E+03 1.03954408E+03 2.56678134E+03 5.94667300E+01 3.20009193E+01 1.40467023E+03 0.00000000E+00 2.12601181E+03 2.27577561E+03 1.39982777E-01 3.23283631E+04 1.60682053E+05 3.17965283E+04 5.98885646E+04 2.82099197E+03 1.80748014E+03 4.09427581E+04 0.00000000E+00 5.46147253E+04 5.30987710E+04 4.90239937E+01 2.43828624E+03 3.93690817E+04 1.90880272E+05 3.86654993E+04 7.18621074E+04 3.50301067E+03 2.26273716E+03 4.96707306E+04 0.00000000E+00 6.58473870E+04 6.37148278E+04 6.63368273E+01 3.03448006E+03 3.76169105E+03 4.77908183E+04 2.26202022E+05 4.68711055E+04 8.59947003E+04 4.33325458E+03 2.82099197E+03 6.00750218E+04 0.00000000E+00 7.91627154E+04 7.62451550E+04 8.90987508E+01 3.76169105E+03 4.64559155E+03 5.71629601E+03 %FLAG LENNARD_JONES_BCOEF %FORMAT(5E16.8) 5.64885984E+02 1.16041466E+03 2.19561270E+03 5.29252520E+02 1.08210555E+03 4.95732238E+02 6.26720080E+02 1.22636552E+03 5.85549272E+02 6.75612247E+02 9.21192136E+01 2.01468199E+02 8.66220817E+01 1.06076943E+02 1.43076527E+01 7.54103785E+01 1.69194406E+02 7.10161395E+01 8.81685417E+01 1.14788417E+01 9.13231543E+00 6.29300710E+02 1.27682121E+03 5.89183300E+02 6.93079947E+02 1.03606917E+02 8.51470647E+01 6.99746810E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 6.77220874E+02 1.34630496E+03 6.33305958E+02 7.36907417E+02 1.13252061E+02 9.36708259E+01 7.50714425E+02 0.00000000E+00 8.01323529E+02 5.55666448E+02 1.08732781E+03 5.19163331E+02 5.99015525E+02 9.40505980E+01 7.81725398E+01 6.14502845E+02 0.00000000E+00 6.53361429E+02 5.31102864E+02 1.53505284E+01 4.34187588E+01 1.46567808E+01 2.06278363E+01 1.93248820E+00 1.41762397E+00 1.79702257E+01 0.00000000E+00 2.09604198E+01 1.82891803E+01 9.37598976E-02 8.51921330E+01 1.87626421E+02 8.01410250E+01 9.85097219E+01 1.31591746E+01 1.05333009E+01 9.59185913E+01 0.00000000E+00 1.05031585E+02 8.73413012E+01 1.73473071E+00 1.20953369E+01 9.40124296E+01 2.04498832E+02 8.83744760E+01 1.07908863E+02 1.46638650E+01 1.17854122E+01 1.05648788E+02 0.00000000E+00 1.15327881E+02 9.56748258E+01 2.01792524E+00 1.34932874E+01 1.50233639E+01 1.03580945E+02 2.22617115E+02 9.73010751E+01 1.18043746E+02 1.63092814E+01 1.31591746E+01 1.16187983E+02 0.00000000E+00 1.26451907E+02 1.04660679E+02 2.33864085E+00 1.50233639E+01 1.66953734E+01 1.85196588E+01 %FLAG BONDS_INC_HYDROGEN %FORMAT(10I8) 225 228 1 219 222 2 213 216 2 198 201 7 198 204 7 189 192 10 171 174 27 162 165 21 153 156 2 144 147 30 144 150 30 315 318 1 309 312 2 303 306 2 291 294 10 279 282 33 273 276 35 264 267 21 255 258 2 246 249 30 246 252 30 408 411 1 402 405 2 396 399 2 378 381 7 378 384 7 369 372 40 363 366 42 354 357 21 345 348 2 336 339 30 336 342 30 498 501 1 492 495 2 486 489 2 474 477 10 462 465 33 456 459 35 447 450 21 438 441 2 429 432 30 429 435 30 591 594 1 585 588 2 579 582 2 561 564 7 561 567 7 552 555 40 546 549 42 537 540 21 528 531 2 519 522 30 519 525 30 681 684 1 675 678 2 669 672 2 657 660 10 645 648 33 639 642 35 630 633 21 621 624 2 612 615 30 612 618 30 774 777 1 768 771 2 762 765 2 744 747 7 744 750 7 735 738 40 729 732 42 720 723 21 711 714 2 702 705 30 702 708 30 864 867 1 858 861 2 852 855 2 840 843 10 828 831 33 822 825 35 813 816 21 804 807 2 795 798 30 795 801 30 954 957 1 948 951 2 942 945 2 930 933 10 918 921 33 912 915 35 903 906 21 894 897 2 885 888 30 885 891 30 1056 1059 1 1050 1053 2 1044 1047 2 1029 1032 7 1029 1035 7 1020 1023 10 1002 1005 27 993 996 21 984 987 2 975 978 30 975 981 30 1146 1149 1 1140 1143 2 1134 1137 2 1122 1125 10 1110 1113 33 1104 1107 35 1095 1098 21 1086 1089 2 1077 1080 30 1077 1083 30 1236 1239 1 1230 1233 2 1224 1227 2 1212 1215 10 1200 1203 33 1194 1197 35 1185 1188 21 1176 1179 2 1167 1170 30 1167 1173 30 1335 1338 1 1329 1332 2 1323 1326 2 1311 1314 45 1299 1302 7 1299 1305 7 1284 1287 48 1275 1278 21 1266 1269 2 1257 1260 30 1257 1263 30 1437 1440 1 1431 1434 2 1425 1428 2 1410 1413 7 1410 1416 7 1401 1404 10 1383 1386 27 1374 1377 21 1365 1368 2 1356 1359 30 1356 1362 30 1536 1539 1 1530 1533 2 1524 1527 2 1512 1515 45 1500 1503 7 1500 1506 7 1485 1488 48 1476 1479 21 1467 1470 2 1458 1461 30 1458 1464 30 1629 1632 1 1623 1626 2 1617 1620 2 1599 1602 7 1599 1605 7 1590 1593 40 1584 1587 42 1575 1578 21 1566 1569 2 1557 1560 30 1557 1563 30 1722 1725 1 1716 1719 2 1710 1713 2 1692 1695 7 1692 1698 7 1683 1686 40 1677 1680 42 1668 1671 21 1659 1662 2 1650 1653 30 1650 1656 30 1821 1824 1 1815 1818 2 1809 1812 2 1797 1800 45 1785 1788 7 1785 1791 7 1770 1773 48 1761 1764 21 1752 1755 2 1743 1746 30 1743 1749 30 1923 1926 1 1917 1920 2 1911 1914 2 1896 1899 7 1896 1902 7 1887 1890 10 1869 1872 27 1860 1863 21 1851 1854 2 1842 1845 30 1842 1848 30 2025 2028 1 2019 2022 2 2013 2016 2 1998 2001 7 1998 2004 7 1989 1992 10 1971 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2 3456 3459 10 3444 3447 33 3438 3441 35 3429 3432 21 3420 3423 2 3411 3414 30 3411 3417 30 3573 3576 1 3567 3570 2 3561 3564 2 3543 3546 7 3543 3549 7 3534 3537 40 3528 3531 42 3519 3522 21 3510 3513 2 3501 3504 30 3501 3507 30 3663 3666 1 3657 3660 2 3651 3654 2 3639 3642 10 3627 3630 33 3621 3624 35 3612 3615 21 3603 3606 2 3594 3597 30 3594 3600 30 3756 3759 1 3750 3753 2 3744 3747 2 3726 3729 7 3726 3732 7 3717 3720 40 3711 3714 42 3702 3705 21 3693 3696 2 3684 3687 30 3684 3690 30 3846 3849 1 3840 3843 2 3834 3837 2 3822 3825 10 3810 3813 33 3804 3807 35 3795 3798 21 3786 3789 2 3777 3780 30 3777 3783 30 3948 3951 1 3942 3945 2 3936 3939 2 3921 3924 7 3921 3927 7 3912 3915 10 3894 3897 27 3885 3888 21 3876 3879 2 3867 3870 30 3867 3873 30 4050 4053 1 4044 4047 2 4038 4041 2 4023 4026 7 4023 4029 7 4014 4017 10 3996 3999 27 3987 3990 21 3978 3981 2 3969 3972 30 3969 3975 30 4143 4146 1 4137 4140 2 4131 4134 2 4113 4116 7 4113 4119 7 4104 4107 40 4098 4101 42 4089 4092 21 4080 4083 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4917 4920 2 4902 4905 7 4902 4908 7 4893 4896 10 4875 4878 27 4866 4869 21 4857 4860 2 4848 4851 30 4848 4854 30 5028 5031 1 5022 5025 2 5016 5019 2 5004 5007 45 4992 4995 7 4992 4998 7 4977 4980 48 4968 4971 21 4959 4962 2 4950 4953 30 4950 4956 30 5127 5130 1 5121 5124 2 5115 5118 2 5103 5106 45 5091 5094 7 5091 5097 7 5076 5079 48 5067 5070 21 5058 5061 2 5049 5052 30 5049 5055 30 5220 5223 1 5214 5217 2 5208 5211 2 5190 5193 7 5190 5196 7 5181 5184 40 5175 5178 42 5166 5169 21 5157 5160 2 5148 5151 30 5148 5154 30 5313 5316 1 5307 5310 2 5301 5304 2 5283 5286 7 5283 5289 7 5274 5277 40 5268 5271 42 5259 5262 21 5250 5253 2 5241 5244 30 5241 5247 30 5406 5409 1 5400 5403 2 5394 5397 2 5376 5379 7 5376 5382 7 5367 5370 40 5361 5364 42 5352 5355 21 5343 5346 2 5334 5337 30 5334 5340 30 5505 5508 1 5499 5502 2 5493 5496 2 5481 5484 45 5469 5472 7 5469 5475 7 5454 5457 48 5445 5448 21 5436 5439 2 5427 5430 30 5427 5433 30 5598 5601 1 5592 5595 2 5586 5589 2 5568 5571 7 5568 5574 7 5559 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10404 30 10401 10407 30 10572 10575 1 10566 10569 2 10560 10563 2 10548 10551 45 10536 10539 7 10536 10542 7 10521 10524 48 10512 10515 21 10503 10506 2 10494 10497 30 10494 10500 30 10662 10665 1 10656 10659 2 10650 10653 2 10638 10641 10 10626 10629 33 10620 10623 35 10611 10614 21 10602 10605 2 10593 10596 30 10593 10599 30 10755 10758 1 10749 10752 2 10743 10746 2 10725 10728 7 10725 10731 7 10716 10719 40 10710 10713 42 10701 10704 21 10692 10695 2 10683 10686 30 10683 10689 30 10845 10848 1 10839 10842 2 10833 10836 2 10821 10824 10 10809 10812 33 10803 10806 35 10794 10797 21 10785 10788 2 10776 10779 30 10776 10782 30 10938 10941 1 10932 10935 2 10926 10929 2 10908 10911 7 10908 10914 7 10899 10902 40 10893 10896 42 10884 10887 21 10875 10878 2 10866 10869 30 10866 10872 30 11040 11043 1 11034 11037 2 11028 11031 2 11013 11016 7 11013 11019 7 11004 11007 10 10986 10989 27 10977 10980 21 10968 10971 2 10959 10962 30 10959 10965 30 11139 11142 1 11133 11136 2 11127 11130 2 11115 11118 45 11103 11106 7 11103 11109 7 11088 11091 48 11079 11082 21 11070 11073 2 11061 11064 30 11061 11067 30 11241 11244 1 11235 11238 2 11229 11232 2 11214 11217 7 11214 11220 7 11205 11208 10 11187 11190 27 11178 11181 21 11169 11172 2 11160 11163 30 11160 11166 30 11340 11343 1 11334 11337 2 11328 11331 2 11316 11319 45 11304 11307 7 11304 11310 7 11289 11292 48 11280 11283 21 11271 11274 2 11262 11265 30 11262 11268 30 11442 11445 1 11436 11439 2 11430 11433 2 11415 11418 7 11415 11421 7 11406 11409 10 11388 11391 27 11379 11382 21 11370 11373 2 11361 11364 30 11361 11367 30 11541 11544 1 11535 11538 2 11529 11532 2 11517 11520 45 11505 11508 7 11505 11511 7 11490 11493 48 11481 11484 21 11472 11475 2 11463 11466 30 11463 11469 30 11643 11646 1 11637 11640 2 11631 11634 2 11616 11619 7 11616 11622 7 11607 11610 10 11589 11592 27 11580 11583 21 11571 11574 2 11562 11565 30 11562 11568 30 11742 11745 1 11736 11739 2 11730 11733 2 11718 11721 45 11706 11709 7 11706 11712 7 11691 11694 48 11682 11685 21 11673 11676 2 11664 11667 30 11664 11670 30 11832 11835 1 11826 11829 2 11820 11823 2 11808 11811 10 11796 11799 33 11790 11793 35 11781 11784 21 11772 11775 2 11763 11766 30 11763 11769 30 11934 11937 1 11928 11931 2 11922 11925 2 11907 11910 7 11907 11913 7 11898 11901 10 11880 11883 27 11871 11874 21 11862 11865 2 11853 11856 30 11853 11859 30 12036 12039 1 12030 12033 2 12024 12027 2 12009 12012 7 12009 12015 7 12000 12003 10 11982 11985 27 11973 11976 21 11964 11967 2 11955 11958 30 11955 11961 30 12138 12141 1 12132 12135 2 12126 12129 2 12111 12114 7 12111 12117 7 12102 12105 10 12084 12087 27 12075 12078 21 12066 12069 2 12057 12060 30 12057 12063 30 12228 12231 1 12222 12225 2 12216 12219 2 12204 12207 10 12192 12195 33 12186 12189 35 12177 12180 21 12168 12171 2 12159 12162 30 12159 12165 30 12330 12333 1 12324 12327 2 12318 12321 2 12303 12306 7 12303 12309 7 12294 12297 10 12276 12279 27 12267 12270 21 12258 12261 2 12249 12252 30 12249 12255 30 12423 12426 1 12417 12420 2 12411 12414 2 12393 12396 7 12393 12399 7 12384 12387 40 12378 12381 42 12369 12372 21 12360 12363 2 12351 12354 30 12351 12357 30 12531 12534 1 12525 12528 1 12519 12522 2 12513 12516 2 12498 12501 7 12498 12504 7 12489 12492 10 12471 12474 27 12462 12465 21 12453 12456 2 12444 12447 30 12444 12450 30 %FLAG BONDS_WITHOUT_HYDROGEN %FORMAT(10I8) 126 129 1 120 123 2 120 126 3 114 117 4 99 102 2 99 105 2 99 108 2 96 99 5 96 114 6 87 90 7 87 93 7 84 87 8 84 111 9 78 81 10 78 84 11 72 75 12 72 78 13 69 72 14 69 96 15 66 69 16 66 111 17 63 66 18 63 114 19 57 60 1 51 54 2 51 57 3 51 120 20 45 48 21 45 51 20 45 63 22 42 45 23 36 39 2 36 42 23 36 120 20 27 30 2 27 33 2 27 36 20 24 27 23 15 18 24 15 21 24 15 24 25 12 15 25 9 132 25 3 6 24 3 9 25 3 12 25 0 3 24 231 234 25 219 225 3 213 219 20 213 231 23 207 210 17 195 198 8 195 207 9 189 195 11 183 186 12 183 189 13 180 183 14 180 210 16 177 180 26 171 177 28 168 171 29 168 210 18 162 168 22 162 219 20 159 162 23 153 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23 7824 7830 23 7824 7875 20 7815 7824 31 7812 7815 32 7803 7806 24 7803 7809 24 7803 7812 25 7986 7989 25 7974 7980 3 7968 7974 20 7968 7986 23 7962 7965 12 7959 7962 39 7947 7950 8 7947 7959 9 7941 7947 41 7935 7941 43 7932 7935 44 7932 7962 38 7926 7932 22 7926 7974 20 7923 7926 23 7917 7923 23 7917 7968 20 7908 7917 31 7905 7908 32 7896 7899 24 7896 7902 24 7896 7905 25 8076 8079 25 8064 8070 3 8058 8064 20 8058 8076 23 8052 8055 12 8046 8052 13 8040 8043 12 8040 8046 13 8034 8040 34 8028 8034 36 8025 8028 37 8025 8052 38 8019 8025 22 8019 8064 20 8016 8019 23 8010 8016 23 8010 8058 20 8001 8010 31 7998 8001 32 7989 7992 24 7989 7995 24 7989 7998 25 8166 8169 25 8154 8160 3 8148 8154 20 8148 8166 23 8142 8145 12 8136 8142 13 8130 8133 12 8130 8136 13 8124 8130 34 8118 8124 36 8115 8118 37 8115 8142 38 8109 8115 22 8109 8154 20 8106 8109 23 8100 8106 23 8100 8148 20 8091 8100 31 8088 8091 32 8079 8082 24 8079 8085 24 8079 8088 25 8268 8271 25 8256 8262 3 8250 8256 20 8250 8268 23 8244 8247 17 8232 8235 8 8232 8244 9 8226 8232 11 8220 8223 12 8220 8226 13 8217 8220 14 8217 8247 16 8214 8217 26 8208 8214 28 8205 8208 29 8205 8247 18 8199 8205 22 8199 8256 20 8196 8199 23 8190 8196 23 8190 8250 20 8181 8190 31 8178 8181 32 8169 8172 24 8169 8175 24 8169 8178 25 8367 8370 25 8355 8361 3 8349 8355 20 8349 8367 23 8343 8346 17 8337 8343 46 8334 8337 46 8322 8325 8 8322 8334 9 8319 8322 47 8319 8346 16 8316 8319 26 8310 8316 49 8307 8310 50 8307 8346 18 8301 8307 22 8301 8355 20 8298 8301 23 8292 8298 23 8292 8349 20 8283 8292 31 8280 8283 32 8271 8274 24 8271 8277 24 8271 8280 25 8469 8472 25 8457 8463 3 8451 8457 20 8451 8469 23 8445 8448 17 8433 8436 8 8433 8445 9 8427 8433 11 8421 8424 12 8421 8427 13 8418 8421 14 8418 8448 16 8415 8418 26 8409 8415 28 8406 8409 29 8406 8448 18 8400 8406 22 8400 8457 20 8397 8400 23 8391 8397 23 8391 8451 20 8382 8391 31 8379 8382 32 8370 8373 24 8370 8376 24 8370 8379 25 8559 8562 25 8547 8553 3 8541 8547 20 8541 8559 23 8535 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8787 8793 22 8787 8835 20 8784 8787 23 8778 8784 23 8778 8829 20 8769 8778 31 8766 8769 32 8757 8760 24 8757 8763 24 8757 8766 25 8937 8940 25 8925 8931 3 8919 8925 20 8919 8937 23 8913 8916 12 8907 8913 13 8901 8904 12 8901 8907 13 8895 8901 34 8889 8895 36 8886 8889 37 8886 8913 38 8880 8886 22 8880 8925 20 8877 8880 23 8871 8877 23 8871 8919 20 8862 8871 31 8859 8862 32 8850 8853 24 8850 8856 24 8850 8859 25 9030 9033 25 9018 9024 3 9012 9018 20 9012 9030 23 9006 9009 12 9003 9006 39 8991 8994 8 8991 9003 9 8985 8991 41 8979 8985 43 8976 8979 44 8976 9006 38 8970 8976 22 8970 9018 20 8967 8970 23 8961 8967 23 8961 9012 20 8952 8961 31 8949 8952 32 8940 8943 24 8940 8946 24 8940 8949 25 9129 9132 25 9117 9123 3 9111 9117 20 9111 9129 23 9105 9108 17 9099 9105 46 9096 9099 46 9084 9087 8 9084 9096 9 9081 9084 47 9081 9108 16 9078 9081 26 9072 9078 49 9069 9072 50 9069 9108 18 9063 9069 22 9063 9117 20 9060 9063 23 9054 9060 23 9054 9111 20 9045 9054 31 9042 9045 32 9033 9036 24 9033 9039 24 9033 9042 25 9228 9231 25 9216 9222 3 9210 9216 20 9210 9228 23 9204 9207 17 9198 9204 46 9195 9198 46 9183 9186 8 9183 9195 9 9180 9183 47 9180 9207 16 9177 9180 26 9171 9177 49 9168 9171 50 9168 9207 18 9162 9168 22 9162 9216 20 9159 9162 23 9153 9159 23 9153 9210 20 9144 9153 31 9141 9144 32 9132 9135 24 9132 9138 24 9132 9141 25 9330 9333 25 9318 9324 3 9312 9318 20 9312 9330 23 9306 9309 17 9294 9297 8 9294 9306 9 9288 9294 11 9282 9285 12 9282 9288 13 9279 9282 14 9279 9309 16 9276 9279 26 9270 9276 28 9267 9270 29 9267 9309 18 9261 9267 22 9261 9318 20 9258 9261 23 9252 9258 23 9252 9312 20 9243 9252 31 9240 9243 32 9231 9234 24 9231 9237 24 9231 9240 25 9423 9426 25 9411 9417 3 9405 9411 20 9405 9423 23 9399 9402 12 9396 9399 39 9384 9387 8 9384 9396 9 9378 9384 41 9372 9378 43 9369 9372 44 9369 9399 38 9363 9369 22 9363 9411 20 9360 9363 23 9354 9360 23 9354 9405 20 9345 9354 31 9342 9345 32 9333 9336 24 9333 9339 24 9333 9342 25 9522 9525 25 9510 9516 3 9504 9510 20 9504 9522 23 9498 9501 17 9492 9498 46 9489 9492 46 9477 9480 8 9477 9489 9 9474 9477 47 9474 9501 16 9471 9474 26 9465 9471 49 9462 9465 50 9462 9501 18 9456 9462 22 9456 9510 20 9453 9456 23 9447 9453 23 9447 9504 20 9438 9447 31 9435 9438 32 9426 9429 24 9426 9432 24 9426 9435 25 9624 9627 25 9612 9618 3 9606 9612 20 9606 9624 23 9600 9603 17 9588 9591 8 9588 9600 9 9582 9588 11 9576 9579 12 9576 9582 13 9573 9576 14 9573 9603 16 9570 9573 26 9564 9570 28 9561 9564 29 9561 9603 18 9555 9561 22 9555 9612 20 9552 9555 23 9546 9552 23 9546 9606 20 9537 9546 31 9534 9537 32 9525 9528 24 9525 9531 24 9525 9534 25 9714 9717 25 9702 9708 3 9696 9702 20 9696 9714 23 9690 9693 12 9684 9690 13 9678 9681 12 9678 9684 13 9672 9678 34 9666 9672 36 9663 9666 37 9663 9690 38 9657 9663 22 9657 9702 20 9654 9657 23 9648 9654 23 9648 9696 20 9639 9648 31 9636 9639 32 9627 9630 24 9627 9633 24 9627 9636 25 9816 9819 25 9804 9810 3 9798 9804 20 9798 9816 23 9792 9795 17 9780 9783 8 9780 9792 9 9774 9780 11 9768 9771 12 9768 9774 13 9765 9768 14 9765 9795 16 9762 9765 26 9756 9762 28 9753 9756 29 9753 9795 18 9747 9753 22 9747 9804 20 9744 9747 23 9738 9744 23 9738 9798 20 9729 9738 31 9726 9729 32 9717 9720 24 9717 9723 24 9717 9726 25 9906 9909 25 9894 9900 3 9888 9894 20 9888 9906 23 9882 9885 12 9876 9882 13 9870 9873 12 9870 9876 13 9864 9870 34 9858 9864 36 9855 9858 37 9855 9882 38 9849 9855 22 9849 9894 20 9846 9849 23 9840 9846 23 9840 9888 20 9831 9840 31 9828 9831 32 9819 9822 24 9819 9825 24 9819 9828 25 10008 10011 25 9996 10002 3 9990 9996 20 9990 10008 23 9984 9987 17 9972 9975 8 9972 9984 9 9966 9972 11 9960 9963 12 9960 9966 13 9957 9960 14 9957 9987 16 9954 9957 26 9948 9954 28 9945 9948 29 9945 9987 18 9939 9945 22 9939 9996 20 9936 9939 23 9930 9936 23 9930 9990 20 9921 9930 31 9918 9921 32 9909 9912 24 9909 9915 24 9909 9918 25 10098 10101 25 10086 10092 3 10080 10086 20 10080 10098 23 10074 10077 12 10068 10074 13 10062 10065 12 10062 10068 13 10056 10062 34 10050 10056 36 10047 10050 37 10047 10074 38 10041 10047 22 10041 10086 20 10038 10041 23 10032 10038 23 10032 10080 20 10023 10032 31 10020 10023 32 10011 10014 24 10011 10017 24 10011 10020 25 10200 10203 25 10188 10194 3 10182 10188 20 10182 10200 23 10176 10179 17 10164 10167 8 10164 10176 9 10158 10164 11 10152 10155 12 10152 10158 13 10149 10152 14 10149 10179 16 10146 10149 26 10140 10146 28 10137 10140 29 10137 10179 18 10131 10137 22 10131 10188 20 10128 10131 23 10122 10128 23 10122 10182 20 10113 10122 31 10110 10113 32 10101 10104 24 10101 10107 24 10101 10110 25 10293 10296 25 10281 10287 3 10275 10281 20 10275 10293 23 10269 10272 12 10266 10269 39 10254 10257 8 10254 10266 9 10248 10254 41 10242 10248 43 10239 10242 44 10239 10269 38 10233 10239 22 10233 10281 20 10230 10233 23 10224 10230 23 10224 10275 20 10215 10224 31 10212 10215 32 10203 10206 24 10203 10209 24 10203 10212 25 10386 10389 25 10374 10380 3 10368 10374 20 10368 10386 23 10362 10365 12 10359 10362 39 10347 10350 8 10347 10359 9 10341 10347 41 10335 10341 43 10332 10335 44 10332 10362 38 10326 10332 22 10326 10374 20 10323 10326 23 10317 10323 23 10317 10368 20 10308 10317 31 10305 10308 32 10296 10299 24 10296 10302 24 10296 10305 25 10479 10482 25 10467 10473 3 10461 10467 20 10461 10479 23 10455 10458 12 10452 10455 39 10440 10443 8 10440 10452 9 10434 10440 41 10428 10434 43 10425 10428 44 10425 10455 38 10419 10425 22 10419 10467 20 10416 10419 23 10410 10416 23 10410 10461 20 10401 10410 31 10398 10401 32 10389 10392 24 10389 10395 24 10389 10398 25 10578 10581 25 10566 10572 3 10560 10566 20 10560 10578 23 10554 10557 17 10548 10554 46 10545 10548 46 10533 10536 8 10533 10545 9 10530 10533 47 10530 10557 16 10527 10530 26 10521 10527 49 10518 10521 50 10518 10557 18 10512 10518 22 10512 10566 20 10509 10512 23 10503 10509 23 10503 10560 20 10494 10503 31 10491 10494 32 10482 10485 24 10482 10488 24 10482 10491 25 10668 10671 25 10656 10662 3 10650 10656 20 10650 10668 23 10644 10647 12 10638 10644 13 10632 10635 12 10632 10638 13 10626 10632 34 10620 10626 36 10617 10620 37 10617 10644 38 10611 10617 22 10611 10656 20 10608 10611 23 10602 10608 23 10602 10650 20 10593 10602 31 10590 10593 32 10581 10584 24 10581 10587 24 10581 10590 25 10761 10764 25 10749 10755 3 10743 10749 20 10743 10761 23 10737 10740 12 10734 10737 39 10722 10725 8 10722 10734 9 10716 10722 41 10710 10716 43 10707 10710 44 10707 10737 38 10701 10707 22 10701 10749 20 10698 10701 23 10692 10698 23 10692 10743 20 10683 10692 31 10680 10683 32 10671 10674 24 10671 10677 24 10671 10680 25 10851 10854 25 10839 10845 3 10833 10839 20 10833 10851 23 10827 10830 12 10821 10827 13 10815 10818 12 10815 10821 13 10809 10815 34 10803 10809 36 10800 10803 37 10800 10827 38 10794 10800 22 10794 10839 20 10791 10794 23 10785 10791 23 10785 10833 20 10776 10785 31 10773 10776 32 10764 10767 24 10764 10770 24 10764 10773 25 10944 10947 25 10932 10938 3 10926 10932 20 10926 10944 23 10920 10923 12 10917 10920 39 10905 10908 8 10905 10917 9 10899 10905 41 10893 10899 43 10890 10893 44 10890 10920 38 10884 10890 22 10884 10932 20 10881 10884 23 10875 10881 23 10875 10926 20 10866 10875 31 10863 10866 32 10854 10857 24 10854 10860 24 10854 10863 25 11046 11049 25 11034 11040 3 11028 11034 20 11028 11046 23 11022 11025 17 11010 11013 8 11010 11022 9 11004 11010 11 10998 11001 12 10998 11004 13 10995 10998 14 10995 11025 16 10992 10995 26 10986 10992 28 10983 10986 29 10983 11025 18 10977 10983 22 10977 11034 20 10974 10977 23 10968 10974 23 10968 11028 20 10959 10968 31 10956 10959 32 10947 10950 24 10947 10953 24 10947 10956 25 11145 11148 25 11133 11139 3 11127 11133 20 11127 11145 23 11121 11124 17 11115 11121 46 11112 11115 46 11100 11103 8 11100 11112 9 11097 11100 47 11097 11124 16 11094 11097 26 11088 11094 49 11085 11088 50 11085 11124 18 11079 11085 22 11079 11133 20 11076 11079 23 11070 11076 23 11070 11127 20 11061 11070 31 11058 11061 32 11049 11052 24 11049 11055 24 11049 11058 25 11247 11250 25 11235 11241 3 11229 11235 20 11229 11247 23 11223 11226 17 11211 11214 8 11211 11223 9 11205 11211 11 11199 11202 12 11199 11205 13 11196 11199 14 11196 11226 16 11193 11196 26 11187 11193 28 11184 11187 29 11184 11226 18 11178 11184 22 11178 11235 20 11175 11178 23 11169 11175 23 11169 11229 20 11160 11169 31 11157 11160 32 11148 11151 24 11148 11154 24 11148 11157 25 11346 11349 25 11334 11340 3 11328 11334 20 11328 11346 23 11322 11325 17 11316 11322 46 11313 11316 46 11301 11304 8 11301 11313 9 11298 11301 47 11298 11325 16 11295 11298 26 11289 11295 49 11286 11289 50 11286 11325 18 11280 11286 22 11280 11334 20 11277 11280 23 11271 11277 23 11271 11328 20 11262 11271 31 11259 11262 32 11250 11253 24 11250 11256 24 11250 11259 25 11448 11451 25 11436 11442 3 11430 11436 20 11430 11448 23 11424 11427 17 11412 11415 8 11412 11424 9 11406 11412 11 11400 11403 12 11400 11406 13 11397 11400 14 11397 11427 16 11394 11397 26 11388 11394 28 11385 11388 29 11385 11427 18 11379 11385 22 11379 11436 20 11376 11379 23 11370 11376 23 11370 11430 20 11361 11370 31 11358 11361 32 11349 11352 24 11349 11355 24 11349 11358 25 11547 11550 25 11535 11541 3 11529 11535 20 11529 11547 23 11523 11526 17 11517 11523 46 11514 11517 46 11502 11505 8 11502 11514 9 11499 11502 47 11499 11526 16 11496 11499 26 11490 11496 49 11487 11490 50 11487 11526 18 11481 11487 22 11481 11535 20 11478 11481 23 11472 11478 23 11472 11529 20 11463 11472 31 11460 11463 32 11451 11454 24 11451 11457 24 11451 11460 25 11649 11652 25 11637 11643 3 11631 11637 20 11631 11649 23 11625 11628 17 11613 11616 8 11613 11625 9 11607 11613 11 11601 11604 12 11601 11607 13 11598 11601 14 11598 11628 16 11595 11598 26 11589 11595 28 11586 11589 29 11586 11628 18 11580 11586 22 11580 11637 20 11577 11580 23 11571 11577 23 11571 11631 20 11562 11571 31 11559 11562 32 11550 11553 24 11550 11556 24 11550 11559 25 11748 11751 25 11736 11742 3 11730 11736 20 11730 11748 23 11724 11727 17 11718 11724 46 11715 11718 46 11703 11706 8 11703 11715 9 11700 11703 47 11700 11727 16 11697 11700 26 11691 11697 49 11688 11691 50 11688 11727 18 11682 11688 22 11682 11736 20 11679 11682 23 11673 11679 23 11673 11730 20 11664 11673 31 11661 11664 32 11652 11655 24 11652 11658 24 11652 11661 25 11838 11841 25 11826 11832 3 11820 11826 20 11820 11838 23 11814 11817 12 11808 11814 13 11802 11805 12 11802 11808 13 11796 11802 34 11790 11796 36 11787 11790 37 11787 11814 38 11781 11787 22 11781 11826 20 11778 11781 23 11772 11778 23 11772 11820 20 11763 11772 31 11760 11763 32 11751 11754 24 11751 11757 24 11751 11760 25 11940 11943 25 11928 11934 3 11922 11928 20 11922 11940 23 11916 11919 17 11904 11907 8 11904 11916 9 11898 11904 11 11892 11895 12 11892 11898 13 11889 11892 14 11889 11919 16 11886 11889 26 11880 11886 28 11877 11880 29 11877 11919 18 11871 11877 22 11871 11928 20 11868 11871 23 11862 11868 23 11862 11922 20 11853 11862 31 11850 11853 32 11841 11844 24 11841 11847 24 11841 11850 25 12042 12045 25 12030 12036 3 12024 12030 20 12024 12042 23 12018 12021 17 12006 12009 8 12006 12018 9 12000 12006 11 11994 11997 12 11994 12000 13 11991 11994 14 11991 12021 16 11988 11991 26 11982 11988 28 11979 11982 29 11979 12021 18 11973 11979 22 11973 12030 20 11970 11973 23 11964 11970 23 11964 12024 20 11955 11964 31 11952 11955 32 11943 11946 24 11943 11949 24 11943 11952 25 12144 12147 25 12132 12138 3 12126 12132 20 12126 12144 23 12120 12123 17 12108 12111 8 12108 12120 9 12102 12108 11 12096 12099 12 12096 12102 13 12093 12096 14 12093 12123 16 12090 12093 26 12084 12090 28 12081 12084 29 12081 12123 18 12075 12081 22 12075 12132 20 12072 12075 23 12066 12072 23 12066 12126 20 12057 12066 31 12054 12057 32 12045 12048 24 12045 12051 24 12045 12054 25 12234 12237 25 12222 12228 3 12216 12222 20 12216 12234 23 12210 12213 12 12204 12210 13 12198 12201 12 12198 12204 13 12192 12198 34 12186 12192 36 12183 12186 37 12183 12210 38 12177 12183 22 12177 12222 20 12174 12177 23 12168 12174 23 12168 12216 20 12159 12168 31 12156 12159 32 12147 12150 24 12147 12153 24 12147 12156 25 12336 12339 25 12324 12330 3 12318 12324 20 12318 12336 23 12312 12315 17 12300 12303 8 12300 12312 9 12294 12300 11 12288 12291 12 12288 12294 13 12285 12288 14 12285 12315 16 12282 12285 26 12276 12282 28 12273 12276 29 12273 12315 18 12267 12273 22 12267 12324 20 12264 12267 23 12258 12264 23 12258 12318 20 12249 12258 31 12246 12249 32 12237 12240 24 12237 12243 24 12237 12246 25 12429 12432 25 12417 12423 3 12411 12417 20 12411 12429 23 12405 12408 12 12402 12405 39 12390 12393 8 12390 12402 9 12384 12390 41 12378 12384 43 12375 12378 44 12375 12405 38 12369 12375 22 12369 12417 20 12366 12369 23 12360 12366 23 12360 12411 20 12351 12360 31 12348 12351 32 12339 12342 24 12339 12345 24 12339 12348 25 12519 12525 3 12513 12519 20 12513 12531 3 12507 12510 17 12495 12498 8 12495 12507 9 12489 12495 11 12483 12486 12 12483 12489 13 12480 12483 14 12480 12510 16 12477 12480 26 12471 12477 28 12468 12471 29 12468 12510 18 12462 12468 22 12462 12519 20 12459 12462 23 12453 12459 23 12453 12513 20 12444 12453 31 12441 12444 32 12432 12435 24 12432 12438 24 12432 12441 25 %FLAG ANGLES_INC_HYDROGEN %FORMAT(10I8) 222 219 225 1 219 225 228 2 216 213 219 31 216 213 231 41 213 219 222 31 201 198 204 7 195 198 201 9 195 198 204 9 192 189 195 10 183 189 192 15 174 171 177 50 168 171 174 53 165 162 168 34 165 162 219 33 162 219 222 31 159 162 165 39 156 153 159 41 156 153 213 31 153 213 216 31 150 144 153 56 147 144 150 57 147 144 153 56 144 153 156 58 141 144 147 61 141 144 150 61 312 309 315 1 309 315 318 2 306 303 309 31 306 303 321 41 303 309 312 31 294 291 297 15 285 291 294 15 282 279 285 65 276 273 279 68 273 279 282 70 270 273 276 72 267 264 270 34 267 264 309 33 264 309 312 31 261 264 267 39 258 255 261 41 258 255 303 31 255 303 306 31 252 246 255 56 249 246 252 57 249 246 255 56 246 255 258 58 243 246 249 61 243 246 252 61 405 402 408 1 402 408 411 2 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8715 8718 8724 9 8712 8709 8715 80 8706 8703 8709 83 8703 8709 8712 85 8700 8703 8706 87 8697 8694 8700 34 8697 8694 8742 33 8694 8742 8745 31 8691 8694 8697 39 8688 8685 8691 41 8688 8685 8736 31 8685 8736 8739 31 8682 8676 8685 56 8679 8676 8682 57 8679 8676 8685 56 8676 8685 8688 58 8673 8676 8679 61 8673 8676 8682 61 8838 8835 8841 1 8835 8841 8844 2 8832 8829 8835 31 8832 8829 8847 41 8829 8835 8838 31 8814 8811 8817 7 8808 8811 8814 9 8808 8811 8817 9 8805 8802 8808 80 8799 8796 8802 83 8796 8802 8805 85 8793 8796 8799 87 8790 8787 8793 34 8790 8787 8835 33 8787 8835 8838 31 8784 8787 8790 39 8781 8778 8784 41 8781 8778 8829 31 8778 8829 8832 31 8775 8769 8778 56 8772 8769 8775 57 8772 8769 8778 56 8769 8778 8781 58 8766 8769 8772 61 8766 8769 8775 61 8928 8925 8931 1 8925 8931 8934 2 8922 8919 8925 31 8922 8919 8937 41 8919 8925 8928 31 8910 8907 8913 15 8901 8907 8910 15 8898 8895 8901 65 8892 8889 8895 68 8889 8895 8898 70 8886 8889 8892 72 8883 8880 8886 34 8883 8880 8925 33 8880 8925 8928 31 8877 8880 8883 39 8874 8871 8877 41 8874 8871 8919 31 8871 8919 8922 31 8868 8862 8871 56 8865 8862 8868 57 8865 8862 8871 56 8862 8871 8874 58 8859 8862 8865 61 8859 8862 8868 61 9021 9018 9024 1 9018 9024 9027 2 9015 9012 9018 31 9015 9012 9030 41 9012 9018 9021 31 8997 8994 9000 7 8991 8994 8997 9 8991 8994 9000 9 8988 8985 8991 80 8982 8979 8985 83 8979 8985 8988 85 8976 8979 8982 87 8973 8970 8976 34 8973 8970 9018 33 8970 9018 9021 31 8967 8970 8973 39 8964 8961 8967 41 8964 8961 9012 31 8961 9012 9015 31 8958 8952 8961 56 8955 8952 8958 57 8955 8952 8961 56 8952 8961 8964 58 8949 8952 8955 61 8949 8952 8958 61 9120 9117 9123 1 9117 9123 9126 2 9114 9111 9117 31 9114 9111 9129 41 9111 9117 9120 31 9102 9099 9105 91 9096 9099 9102 91 9090 9087 9093 7 9084 9087 9090 9 9084 9087 9093 9 9075 9072 9078 99 9069 9072 9075 102 9066 9063 9069 34 9066 9063 9117 33 9063 9117 9120 31 9060 9063 9066 39 9057 9054 9060 41 9057 9054 9111 31 9054 9111 9114 31 9051 9045 9054 56 9048 9045 9051 57 9048 9045 9054 56 9045 9054 9057 58 9042 9045 9048 61 9042 9045 9051 61 9219 9216 9222 1 9216 9222 9225 2 9213 9210 9216 31 9213 9210 9228 41 9210 9216 9219 31 9201 9198 9204 91 9195 9198 9201 91 9189 9186 9192 7 9183 9186 9189 9 9183 9186 9192 9 9174 9171 9177 99 9168 9171 9174 102 9165 9162 9168 34 9165 9162 9216 33 9162 9216 9219 31 9159 9162 9165 39 9156 9153 9159 41 9156 9153 9210 31 9153 9210 9213 31 9150 9144 9153 56 9147 9144 9150 57 9147 9144 9153 56 9144 9153 9156 58 9141 9144 9147 61 9141 9144 9150 61 9321 9318 9324 1 9318 9324 9327 2 9315 9312 9318 31 9315 9312 9330 41 9312 9318 9321 31 9300 9297 9303 7 9294 9297 9300 9 9294 9297 9303 9 9291 9288 9294 10 9282 9288 9291 15 9273 9270 9276 50 9267 9270 9273 53 9264 9261 9267 34 9264 9261 9318 33 9261 9318 9321 31 9258 9261 9264 39 9255 9252 9258 41 9255 9252 9312 31 9252 9312 9315 31 9249 9243 9252 56 9246 9243 9249 57 9246 9243 9252 56 9243 9252 9255 58 9240 9243 9246 61 9240 9243 9249 61 9414 9411 9417 1 9411 9417 9420 2 9408 9405 9411 31 9408 9405 9423 41 9405 9411 9414 31 9390 9387 9393 7 9384 9387 9390 9 9384 9387 9393 9 9381 9378 9384 80 9375 9372 9378 83 9372 9378 9381 85 9369 9372 9375 87 9366 9363 9369 34 9366 9363 9411 33 9363 9411 9414 31 9360 9363 9366 39 9357 9354 9360 41 9357 9354 9405 31 9354 9405 9408 31 9351 9345 9354 56 9348 9345 9351 57 9348 9345 9354 56 9345 9354 9357 58 9342 9345 9348 61 9342 9345 9351 61 9513 9510 9516 1 9510 9516 9519 2 9507 9504 9510 31 9507 9504 9522 41 9504 9510 9513 31 9495 9492 9498 91 9489 9492 9495 91 9483 9480 9486 7 9477 9480 9483 9 9477 9480 9486 9 9468 9465 9471 99 9462 9465 9468 102 9459 9456 9462 34 9459 9456 9510 33 9456 9510 9513 31 9453 9456 9459 39 9450 9447 9453 41 9450 9447 9504 31 9447 9504 9507 31 9444 9438 9447 56 9441 9438 9444 57 9441 9438 9447 56 9438 9447 9450 58 9435 9438 9441 61 9435 9438 9444 61 9615 9612 9618 1 9612 9618 9621 2 9609 9606 9612 31 9609 9606 9624 41 9606 9612 9615 31 9594 9591 9597 7 9588 9591 9594 9 9588 9591 9597 9 9585 9582 9588 10 9576 9582 9585 15 9567 9564 9570 50 9561 9564 9567 53 9558 9555 9561 34 9558 9555 9612 33 9555 9612 9615 31 9552 9555 9558 39 9549 9546 9552 41 9549 9546 9606 31 9546 9606 9609 31 9543 9537 9546 56 9540 9537 9543 57 9540 9537 9546 56 9537 9546 9549 58 9534 9537 9540 61 9534 9537 9543 61 9705 9702 9708 1 9702 9708 9711 2 9699 9696 9702 31 9699 9696 9714 41 9696 9702 9705 31 9687 9684 9690 15 9678 9684 9687 15 9675 9672 9678 65 9669 9666 9672 68 9666 9672 9675 70 9663 9666 9669 72 9660 9657 9663 34 9660 9657 9702 33 9657 9702 9705 31 9654 9657 9660 39 9651 9648 9654 41 9651 9648 9696 31 9648 9696 9699 31 9645 9639 9648 56 9642 9639 9645 57 9642 9639 9648 56 9639 9648 9651 58 9636 9639 9642 61 9636 9639 9645 61 9807 9804 9810 1 9804 9810 9813 2 9801 9798 9804 31 9801 9798 9816 41 9798 9804 9807 31 9786 9783 9789 7 9780 9783 9786 9 9780 9783 9789 9 9777 9774 9780 10 9768 9774 9777 15 9759 9756 9762 50 9753 9756 9759 53 9750 9747 9753 34 9750 9747 9804 33 9747 9804 9807 31 9744 9747 9750 39 9741 9738 9744 41 9741 9738 9798 31 9738 9798 9801 31 9735 9729 9738 56 9732 9729 9735 57 9732 9729 9738 56 9729 9738 9741 58 9726 9729 9732 61 9726 9729 9735 61 9897 9894 9900 1 9894 9900 9903 2 9891 9888 9894 31 9891 9888 9906 41 9888 9894 9897 31 9879 9876 9882 15 9870 9876 9879 15 9867 9864 9870 65 9861 9858 9864 68 9858 9864 9867 70 9855 9858 9861 72 9852 9849 9855 34 9852 9849 9894 33 9849 9894 9897 31 9846 9849 9852 39 9843 9840 9846 41 9843 9840 9888 31 9840 9888 9891 31 9837 9831 9840 56 9834 9831 9837 57 9834 9831 9840 56 9831 9840 9843 58 9828 9831 9834 61 9828 9831 9837 61 9999 9996 10002 1 9996 10002 10005 2 9993 9990 9996 31 9993 9990 10008 41 9990 9996 9999 31 9978 9975 9981 7 9972 9975 9978 9 9972 9975 9981 9 9969 9966 9972 10 9960 9966 9969 15 9951 9948 9954 50 9945 9948 9951 53 9942 9939 9945 34 9942 9939 9996 33 9939 9996 9999 31 9936 9939 9942 39 9933 9930 9936 41 9933 9930 9990 31 9930 9990 9993 31 9927 9921 9930 56 9924 9921 9927 57 9924 9921 9930 56 9921 9930 9933 58 9918 9921 9924 61 9918 9921 9927 61 10089 10086 10092 1 10086 10092 10095 2 10083 10080 10086 31 10083 10080 10098 41 10080 10086 10089 31 10071 10068 10074 15 10062 10068 10071 15 10059 10056 10062 65 10053 10050 10056 68 10050 10056 10059 70 10047 10050 10053 72 10044 10041 10047 34 10044 10041 10086 33 10041 10086 10089 31 10038 10041 10044 39 10035 10032 10038 41 10035 10032 10080 31 10032 10080 10083 31 10029 10023 10032 56 10026 10023 10029 57 10026 10023 10032 56 10023 10032 10035 58 10020 10023 10026 61 10020 10023 10029 61 10191 10188 10194 1 10188 10194 10197 2 10185 10182 10188 31 10185 10182 10200 41 10182 10188 10191 31 10170 10167 10173 7 10164 10167 10170 9 10164 10167 10173 9 10161 10158 10164 10 10152 10158 10161 15 10143 10140 10146 50 10137 10140 10143 53 10134 10131 10137 34 10134 10131 10188 33 10131 10188 10191 31 10128 10131 10134 39 10125 10122 10128 41 10125 10122 10182 31 10122 10182 10185 31 10119 10113 10122 56 10116 10113 10119 57 10116 10113 10122 56 10113 10122 10125 58 10110 10113 10116 61 10110 10113 10119 61 10284 10281 10287 1 10281 10287 10290 2 10278 10275 10281 31 10278 10275 10293 41 10275 10281 10284 31 10260 10257 10263 7 10254 10257 10260 9 10254 10257 10263 9 10251 10248 10254 80 10245 10242 10248 83 10242 10248 10251 85 10239 10242 10245 87 10236 10233 10239 34 10236 10233 10281 33 10233 10281 10284 31 10230 10233 10236 39 10227 10224 10230 41 10227 10224 10275 31 10224 10275 10278 31 10221 10215 10224 56 10218 10215 10221 57 10218 10215 10224 56 10215 10224 10227 58 10212 10215 10218 61 10212 10215 10221 61 10377 10374 10380 1 10374 10380 10383 2 10371 10368 10374 31 10371 10368 10386 41 10368 10374 10377 31 10353 10350 10356 7 10347 10350 10353 9 10347 10350 10356 9 10344 10341 10347 80 10338 10335 10341 83 10335 10341 10344 85 10332 10335 10338 87 10329 10326 10332 34 10329 10326 10374 33 10326 10374 10377 31 10323 10326 10329 39 10320 10317 10323 41 10320 10317 10368 31 10317 10368 10371 31 10314 10308 10317 56 10311 10308 10314 57 10311 10308 10317 56 10308 10317 10320 58 10305 10308 10311 61 10305 10308 10314 61 10470 10467 10473 1 10467 10473 10476 2 10464 10461 10467 31 10464 10461 10479 41 10461 10467 10470 31 10446 10443 10449 7 10440 10443 10446 9 10440 10443 10449 9 10437 10434 10440 80 10431 10428 10434 83 10428 10434 10437 85 10425 10428 10431 87 10422 10419 10425 34 10422 10419 10467 33 10419 10467 10470 31 10416 10419 10422 39 10413 10410 10416 41 10413 10410 10461 31 10410 10461 10464 31 10407 10401 10410 56 10404 10401 10407 57 10404 10401 10410 56 10401 10410 10413 58 10398 10401 10404 61 10398 10401 10407 61 10569 10566 10572 1 10566 10572 10575 2 10563 10560 10566 31 10563 10560 10578 41 10560 10566 10569 31 10551 10548 10554 91 10545 10548 10551 91 10539 10536 10542 7 10533 10536 10539 9 10533 10536 10542 9 10524 10521 10527 99 10518 10521 10524 102 10515 10512 10518 34 10515 10512 10566 33 10512 10566 10569 31 10509 10512 10515 39 10506 10503 10509 41 10506 10503 10560 31 10503 10560 10563 31 10500 10494 10503 56 10497 10494 10500 57 10497 10494 10503 56 10494 10503 10506 58 10491 10494 10497 61 10491 10494 10500 61 10659 10656 10662 1 10656 10662 10665 2 10653 10650 10656 31 10653 10650 10668 41 10650 10656 10659 31 10641 10638 10644 15 10632 10638 10641 15 10629 10626 10632 65 10623 10620 10626 68 10620 10626 10629 70 10617 10620 10623 72 10614 10611 10617 34 10614 10611 10656 33 10611 10656 10659 31 10608 10611 10614 39 10605 10602 10608 41 10605 10602 10650 31 10602 10650 10653 31 10599 10593 10602 56 10596 10593 10599 57 10596 10593 10602 56 10593 10602 10605 58 10590 10593 10596 61 10590 10593 10599 61 10752 10749 10755 1 10749 10755 10758 2 10746 10743 10749 31 10746 10743 10761 41 10743 10749 10752 31 10728 10725 10731 7 10722 10725 10728 9 10722 10725 10731 9 10719 10716 10722 80 10713 10710 10716 83 10710 10716 10719 85 10707 10710 10713 87 10704 10701 10707 34 10704 10701 10749 33 10701 10749 10752 31 10698 10701 10704 39 10695 10692 10698 41 10695 10692 10743 31 10692 10743 10746 31 10689 10683 10692 56 10686 10683 10689 57 10686 10683 10692 56 10683 10692 10695 58 10680 10683 10686 61 10680 10683 10689 61 10842 10839 10845 1 10839 10845 10848 2 10836 10833 10839 31 10836 10833 10851 41 10833 10839 10842 31 10824 10821 10827 15 10815 10821 10824 15 10812 10809 10815 65 10806 10803 10809 68 10803 10809 10812 70 10800 10803 10806 72 10797 10794 10800 34 10797 10794 10839 33 10794 10839 10842 31 10791 10794 10797 39 10788 10785 10791 41 10788 10785 10833 31 10785 10833 10836 31 10782 10776 10785 56 10779 10776 10782 57 10779 10776 10785 56 10776 10785 10788 58 10773 10776 10779 61 10773 10776 10782 61 10935 10932 10938 1 10932 10938 10941 2 10929 10926 10932 31 10929 10926 10944 41 10926 10932 10935 31 10911 10908 10914 7 10905 10908 10911 9 10905 10908 10914 9 10902 10899 10905 80 10896 10893 10899 83 10893 10899 10902 85 10890 10893 10896 87 10887 10884 10890 34 10887 10884 10932 33 10884 10932 10935 31 10881 10884 10887 39 10878 10875 10881 41 10878 10875 10926 31 10875 10926 10929 31 10872 10866 10875 56 10869 10866 10872 57 10869 10866 10875 56 10866 10875 10878 58 10863 10866 10869 61 10863 10866 10872 61 11037 11034 11040 1 11034 11040 11043 2 11031 11028 11034 31 11031 11028 11046 41 11028 11034 11037 31 11016 11013 11019 7 11010 11013 11016 9 11010 11013 11019 9 11007 11004 11010 10 10998 11004 11007 15 10989 10986 10992 50 10983 10986 10989 53 10980 10977 10983 34 10980 10977 11034 33 10977 11034 11037 31 10974 10977 10980 39 10971 10968 10974 41 10971 10968 11028 31 10968 11028 11031 31 10965 10959 10968 56 10962 10959 10965 57 10962 10959 10968 56 10959 10968 10971 58 10956 10959 10962 61 10956 10959 10965 61 11136 11133 11139 1 11133 11139 11142 2 11130 11127 11133 31 11130 11127 11145 41 11127 11133 11136 31 11118 11115 11121 91 11112 11115 11118 91 11106 11103 11109 7 11100 11103 11106 9 11100 11103 11109 9 11091 11088 11094 99 11085 11088 11091 102 11082 11079 11085 34 11082 11079 11133 33 11079 11133 11136 31 11076 11079 11082 39 11073 11070 11076 41 11073 11070 11127 31 11070 11127 11130 31 11067 11061 11070 56 11064 11061 11067 57 11064 11061 11070 56 11061 11070 11073 58 11058 11061 11064 61 11058 11061 11067 61 11238 11235 11241 1 11235 11241 11244 2 11232 11229 11235 31 11232 11229 11247 41 11229 11235 11238 31 11217 11214 11220 7 11211 11214 11217 9 11211 11214 11220 9 11208 11205 11211 10 11199 11205 11208 15 11190 11187 11193 50 11184 11187 11190 53 11181 11178 11184 34 11181 11178 11235 33 11178 11235 11238 31 11175 11178 11181 39 11172 11169 11175 41 11172 11169 11229 31 11169 11229 11232 31 11166 11160 11169 56 11163 11160 11166 57 11163 11160 11169 56 11160 11169 11172 58 11157 11160 11163 61 11157 11160 11166 61 11337 11334 11340 1 11334 11340 11343 2 11331 11328 11334 31 11331 11328 11346 41 11328 11334 11337 31 11319 11316 11322 91 11313 11316 11319 91 11307 11304 11310 7 11301 11304 11307 9 11301 11304 11310 9 11292 11289 11295 99 11286 11289 11292 102 11283 11280 11286 34 11283 11280 11334 33 11280 11334 11337 31 11277 11280 11283 39 11274 11271 11277 41 11274 11271 11328 31 11271 11328 11331 31 11268 11262 11271 56 11265 11262 11268 57 11265 11262 11271 56 11262 11271 11274 58 11259 11262 11265 61 11259 11262 11268 61 11439 11436 11442 1 11436 11442 11445 2 11433 11430 11436 31 11433 11430 11448 41 11430 11436 11439 31 11418 11415 11421 7 11412 11415 11418 9 11412 11415 11421 9 11409 11406 11412 10 11400 11406 11409 15 11391 11388 11394 50 11385 11388 11391 53 11382 11379 11385 34 11382 11379 11436 33 11379 11436 11439 31 11376 11379 11382 39 11373 11370 11376 41 11373 11370 11430 31 11370 11430 11433 31 11367 11361 11370 56 11364 11361 11367 57 11364 11361 11370 56 11361 11370 11373 58 11358 11361 11364 61 11358 11361 11367 61 11538 11535 11541 1 11535 11541 11544 2 11532 11529 11535 31 11532 11529 11547 41 11529 11535 11538 31 11520 11517 11523 91 11514 11517 11520 91 11508 11505 11511 7 11502 11505 11508 9 11502 11505 11511 9 11493 11490 11496 99 11487 11490 11493 102 11484 11481 11487 34 11484 11481 11535 33 11481 11535 11538 31 11478 11481 11484 39 11475 11472 11478 41 11475 11472 11529 31 11472 11529 11532 31 11469 11463 11472 56 11466 11463 11469 57 11466 11463 11472 56 11463 11472 11475 58 11460 11463 11466 61 11460 11463 11469 61 11640 11637 11643 1 11637 11643 11646 2 11634 11631 11637 31 11634 11631 11649 41 11631 11637 11640 31 11619 11616 11622 7 11613 11616 11619 9 11613 11616 11622 9 11610 11607 11613 10 11601 11607 11610 15 11592 11589 11595 50 11586 11589 11592 53 11583 11580 11586 34 11583 11580 11637 33 11580 11637 11640 31 11577 11580 11583 39 11574 11571 11577 41 11574 11571 11631 31 11571 11631 11634 31 11568 11562 11571 56 11565 11562 11568 57 11565 11562 11571 56 11562 11571 11574 58 11559 11562 11565 61 11559 11562 11568 61 11739 11736 11742 1 11736 11742 11745 2 11733 11730 11736 31 11733 11730 11748 41 11730 11736 11739 31 11721 11718 11724 91 11715 11718 11721 91 11709 11706 11712 7 11703 11706 11709 9 11703 11706 11712 9 11694 11691 11697 99 11688 11691 11694 102 11685 11682 11688 34 11685 11682 11736 33 11682 11736 11739 31 11679 11682 11685 39 11676 11673 11679 41 11676 11673 11730 31 11673 11730 11733 31 11670 11664 11673 56 11667 11664 11670 57 11667 11664 11673 56 11664 11673 11676 58 11661 11664 11667 61 11661 11664 11670 61 11829 11826 11832 1 11826 11832 11835 2 11823 11820 11826 31 11823 11820 11838 41 11820 11826 11829 31 11811 11808 11814 15 11802 11808 11811 15 11799 11796 11802 65 11793 11790 11796 68 11790 11796 11799 70 11787 11790 11793 72 11784 11781 11787 34 11784 11781 11826 33 11781 11826 11829 31 11778 11781 11784 39 11775 11772 11778 41 11775 11772 11820 31 11772 11820 11823 31 11769 11763 11772 56 11766 11763 11769 57 11766 11763 11772 56 11763 11772 11775 58 11760 11763 11766 61 11760 11763 11769 61 11931 11928 11934 1 11928 11934 11937 2 11925 11922 11928 31 11925 11922 11940 41 11922 11928 11931 31 11910 11907 11913 7 11904 11907 11910 9 11904 11907 11913 9 11901 11898 11904 10 11892 11898 11901 15 11883 11880 11886 50 11877 11880 11883 53 11874 11871 11877 34 11874 11871 11928 33 11871 11928 11931 31 11868 11871 11874 39 11865 11862 11868 41 11865 11862 11922 31 11862 11922 11925 31 11859 11853 11862 56 11856 11853 11859 57 11856 11853 11862 56 11853 11862 11865 58 11850 11853 11856 61 11850 11853 11859 61 12033 12030 12036 1 12030 12036 12039 2 12027 12024 12030 31 12027 12024 12042 41 12024 12030 12033 31 12012 12009 12015 7 12006 12009 12012 9 12006 12009 12015 9 12003 12000 12006 10 11994 12000 12003 15 11985 11982 11988 50 11979 11982 11985 53 11976 11973 11979 34 11976 11973 12030 33 11973 12030 12033 31 11970 11973 11976 39 11967 11964 11970 41 11967 11964 12024 31 11964 12024 12027 31 11961 11955 11964 56 11958 11955 11961 57 11958 11955 11964 56 11955 11964 11967 58 11952 11955 11958 61 11952 11955 11961 61 12135 12132 12138 1 12132 12138 12141 2 12129 12126 12132 31 12129 12126 12144 41 12126 12132 12135 31 12114 12111 12117 7 12108 12111 12114 9 12108 12111 12117 9 12105 12102 12108 10 12096 12102 12105 15 12087 12084 12090 50 12081 12084 12087 53 12078 12075 12081 34 12078 12075 12132 33 12075 12132 12135 31 12072 12075 12078 39 12069 12066 12072 41 12069 12066 12126 31 12066 12126 12129 31 12063 12057 12066 56 12060 12057 12063 57 12060 12057 12066 56 12057 12066 12069 58 12054 12057 12060 61 12054 12057 12063 61 12225 12222 12228 1 12222 12228 12231 2 12219 12216 12222 31 12219 12216 12234 41 12216 12222 12225 31 12207 12204 12210 15 12198 12204 12207 15 12195 12192 12198 65 12189 12186 12192 68 12186 12192 12195 70 12183 12186 12189 72 12180 12177 12183 34 12180 12177 12222 33 12177 12222 12225 31 12174 12177 12180 39 12171 12168 12174 41 12171 12168 12216 31 12168 12216 12219 31 12165 12159 12168 56 12162 12159 12165 57 12162 12159 12168 56 12159 12168 12171 58 12156 12159 12162 61 12156 12159 12165 61 12327 12324 12330 1 12324 12330 12333 2 12321 12318 12324 31 12321 12318 12336 41 12318 12324 12327 31 12306 12303 12309 7 12300 12303 12306 9 12300 12303 12309 9 12297 12294 12300 10 12288 12294 12297 15 12279 12276 12282 50 12273 12276 12279 53 12270 12267 12273 34 12270 12267 12324 33 12267 12324 12327 31 12264 12267 12270 39 12261 12258 12264 41 12261 12258 12318 31 12258 12318 12321 31 12255 12249 12258 56 12252 12249 12255 57 12252 12249 12258 56 12249 12258 12261 58 12246 12249 12252 61 12246 12249 12255 61 12420 12417 12423 1 12417 12423 12426 2 12414 12411 12417 31 12414 12411 12429 41 12411 12417 12420 31 12396 12393 12399 7 12390 12393 12396 9 12390 12393 12399 9 12387 12384 12390 80 12381 12378 12384 83 12378 12384 12387 85 12375 12378 12381 87 12372 12369 12375 34 12372 12369 12417 33 12369 12417 12420 31 12366 12369 12372 39 12363 12360 12366 41 12363 12360 12411 31 12360 12411 12414 31 12357 12351 12360 56 12354 12351 12357 57 12354 12351 12360 56 12351 12360 12363 58 12348 12351 12354 61 12348 12351 12357 61 12522 12519 12525 1 12519 12525 12528 2 12516 12513 12519 31 12516 12513 12531 1 12513 12519 12522 31 12513 12531 12534 2 12501 12498 12504 7 12495 12498 12501 9 12495 12498 12504 9 12492 12489 12495 10 12483 12489 12492 15 12474 12471 12477 50 12468 12471 12474 53 12465 12462 12468 34 12465 12462 12519 33 12462 12519 12522 31 12459 12462 12465 39 12456 12453 12459 41 12456 12453 12513 31 12453 12513 12516 31 12450 12444 12453 56 12447 12444 12450 57 12447 12444 12453 56 12444 12453 12456 58 12441 12444 12447 61 12441 12444 12450 61 %FLAG ANGLES_WITHOUT_HYDROGEN %FORMAT(10I8) 123 120 126 1 120 126 129 2 105 99 108 3 102 99 105 3 102 99 108 3 99 96 114 4 96 99 102 5 96 99 105 5 96 99 108 5 96 114 117 6 90 87 93 7 87 84 111 8 84 87 90 9 84 87 93 9 81 78 84 10 78 84 87 11 78 84 111 12 75 72 78 13 72 69 96 14 72 78 81 15 72 78 84 16 69 66 111 17 69 72 75 18 69 72 78 19 69 96 99 20 69 96 114 21 66 63 114 22 66 69 72 23 66 69 96 24 66 111 84 25 63 66 69 26 63 66 111 27 63 114 96 28 63 114 117 29 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3 2739 2736 2784 2778 13 2739 2736 2784 2787 13 2739 2736 2784 2790 13 2736 2742 2745 2748 47 2736 2784 2778 2781 13 2736 2784 2790 2793 14 2736 2784 -2790 2793 15 2733 2727 2778 2781 14 2733 2727 -2778 2781 16 2733 2736 2784 2787 14 2733 2736 -2784 2787 16 2730 2727 2733 2736 22 2730 2727 2778 2781 13 2730 2727 2778 2784 13 2730 2727 2778 2796 14 2730 2727 -2778 2796 16 2727 2733 2736 2739 22 2727 2778 2784 2787 13 2724 2718 2727 2730 13 2724 2718 2727 2733 14 2724 2718 -2727 2733 16 2724 2718 2727 2778 13 2721 2718 2727 2730 13 2721 2718 2727 2733 14 2721 2718 -2727 2733 16 2721 2718 2727 2778 13 2718 2727 2778 2781 13 2715 2718 2727 2730 14 2715 2718 -2727 2730 16 2706 2715 2718 2721 22 2706 2715 2718 2724 22 2889 2886 2880 2898 14 2889 2886 -2880 2898 16 2889 2886 2892 2895 1 2883 2880 2886 2889 13 2883 2880 2886 2892 14 2883 2880 -2886 2892 16 2883 2880 2898 2901 29 2880 2886 2892 2895 14 2880 2886 -2892 2895 15 2871 2865 2862 2874 6 2868 2865 2862 2874 6 2859 2856 2862 2865 7 2859 2856 2862 2874 7 2856 2862 2865 2868 6 2856 2862 2865 2871 6 2853 2850 2856 2859 9 2847 2850 2856 2859 9 2841 2838 2835 2877 11 2841 2838 2844 2847 36 2835 2829 2886 2889 13 2832 2829 2835 2838 3 2832 2829 2835 2877 3 2832 2829 2886 2880 13 2832 2829 2886 2889 13 2832 2829 2886 2892 13 2829 2835 2838 2841 11 2829 2886 2880 2883 13 2829 2886 2892 2895 14 2829 2886 -2892 2895 15 2826 2820 2880 2883 14 2826 2820 -2880 2883 16 2826 2829 2886 2889 14 2826 2829 -2886 2889 16 2823 2820 2826 2829 22 2823 2820 2880 2883 13 2823 2820 2880 2886 13 2823 2820 2880 2898 14 2823 2820 -2880 2898 16 2820 2826 2829 2832 22 2820 2880 2886 2889 13 2817 2811 2820 2823 13 2817 2811 2820 2826 14 2817 2811 -2820 2826 16 2817 2811 2820 2880 13 2814 2811 2820 2823 13 2814 2811 2820 2826 14 2814 2811 -2820 2826 16 2814 2811 2820 2880 13 2811 2820 2880 2883 13 2808 2811 2820 2823 14 2808 2811 -2820 2823 16 2799 2808 2811 2814 22 2799 2808 2811 2817 22 2991 2988 2982 3000 14 2991 2988 -2982 3000 16 2991 2988 2994 2997 1 2985 2982 2988 2991 13 2985 2982 2988 2994 14 2985 2982 -2988 2994 16 2985 2982 3000 3003 29 2982 2988 2994 2997 14 2982 2988 -2994 2997 15 2973 2967 2964 2976 6 2970 2967 2964 2976 6 2961 2958 2964 2967 7 2961 2958 2964 2976 7 2958 2964 2967 2970 6 2958 2964 2967 2973 6 2955 2952 2958 2961 9 2949 2952 2958 2961 9 2943 2940 2937 2979 11 2943 2940 2946 2949 36 2937 2931 2988 2991 13 2934 2931 2937 2940 3 2934 2931 2937 2979 3 2934 2931 2988 2982 13 2934 2931 2988 2991 13 2934 2931 2988 2994 13 2931 2937 2940 2943 11 2931 2988 2982 2985 13 2931 2988 2994 2997 14 2931 2988 -2994 2997 15 2928 2922 2982 2985 14 2928 2922 -2982 2985 16 2928 2931 2988 2991 14 2928 2931 -2988 2991 16 2925 2922 2928 2931 22 2925 2922 2982 2985 13 2925 2922 2982 2988 13 2925 2922 2982 3000 14 2925 2922 -2982 3000 16 2922 2928 2931 2934 22 2922 2982 2988 2991 13 2919 2913 2922 2925 13 2919 2913 2922 2928 14 2919 2913 -2922 2928 16 2919 2913 2922 2982 13 2916 2913 2922 2925 13 2916 2913 2922 2928 14 2916 2913 -2922 2928 16 2916 2913 2922 2982 13 2913 2922 2982 2985 13 2910 2913 2922 2925 14 2910 2913 -2922 2925 16 2901 2910 2913 2916 22 2901 2910 2913 2919 22 3093 3090 3084 3102 14 3093 3090 -3084 3102 16 3093 3090 3096 3099 1 3087 3084 3090 3093 13 3087 3084 3090 3096 14 3087 3084 -3090 3096 16 3087 3084 3102 3105 29 3084 3090 3096 3099 14 3084 3090 -3096 3099 15 3075 3069 3066 3078 6 3072 3069 3066 3078 6 3063 3060 3066 3069 7 3063 3060 3066 3078 7 3060 3066 3069 3072 6 3060 3066 3069 3075 6 3057 3054 3060 3063 9 3051 3054 3060 3063 9 3045 3042 3039 3081 11 3045 3042 3048 3051 36 3039 3033 3090 3093 13 3036 3033 3039 3042 3 3036 3033 3039 3081 3 3036 3033 3090 3084 13 3036 3033 3090 3093 13 3036 3033 3090 3096 13 3033 3039 3042 3045 11 3033 3090 3084 3087 13 3033 3090 3096 3099 14 3033 3090 -3096 3099 15 3030 3024 3084 3087 14 3030 3024 -3084 3087 16 3030 3033 3090 3093 14 3030 3033 -3090 3093 16 3027 3024 3030 3033 22 3027 3024 3084 3087 13 3027 3024 3084 3090 13 3027 3024 3084 3102 14 3027 3024 -3084 3102 16 3024 3030 3033 3036 22 3024 3084 3090 3093 13 3021 3015 3024 3027 13 3021 3015 3024 3030 14 3021 3015 -3024 3030 16 3021 3015 3024 3084 13 3018 3015 3024 3027 13 3018 3015 3024 3030 14 3018 3015 -3024 3030 16 3018 3015 3024 3084 13 3015 3024 3084 3087 13 3012 3015 3024 3027 14 3012 3015 -3024 3027 16 3003 3012 3015 3018 22 3003 3012 3015 3021 22 3192 3189 3183 3201 14 3192 3189 -3183 3201 16 3192 3189 3195 3198 1 3186 3183 3189 3192 13 3186 3183 3189 3195 14 3186 3183 -3189 3195 16 3186 3183 3201 3204 29 3183 3189 3195 3198 14 3183 3189 -3195 3198 15 3174 3171 3177 3180 60 3165 3159 3156 3168 6 3162 3159 3156 3168 6 3156 3168 3171 3174 60 3153 3156 3159 3162 6 3153 3156 3159 3165 6 3147 3144 3141 3180 11 3147 3144 3150 3153 36 3141 3135 3189 3192 13 3138 3135 3141 3144 3 3138 3135 3141 3180 3 3138 3135 3189 3183 13 3138 3135 3189 3192 13 3138 3135 3189 3195 13 3135 3141 3144 3147 11 3135 3189 3183 3186 13 3135 3189 3195 3198 14 3135 3189 -3195 3198 15 3132 3126 3183 3186 14 3132 3126 -3183 3186 16 3132 3135 3189 3192 14 3132 3135 -3189 3192 16 3129 3126 3132 3135 22 3129 3126 3183 3186 13 3129 3126 3183 3189 13 3129 3126 3183 3201 14 3129 3126 -3183 3201 16 3126 3132 3135 3138 22 3126 3183 3189 3192 13 3123 3117 3126 3129 13 3123 3117 3126 3132 14 3123 3117 -3126 3132 16 3123 3117 3126 3183 13 3120 3117 3126 3129 13 3120 3117 3126 3132 14 3120 3117 -3126 3132 16 3120 3117 3126 3183 13 3117 3126 3183 3186 13 3114 3117 3126 3129 14 3114 3117 -3126 3129 16 3105 3114 3117 3120 22 3105 3114 3117 3123 22 3294 3291 3285 3303 14 3294 3291 -3285 3303 16 3294 3291 3297 3300 1 3288 3285 3291 3294 13 3288 3285 3291 3297 14 3288 3285 -3291 3297 16 3288 3285 3303 3306 29 3285 3291 3297 3300 14 3285 3291 -3297 3300 15 3276 3270 3267 3279 6 3273 3270 3267 3279 6 3264 3261 3267 3270 7 3264 3261 3267 3279 7 3261 3267 3270 3273 6 3261 3267 3270 3276 6 3258 3255 3261 3264 9 3252 3255 3261 3264 9 3246 3243 3240 3282 11 3246 3243 3249 3252 36 3240 3234 3291 3294 13 3237 3234 3240 3243 3 3237 3234 3240 3282 3 3237 3234 3291 3285 13 3237 3234 3291 3294 13 3237 3234 3291 3297 13 3234 3240 3243 3246 11 3234 3291 3285 3288 13 3234 3291 3297 3300 14 3234 3291 -3297 3300 15 3231 3225 3285 3288 14 3231 3225 -3285 3288 16 3231 3234 3291 3294 14 3231 3234 -3291 3294 16 3228 3225 3231 3234 22 3228 3225 3285 3288 13 3228 3225 3285 3291 13 3228 3225 3285 3303 14 3228 3225 -3285 3303 16 3225 3231 3234 3237 22 3225 3285 3291 3294 13 3222 3216 3225 3228 13 3222 3216 3225 3231 14 3222 3216 -3225 3231 16 3222 3216 3225 3285 13 3219 3216 3225 3228 13 3219 3216 3225 3231 14 3219 3216 -3225 3231 16 3219 3216 3225 3285 13 3216 3225 3285 3288 13 3213 3216 3225 3228 14 3213 3216 -3225 3228 16 3204 3213 3216 3219 22 3204 3213 3216 3222 22 3387 3384 3378 3396 14 3387 3384 -3378 3396 16 3387 3384 3390 3393 1 3381 3378 3384 3387 13 3381 3378 3384 3390 14 3381 3378 -3384 3390 16 3381 3378 3396 3399 29 3378 3384 3390 3393 14 3378 3384 -3390 3393 15 3366 3360 3357 3369 6 3363 3360 3357 3369 6 3354 3351 3357 3360 37 3354 3351 3357 3369 37 3351 3357 3360 3363 6 3351 3357 3360 3366 6 3348 3345 3342 3372 47 3348 3345 3351 3354 48 3348 3345 3351 3357 48 3342 3336 3384 3387 13 3342 3345 3351 3354 48 3339 3336 3342 3345 3 3339 3336 3342 3372 3 3339 3336 3384 3378 13 3339 3336 3384 3387 13 3339 3336 3384 3390 13 3336 3342 3345 3348 47 3336 3384 3378 3381 13 3336 3384 3390 3393 14 3336 3384 -3390 3393 15 3333 3327 3378 3381 14 3333 3327 -3378 3381 16 3333 3336 3384 3387 14 3333 3336 -3384 3387 16 3330 3327 3333 3336 22 3330 3327 3378 3381 13 3330 3327 3378 3384 13 3330 3327 3378 3396 14 3330 3327 -3378 3396 16 3327 3333 3336 3339 22 3327 3378 3384 3387 13 3324 3318 3327 3330 13 3324 3318 3327 3333 14 3324 3318 -3327 3333 16 3324 3318 3327 3378 13 3321 3318 3327 3330 13 3321 3318 3327 3333 14 3321 3318 -3327 3333 16 3321 3318 3327 3378 13 3318 3327 3378 3381 13 3315 3318 3327 3330 14 3315 3318 -3327 3330 16 3306 3315 3318 3321 22 3306 3315 3318 3324 22 3477 3474 3468 3486 14 3477 3474 -3468 3486 16 3477 3474 3480 3483 1 3471 3468 3474 3477 13 3471 3468 3474 3480 14 3471 3468 -3474 3480 16 3471 3468 3486 3489 29 3468 3474 3480 3483 14 3468 3474 -3480 3483 15 3459 3456 3462 3465 9 3453 3450 3456 3459 9 3447 3444 3450 3453 46 3447 3444 3450 3456 46 3444 3450 3456 3459 9 3441 3438 3435 3462 47 3441 3438 3444 3447 48 3441 3438 3444 3450 48 3435 3429 3474 3477 13 3435 3438 3444 3447 48 3435 3462 3456 3459 9 3432 3429 3435 3438 3 3432 3429 3435 3462 3 3432 3429 3474 3468 13 3432 3429 3474 3477 13 3432 3429 3474 3480 13 3429 3435 3438 3441 47 3429 3474 3468 3471 13 3429 3474 3480 3483 14 3429 3474 -3480 3483 15 3426 3420 3468 3471 14 3426 3420 -3468 3471 16 3426 3429 3474 3477 14 3426 3429 -3474 3477 16 3423 3420 3426 3429 22 3423 3420 3468 3471 13 3423 3420 3468 3474 13 3423 3420 3468 3486 14 3423 3420 -3468 3486 16 3420 3426 3429 3432 22 3420 3468 3474 3477 13 3417 3411 3420 3423 13 3417 3411 3420 3426 14 3417 3411 -3420 3426 16 3417 3411 3420 3468 13 3414 3411 3420 3423 13 3414 3411 3420 3426 14 3414 3411 -3420 3426 16 3414 3411 3420 3468 13 3411 3420 3468 3471 13 3408 3411 3420 3423 14 3408 3411 -3420 3423 16 3399 3408 3411 3414 22 3399 3408 3411 3417 22 3570 3567 3561 3579 14 3570 3567 -3561 3579 16 3570 3567 3573 3576 1 3564 3561 3567 3570 13 3564 3561 3567 3573 14 3564 3561 -3567 3573 16 3564 3561 3579 3582 29 3561 3567 3573 3576 14 3561 3567 -3573 3576 15 3549 3543 3540 3552 6 3546 3543 3540 3552 6 3537 3534 3540 3543 37 3537 3534 3540 3552 37 3534 3540 3543 3546 6 3534 3540 3543 3549 6 3531 3528 3525 3555 47 3531 3528 3534 3537 48 3531 3528 3534 3540 48 3525 3519 3567 3570 13 3525 3528 3534 3537 48 3522 3519 3525 3528 3 3522 3519 3525 3555 3 3522 3519 3567 3561 13 3522 3519 3567 3570 13 3522 3519 3567 3573 13 3519 3525 3528 3531 47 3519 3567 3561 3564 13 3519 3567 3573 3576 14 3519 3567 -3573 3576 15 3516 3510 3561 3564 14 3516 3510 -3561 3564 16 3516 3519 3567 3570 14 3516 3519 -3567 3570 16 3513 3510 3516 3519 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3612 3657 3663 13 3612 3618 3621 3624 47 3612 3657 3651 3654 13 3612 3657 3663 3666 14 3612 3657 -3663 3666 15 3609 3603 3651 3654 14 3609 3603 -3651 3654 16 3609 3612 3657 3660 14 3609 3612 -3657 3660 16 3606 3603 3609 3612 22 3606 3603 3651 3654 13 3606 3603 3651 3657 13 3606 3603 3651 3669 14 3606 3603 -3651 3669 16 3603 3609 3612 3615 22 3603 3651 3657 3660 13 3600 3594 3603 3606 13 3600 3594 3603 3609 14 3600 3594 -3603 3609 16 3600 3594 3603 3651 13 3597 3594 3603 3606 13 3597 3594 3603 3609 14 3597 3594 -3603 3609 16 3597 3594 3603 3651 13 3594 3603 3651 3654 13 3591 3594 3603 3606 14 3591 3594 -3603 3606 16 3582 3591 3594 3597 22 3582 3591 3594 3600 22 3753 3750 3744 3762 14 3753 3750 -3744 3762 16 3753 3750 3756 3759 1 3747 3744 3750 3753 13 3747 3744 3750 3756 14 3747 3744 -3750 3756 16 3747 3744 3762 3765 29 3744 3750 3756 3759 14 3744 3750 -3756 3759 15 3732 3726 3723 3735 6 3729 3726 3723 3735 6 3720 3717 3723 3726 37 3720 3717 3723 3735 37 3717 3723 3726 3729 6 3717 3723 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4515 4518 13 4473 4521 4527 4530 14 4473 4521 -4527 4530 15 4470 4464 4515 4518 14 4470 4464 -4515 4518 16 4470 4473 4521 4524 14 4470 4473 -4521 4524 16 4467 4464 4470 4473 22 4467 4464 4515 4518 13 4467 4464 4515 4521 13 4467 4464 4515 4533 14 4467 4464 -4515 4533 16 4464 4470 4473 4476 22 4464 4515 4521 4524 13 4461 4455 4464 4467 13 4461 4455 4464 4470 14 4461 4455 -4464 4470 16 4461 4455 4464 4515 13 4458 4455 4464 4467 13 4458 4455 4464 4470 14 4458 4455 -4464 4470 16 4458 4455 4464 4515 13 4455 4464 4515 4518 13 4452 4455 4464 4467 14 4452 4455 -4464 4467 16 4443 4452 4455 4458 22 4443 4452 4455 4461 22 4623 4620 4614 4632 14 4623 4620 -4614 4632 16 4623 4620 4626 4629 1 4617 4614 4620 4623 13 4617 4614 4620 4626 14 4617 4614 -4620 4626 16 4617 4614 4632 4635 29 4614 4620 4626 4629 14 4614 4620 -4626 4629 15 4605 4602 4608 4611 60 4596 4590 4587 4599 6 4593 4590 4587 4599 6 4587 4599 4602 4605 60 4584 4587 4590 4593 6 4584 4587 4590 4596 6 4578 4575 4572 4611 11 4578 4575 4581 4584 36 4572 4566 4620 4623 13 4569 4566 4572 4575 3 4569 4566 4572 4611 3 4569 4566 4620 4614 13 4569 4566 4620 4623 13 4569 4566 4620 4626 13 4566 4572 4575 4578 11 4566 4620 4614 4617 13 4566 4620 4626 4629 14 4566 4620 -4626 4629 15 4563 4557 4614 4617 14 4563 4557 -4614 4617 16 4563 4566 4620 4623 14 4563 4566 -4620 4623 16 4560 4557 4563 4566 22 4560 4557 4614 4617 13 4560 4557 4614 4620 13 4560 4557 4614 4632 14 4560 4557 -4614 4632 16 4557 4563 4566 4569 22 4557 4614 4620 4623 13 4554 4548 4557 4560 13 4554 4548 4557 4563 14 4554 4548 -4557 4563 16 4554 4548 4557 4614 13 4551 4548 4557 4560 13 4551 4548 4557 4563 14 4551 4548 -4557 4563 16 4551 4548 4557 4614 13 4548 4557 4614 4617 13 4545 4548 4557 4560 14 4545 4548 -4557 4560 16 4536 4545 4548 4551 22 4536 4545 4548 4554 22 4722 4719 4713 4731 14 4722 4719 -4713 4731 16 4722 4719 4725 4728 1 4716 4713 4719 4722 13 4716 4713 4719 4725 14 4716 4713 -4719 4725 16 4716 4713 4731 4734 29 4713 4719 4725 4728 14 4713 4719 -4725 4728 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4821 -4815 4833 16 4824 4821 4827 4830 1 4818 4815 4821 4824 13 4818 4815 4821 4827 14 4818 4815 -4821 4827 16 4818 4815 4833 4836 29 4815 4821 4827 4830 14 4815 4821 -4827 4830 15 4806 4800 4797 4809 6 4803 4800 4797 4809 6 4794 4791 4797 4800 7 4794 4791 4797 4809 7 4791 4797 4800 4803 6 4791 4797 4800 4806 6 4788 4785 4791 4794 9 4782 4785 4791 4794 9 4776 4773 4770 4812 11 4776 4773 4779 4782 36 4770 4764 4821 4824 13 4767 4764 4770 4773 3 4767 4764 4770 4812 3 4767 4764 4821 4815 13 4767 4764 4821 4824 13 4767 4764 4821 4827 13 4764 4770 4773 4776 11 4764 4821 4815 4818 13 4764 4821 4827 4830 14 4764 4821 -4827 4830 15 4761 4755 4815 4818 14 4761 4755 -4815 4818 16 4761 4764 4821 4824 14 4761 4764 -4821 4824 16 4758 4755 4761 4764 22 4758 4755 4815 4818 13 4758 4755 4815 4821 13 4758 4755 4815 4833 14 4758 4755 -4815 4833 16 4755 4761 4764 4767 22 4755 4815 4821 4824 13 4752 4746 4755 4758 13 4752 4746 4755 4761 14 4752 4746 -4755 4761 16 4752 4746 4755 4815 13 4749 4746 4755 4758 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5070 5067 5073 5076 3 5070 5067 5073 5112 3 5070 5067 5121 5115 13 5070 5067 5121 5124 13 5070 5067 5121 5127 13 5067 5073 5076 5079 11 5067 5121 5115 5118 13 5067 5121 5127 5130 14 5067 5121 -5127 5130 15 5064 5058 5115 5118 14 5064 5058 -5115 5118 16 5064 5067 5121 5124 14 5064 5067 -5121 5124 16 5061 5058 5064 5067 22 5061 5058 5115 5118 13 5061 5058 5115 5121 13 5061 5058 5115 5133 14 5061 5058 -5115 5133 16 5058 5064 5067 5070 22 5058 5115 5121 5124 13 5055 5049 5058 5061 13 5055 5049 5058 5064 14 5055 5049 -5058 5064 16 5055 5049 5058 5115 13 5052 5049 5058 5061 13 5052 5049 5058 5064 14 5052 5049 -5058 5064 16 5052 5049 5058 5115 13 5049 5058 5115 5118 13 5046 5049 5058 5061 14 5046 5049 -5058 5061 16 5037 5046 5049 5052 22 5037 5046 5049 5055 22 5217 5214 5208 5226 14 5217 5214 -5208 5226 16 5217 5214 5220 5223 1 5211 5208 5214 5217 13 5211 5208 5214 5220 14 5211 5208 -5214 5220 16 5211 5208 5226 5229 29 5208 5214 5220 5223 14 5208 5214 -5220 5223 15 5196 5190 5187 5199 6 5193 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4161 4162 4163 4164 4170 4171 4162 4163 4164 4165 4166 4170 4171 4163 4164 4165 4166 4167 4170 4171 4164 4165 4166 4171 4165 4166 4167 4168 4169 4170 4171 4166 4167 4170 4167 4168 4169 4170 4171 4168 4169 4170 4171 4169 4170 4170 4171 4174 4173 4174 4175 4176 4177 4178 4179 4174 4175 4176 4178 4179 4175 4176 4177 4178 4179 4176 4177 4178 4177 4178 0 4179 0 %FLAG HBOND_ACOEF %FORMAT(5E16.8) %FLAG HBOND_BCOEF %FORMAT(5E16.8) %FLAG HBCUT %FORMAT(5E16.8) %FLAG AMBER_ATOM_TYPE %FORMAT(20a4) O2 P O2 OS OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 CT H1 OH HO N* CB CB C O NA H CA N2 H H NA CT H1 H1 H1 NC CK H5 CT H1 OH HO P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* CP H5 NB CB C O NA H CA N2 H H NC CB CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* CS H4 CS HA C O NA H C O CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* C4 H4 C4 HA CA N2 H H NC C O CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* CS H4 CS HA C O NA H C O CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* C4 H4 C4 HA CA N2 H H NC C O CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* CS H4 CS HA C O NA H C O CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* C4 H4 C4 HA CA N2 H H NC C O CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* CS H4 CS HA C O NA H C O CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* CS H4 CS HA C O NA H C O CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* CP H5 NB CB C O NA H CA N2 H H NC CB CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* CS H4 CS HA C O NA H C O CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* CS H4 CS HA C O NA H C O CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* C5 H5 NB CB CA N2 H H NC CQ H5 NC CB CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* CP H5 NB CB C O NA H CA N2 H H NC CB CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* C5 H5 NB CB CA N2 H H NC CQ H5 NC CB CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* C4 H4 C4 HA CA N2 H H NC C O CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* C4 H4 C4 HA CA N2 H H NC C O CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* C5 H5 NB CB CA N2 H H NC CQ H5 NC CB CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* CP H5 NB CB C O NA H CA N2 H H NC CB CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* CP H5 NB CB C O NA H CA N2 H H NC CB CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* CS H4 CS HA C O NA H C O CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* C4 H4 C4 HA CA N2 H H NC C O CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* CP H5 NB CB C O NA H CA N2 H H NC CB CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* C5 H5 NB CB CA N2 H H NC CQ H5 NC CB CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* CP H5 NB CB C O NA H CA N2 H H NC CB CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* C4 H4 C4 HA CA N2 H H NC C O CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* C4 H4 C4 HA CA N2 H H NC C O CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* C4 H4 C4 HA CA N2 H H NC C O CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* CP H5 NB CB C O NA H CA N2 H H NC CB CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* CP H5 NB CB C O NA H CA N2 H H NC CB CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* CP H5 NB CB C O NA H CA N2 H H NC CB CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* C5 H5 NB CB CA N2 H H NC CQ H5 NC CB CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* CP H5 NB CB C O NA H CA N2 H H NC CB CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* C4 H4 C4 HA CA N2 H H NC C O CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* CS H4 CS HA C O NA H C O CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* C4 H4 C4 HA CA N2 H H NC C O CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* CS H4 CS HA C O NA H C O CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* C4 H4 C4 HA CA N2 H H NC C O CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* CS H4 CS HA C O NA H C O CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* CP H5 NB CB C O NA H CA N2 H H NC CB CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* CP H5 NB CB C O NA H CA N2 H H NC CB CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* C4 H4 C4 HA CA N2 H H NC C O CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* CS H4 CS HA C O NA H C O CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* C5 H5 NB CB CA N2 H H NC CQ H5 NC CB CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* CP H5 NB CB C O NA H CA N2 H H NC CB CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* C4 H4 C4 HA CA N2 H H NC C O CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* C5 H5 NB CB CA N2 H H NC CQ H5 NC CB CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* C5 H5 NB CB CA N2 H H NC CQ H5 NC CB CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* CP H5 NB CB C O NA H CA N2 H H NC CB CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* CP H5 NB CB C O NA H CA N2 H H NC CB CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* C5 H5 NB CB CA N2 H H NC CQ H5 NC CB CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* C5 H5 NB CB CA N2 H H NC CQ H5 NC CB CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* C4 H4 C4 HA CA N2 H H NC C O CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* C4 H4 C4 HA CA N2 H H NC C O CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* C4 H4 C4 HA CA N2 H H NC C O CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* C5 H5 NB CB CA N2 H H NC CQ H5 NC CB CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* C4 H4 C4 HA CA N2 H H NC C O CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* CS H4 CS HA C O NA H C O CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* CP H5 NB CB C O NA H CA N2 H H NC CB CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* C4 H4 C4 HA CA N2 H H NC C O CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* CS H4 CS HA C O NA H C O CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* CS H4 CS HA C O NA H C O CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* C5 H5 NB CB CA N2 H H NC CQ H5 NC CB CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* C5 H5 NB CB CA N2 H H NC CQ H5 NC CB CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* CP H5 NB CB C O NA H CA N2 H H NC CB CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* C4 H4 C4 HA CA N2 H H NC C O CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* C4 H4 C4 HA CA N2 H H NC C O CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* CS H4 CS HA C O NA H C O CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* C4 H4 C4 HA CA N2 H H NC C O CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* C5 H5 NB CB CA N2 H H NC CQ H5 NC CB CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* C5 H5 NB CB CA N2 H H NC CQ H5 NC CB CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* CS H4 CS HA C O NA H C O CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* C5 H5 NB CB CA N2 H H NC CQ H5 NC CB CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* C5 H5 NB CB CA N2 H H NC CQ H5 NC CB CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* C5 H5 NB CB CA N2 H H NC CQ H5 NC CB CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* CP H5 NB CB C O NA H CA N2 H H NC CB CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* C4 H4 C4 HA CA N2 H H NC C O CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* CS H4 CS HA C O NA H C O CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* CS H4 CS HA C O NA H C O CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* CP H5 NB CB C O NA H CA N2 H H NC CB CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* C4 H4 C4 HA CA N2 H H NC C O CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* C4 H4 C4 HA CA N2 H H NC C O CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* CS H4 CS HA C O NA H C O CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* CS H4 CS HA C O NA H C O CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* CP H5 NB CB C O NA H CA N2 H H NC CB CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* C5 H5 NB CB CA N2 H H NC CQ H5 NC CB CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* CP H5 NB CB C O NA H CA N2 H H NC CB CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* CS H4 CS HA C O NA H C O CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* CP H5 NB CB C O NA H CA N2 H H NC CB CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* C4 H4 C4 HA CA N2 H H NC C O CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* C4 H4 C4 HA CA N2 H H NC C O CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* CS H4 CS HA C O NA H C O CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* C4 H4 C4 HA CA N2 H H NC C O CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* C5 H5 NB CB CA N2 H H NC CQ H5 NC CB CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* C5 H5 NB CB CA N2 H H NC CQ H5 NC CB CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* CP H5 NB CB C O NA H CA N2 H H NC CB CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* C4 H4 C4 HA CA N2 H H NC C O CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* C5 H5 NB CB CA N2 H H NC CQ H5 NC CB CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* CP H5 NB CB C O NA H CA N2 H H NC CB CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* CS H4 CS HA C O NA H C O CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* CP H5 NB CB C O NA H CA N2 H H NC CB CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* CS H4 CS HA C O NA H C O CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* CP H5 NB CB C O NA H CA N2 H H NC CB CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* CS H4 CS HA C O NA H C O CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* CP H5 NB CB C O NA H CA N2 H H NC CB CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* C4 H4 C4 HA CA N2 H H NC C O CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* C4 H4 C4 HA CA N2 H H NC C O CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* C4 H4 C4 HA CA N2 H H NC C O CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* C5 H5 NB CB CA N2 H H NC CQ H5 NC CB CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* CS H4 CS HA C O NA H C O CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* C4 H4 C4 HA CA N2 H H NC C O CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* CS H4 CS HA C O NA H C O CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* C4 H4 C4 HA CA N2 H H NC C O CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* CP H5 NB CB C O NA H CA N2 H H NC CB CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* C5 H5 NB CB CA N2 H H NC CQ H5 NC CB CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* CP H5 NB CB C O NA H CA N2 H H NC CB CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* C5 H5 NB CB CA N2 H H NC CQ H5 NC CB CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* CP H5 NB CB C O NA H CA N2 H H NC CB CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* C5 H5 NB CB CA N2 H H NC CQ H5 NC CB CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* CP H5 NB CB C O NA H CA N2 H H NC CB CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* C5 H5 NB CB CA N2 H H NC CQ H5 NC CB CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* CS H4 CS HA C O NA H C O CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* CP H5 NB CB C O NA H CA N2 H H NC CB CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* CP H5 NB CB C O NA H CA N2 H H NC CB CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* CP H5 NB CB C O NA H CA N2 H H NC CB CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* CS H4 CS HA C O NA H C O CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* CP H5 NB CB C O NA H CA N2 H H NC CB CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* C4 H4 C4 HA CA N2 H H NC C O CT H1 CT H1 OH HO OS P O2 O2 OS CI H1 H1 CT H1 OS CT H2 N* CP H5 NB CB C O NA H CA N2 H H NC CB CT H1 CT H1 OH HO OH HO %FLAG TREE_CHAIN_CLASSIFICATION %FORMAT(20a4) BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA M E E M M E E M E S 3 E B S E E B B E B E S B E E E B M E B E S E M M E E M M E E M E S 3 E B S E S E B E B E B E M E B E S E M M E E M M E E M E S 3 E B S E S E B B E E S B E M E B E S E M M E E M M E E M E S 3 E B S E S E B E B E B E M E B E S E M M E E M M E E M E S 3 E B S E S E B B E E S B E M E B E S E M M E E M M E E M E S 3 E B S E S E B E B E B E M E B E S E M M E E M M E E M E S 3 E B S E S E B B E E S B E M E B E S E M M E E M M E E M E S 3 E B S E S E B E B E B E M E B E S E M M E E M M E E M E S 3 E B S E S E B E B E B E M E B E S E M M E E M M E E M E S 3 E B S E E B B E B E S B E E E B M E B E S E M M E E M M E E M E S 3 E B S E S E B E B E B E M E B E S E M M E E M M E E M E S 3 E B S E S E B E B E B E M E B E S E M M E E M M E E M E S 3 E B S E E B B B E E S S E E B M E B E S E M M E E M M E E M E S 3 E B S E E B B E B E S B E E E B M E B E S E M M E E M M E E M E S 3 E B S E E B B B E E S S E E B M E B E S E M M E E M M E E M E S 3 E B S E S E B B E E S B E M E B E S E M M E E M M E E M E S 3 E B S E S E B B E E S B E M E B E S E M M E E M M E E M E S 3 E B S E E B B B E E S S E E B M E B E S E M M E E M M E E M E S 3 E B S E E B B E B E S B E E E B M E B E S E M M E E M M E E M E S 3 E B S E E B B E B E S B E E E B M E B E S E M M E E M M E E M E S 3 E B S E S E B E B E B E M E B E S E M M E E M M E E M E S 3 E B S E S E B B E E S B E M E B E S E M M E E M M E E M E S 3 E B S E E B B E B E S B E E E B M E B E S E M M E E M M E E M E S 3 E B S E E B B B E E S S E E B M E B E S E M M E E M M E E M E S 3 E B S E E B B E B E S B E E E B M E B E S E M M E E M M E E M E S 3 E B S E S E B B E E S B E M E B E S E M M E E M M E E M E S 3 E B S E S E B B E E S B E M E B E S E M M E E M M E E M E S 3 E B S E S E B B E E S B E M E B E S E M M E E M M E E M E S 3 E B S E E B B E B E S B E E E B M E B E S E M M E E M M E E M E S 3 E B S E E B B E B E S B E E E B M E B E S E M M E E M M E E M E S 3 E B S E E B B E B E S B E E E B M E B E S E M M E E M M E E M E S 3 E B S E E B B B E E S S E E B M E B E S E M M E E M M E E M E S 3 E B S E E B B E B E S B E E E B M E B E S E M M E E M M E E M E S 3 E B S E S E B B E E S B E M E B E S E M M E E M M E E M E S 3 E B S E S E B E B E B E M E B E S E M M E E M M E E M E S 3 E B S E S E B B E E S B E M E B E S E M M E E M M E E M E S 3 E B S E S E B E B E B E M E B E S E M M E E M M E E M E S 3 E B S E S E B B E E S B E M E B E S E M M E E M M E E M E S 3 E B S E S E B E B E B E M E B E S E M M E E M M E E M E S 3 E B S E E B B E B E S B E E E B M E B E S E M M E E M M E E M E S 3 E B S E E B B E B E S B E E E B M E B E S E M M E E M M E E M E S 3 E B S E S E B B E E S B E M E B E S E M M E E M M E E M E S 3 E B S E S E B E B E B E M E B E S E M M E E M M E E M E S 3 E B S E E B B B E E S S E E B M E B E S E M M E E M M E E M E S 3 E B S E E B B E B E S B E E E B M E B E S E M M E E M M E E M E S 3 E B S E S E B B E E S B E M E B E S E M M E E M M E E M E S 3 E B S E E B B B E E S S E E B M E B E S E M M E E M M E E M E S 3 E B S E E B B B E E S S E E B M E B E S E M M E E M M E E M E S 3 E B S E E B B E B E S B E E E B M E B E S E M M E E M M E E M E S 3 E B S E E B B E B E S B E E E B M E B E S E M M E E M M E E M E S 3 E B S E E B B B E E S S E E B M E B E S E M M E E M M E E M E S 3 E B S E E B B B E E S S E E B M E B E S E M M E E M M E E M E S 3 E B S E S E B B E E S B E M E B E S E M M E E M M E E M E S 3 E B S E S E B B E E S B E M E B E S E M M E E M M E E M E S 3 E B S E S E B B E E S B E M E B E S E M M E E M M E E M E S 3 E B S E E B B B E E S S E E B M E B E S E M M E E M M E E M E S 3 E B S E S E B B E E S B E M E B E S E M M E E M M E E M E S 3 E B S E S E B E B E B E M E B E S E M M E E M M E E M E S 3 E B S E E B B E B E S B E E E B M E B E S E M M E E M M E E M E S 3 E B S E S E B B E E S B E M E B E S E M M E E M M E E M E S 3 E B S E S E B E B E B E M E B E S E M M E E M M E E M E S 3 E B S E S E B E B E B E M E B E S E M M E E M M E E M E S 3 E B S E E B B B E E S S E E B M E B E S E M M E E M M E E M E S 3 E B S E E B B B E E S S E E B M E B E S E M M E E M M E E M E S 3 E B S E E B B E B E S B E E E B M E B E S E M M E E M M E E M E S 3 E B S E S E B B E E S B E M E B E S E M M E E M M E E M E S 3 E B S E S E B B E E S B E M E B E S E M M E E M M E E M E S 3 E B S E S E B E B E B E M E B E S E M M E E M M E E M E S 3 E B S E S E B B E E S B E M E B E S E M M E E M M 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