NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
647721 | 6vu1 | 30723 | cing | 1-original | 4 | AMBER | unknown |
# Restraints file 2: Cap3G-TAR-F1.top %VERSION VERSION_STAMP = V0001.000 DATE = 02/17/20 18:56:01 %FLAG TITLE %FORMAT(20a4) default_name %FLAG POINTERS %FORMAT(10I8) 1105 14 357 833 819 1308 1838 2576 0 0 6169 34 833 1308 2576 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' 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' 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 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 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' 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 2.12508463E+01 -1.41405048E+01 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3 4 6 9 10 13 10 14 10 1 9 11 10 1 4 5 4 5 7 8 3 2 1 1 3 4 5 5 4 5 3 4 6 9 10 13 10 14 10 9 11 11 9 10 1 4 5 4 5 7 8 3 2 1 1 3 4 5 5 4 5 3 4 6 9 10 13 10 14 10 1 9 11 10 1 4 5 4 5 7 8 3 2 1 1 3 4 5 5 4 5 3 4 6 9 10 13 10 14 10 1 9 11 10 1 4 5 4 5 7 8 3 2 1 1 3 4 5 5 4 5 3 4 6 9 10 12 9 10 10 1 9 11 10 9 11 11 9 10 4 5 4 5 7 8 3 2 1 1 3 4 5 5 4 5 3 4 6 9 10 13 10 14 10 1 9 11 10 1 4 5 4 5 7 8 3 2 1 1 3 4 5 5 4 5 3 4 6 9 10 13 10 14 10 9 11 11 9 10 1 4 5 4 5 7 8 3 2 1 1 3 4 5 5 4 5 3 4 6 9 10 12 9 10 10 1 9 11 10 9 11 11 9 10 4 5 4 5 7 8 3 2 1 1 3 4 5 5 4 5 3 4 6 9 10 12 9 10 10 9 11 11 9 10 12 9 10 4 5 4 5 7 8 3 2 1 1 3 4 5 5 4 5 3 4 6 9 10 12 9 10 10 1 9 11 10 9 11 11 9 10 4 5 4 5 7 8 3 2 1 1 3 4 5 5 4 5 3 4 6 9 10 12 9 10 10 9 11 11 9 10 12 9 10 4 5 4 5 7 8 3 2 1 1 3 4 5 5 4 5 3 4 6 9 10 12 9 10 10 1 9 11 10 9 11 11 9 10 4 5 4 5 7 8 3 2 1 1 3 4 5 5 4 5 3 4 6 9 10 12 9 10 10 1 9 11 10 9 11 11 9 10 4 5 4 5 7 8 3 2 1 1 3 4 5 5 4 5 3 4 6 9 10 13 10 14 10 9 11 11 9 10 1 4 5 4 5 7 8 3 2 1 1 3 4 5 5 4 5 3 4 6 9 10 12 9 10 10 9 11 11 9 10 12 9 10 4 5 4 5 7 8 3 2 1 1 3 4 5 5 4 5 3 4 6 9 10 12 9 10 10 9 11 11 9 10 12 9 10 4 5 4 5 7 8 3 2 1 1 3 4 5 5 4 5 3 4 6 9 10 12 9 10 10 1 9 11 10 9 11 11 9 10 4 5 4 5 7 8 3 2 1 1 3 4 5 5 4 5 3 4 6 9 10 12 9 10 10 1 9 11 10 9 11 11 9 10 4 5 4 5 7 8 3 2 1 1 3 4 5 5 4 5 3 4 6 9 10 12 9 10 10 9 11 11 9 10 12 9 10 4 5 4 5 7 8 3 2 1 1 3 4 5 5 4 5 3 4 6 9 10 12 9 10 10 9 11 11 9 10 12 9 10 4 5 4 5 7 8 3 2 1 1 3 4 5 5 4 5 3 4 6 9 10 13 10 14 10 9 11 11 9 10 1 4 5 4 5 7 8 3 2 1 1 3 4 5 5 4 5 3 4 6 9 10 13 10 14 10 9 11 11 9 10 1 4 5 4 5 7 8 3 2 1 1 3 4 5 5 4 5 3 4 6 9 10 13 10 14 10 9 11 11 9 10 1 4 5 4 5 7 8 3 2 1 1 3 4 5 5 4 5 3 4 6 9 10 12 9 10 10 9 11 11 9 10 12 9 10 4 5 4 5 7 8 3 2 1 1 3 4 5 5 4 5 3 4 6 9 10 13 10 14 10 9 11 11 9 10 1 4 5 4 5 7 8 3 2 1 1 3 4 5 5 4 5 3 4 6 9 10 13 10 14 10 1 9 11 10 1 4 5 4 5 7 8 7 8 %FLAG NUMBER_EXCLUDED_ATOMS %FORMAT(10I8) 6 11 4 7 6 7 3 2 7 10 5 4 12 6 11 15 7 10 6 5 1 10 11 13 9 4 7 3 4 3 2 1 7 5 3 2 1 1 1 1 3 2 1 1 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 13 9 4 6 3 5 3 3 2 2 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 G G U C U C U C U U G U C G A G A G G C A A G G A A C C C A C U3 %FLAG RESIDUE_POINTER %FORMAT(10I8) 1 45 79 113 147 177 208 238 269 299 330 360 390 424 454 485 519 552 586 619 653 687 718 751 784 818 852 885 918 949 980 1011 1044 1075 %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 30 327 330 1 321 324 2 315 318 2 300 303 7 300 306 7 291 294 10 273 276 27 264 267 21 255 258 2 246 249 30 246 252 30 429 432 1 423 426 2 417 420 2 402 405 7 402 408 7 393 396 10 375 378 27 366 369 21 357 360 2 348 351 30 348 354 30 519 522 1 513 516 2 507 510 2 495 498 10 483 486 33 477 480 35 468 471 21 459 462 2 450 453 30 450 456 30 612 615 1 606 609 2 600 603 2 582 585 7 582 588 7 573 576 40 567 570 42 558 561 21 549 552 2 540 543 30 540 546 30 702 705 1 696 699 2 690 693 2 678 681 10 666 669 33 660 663 35 651 654 21 642 645 2 633 636 30 633 639 30 795 798 1 789 792 2 783 786 2 765 768 7 765 771 7 756 759 40 750 753 42 741 744 21 732 735 2 723 726 30 723 729 30 885 888 1 879 882 2 873 876 2 861 864 10 849 852 33 843 846 35 834 837 21 825 828 2 816 819 30 816 822 30 978 981 1 972 975 2 966 969 2 948 951 7 948 954 7 939 942 40 933 936 42 924 927 21 915 918 2 906 909 30 906 912 30 1068 1071 1 1062 1065 2 1056 1059 2 1044 1047 10 1032 1035 33 1026 1029 35 1017 1020 21 1008 1011 2 999 1002 30 999 1005 30 1158 1161 1 1152 1155 2 1146 1149 2 1134 1137 10 1122 1125 33 1116 1119 35 1107 1110 21 1098 1101 2 1089 1092 30 1089 1095 30 1260 1263 1 1254 1257 2 1248 1251 2 1233 1236 7 1233 1239 7 1224 1227 10 1206 1209 27 1197 1200 21 1188 1191 2 1179 1182 30 1179 1185 30 1350 1353 1 1344 1347 2 1338 1341 2 1326 1329 10 1314 1317 33 1308 1311 35 1299 1302 21 1290 1293 2 1281 1284 30 1281 1287 30 1443 1446 1 1437 1440 2 1431 1434 2 1413 1416 7 1413 1419 7 1404 1407 40 1398 1401 42 1389 1392 21 1380 1383 2 1371 1374 30 1371 1377 30 1545 1548 1 1539 1542 2 1533 1536 2 1518 1521 7 1518 1524 7 1509 1512 10 1491 1494 27 1482 1485 21 1473 1476 2 1464 1467 30 1464 1470 30 1644 1647 1 1638 1641 2 1632 1635 2 1620 1623 45 1608 1611 7 1608 1614 7 1593 1596 48 1584 1587 21 1575 1578 2 1566 1569 30 1566 1572 30 1746 1749 1 1740 1743 2 1734 1737 2 1719 1722 7 1719 1725 7 1710 1713 10 1692 1695 27 1683 1686 21 1674 1677 2 1665 1668 30 1665 1671 30 1845 1848 1 1839 1842 2 1833 1836 2 1821 1824 45 1809 1812 7 1809 1815 7 1794 1797 48 1785 1788 21 1776 1779 2 1767 1770 30 1767 1773 30 1947 1950 1 1941 1944 2 1935 1938 2 1920 1923 7 1920 1926 7 1911 1914 10 1893 1896 27 1884 1887 21 1875 1878 2 1866 1869 30 1866 1872 30 2049 2052 1 2043 2046 2 2037 2040 2 2022 2025 7 2022 2028 7 2013 2016 10 1995 1998 27 1986 1989 21 1977 1980 2 1968 1971 30 1968 1974 30 2142 2145 1 2136 2139 2 2130 2133 2 2112 2115 7 2112 2118 7 2103 2106 40 2097 2100 42 2088 2091 21 2079 2082 2 2070 2073 30 2070 2076 30 2241 2244 1 2235 2238 2 2229 2232 2 2217 2220 45 2205 2208 7 2205 2211 7 2190 2193 48 2181 2184 21 2172 2175 2 2163 2166 30 2163 2169 30 2340 2343 1 2334 2337 2 2328 2331 2 2316 2319 45 2304 2307 7 2304 2310 7 2289 2292 48 2280 2283 21 2271 2274 2 2262 2265 30 2262 2268 30 2442 2445 1 2436 2439 2 2430 2433 2 2415 2418 7 2415 2421 7 2406 2409 10 2388 2391 27 2379 2382 21 2370 2373 2 2361 2364 30 2361 2367 30 2544 2547 1 2538 2541 2 2532 2535 2 2517 2520 7 2517 2523 7 2508 2511 10 2490 2493 27 2481 2484 21 2472 2475 2 2463 2466 30 2463 2469 30 2643 2646 1 2637 2640 2 2631 2634 2 2619 2622 45 2607 2610 7 2607 2613 7 2592 2595 48 2583 2586 21 2574 2577 2 2565 2568 30 2565 2571 30 2742 2745 1 2736 2739 2 2730 2733 2 2718 2721 45 2706 2709 7 2706 2712 7 2691 2694 48 2682 2685 21 2673 2676 2 2664 2667 30 2664 2670 30 2835 2838 1 2829 2832 2 2823 2826 2 2805 2808 7 2805 2811 7 2796 2799 40 2790 2793 42 2781 2784 21 2772 2775 2 2763 2766 30 2763 2769 30 2928 2931 1 2922 2925 2 2916 2919 2 2898 2901 7 2898 2904 7 2889 2892 40 2883 2886 42 2874 2877 21 2865 2868 2 2856 2859 30 2856 2862 30 3021 3024 1 3015 3018 2 3009 3012 2 2991 2994 7 2991 2997 7 2982 2985 40 2976 2979 42 2967 2970 21 2958 2961 2 2949 2952 30 2949 2955 30 3120 3123 1 3114 3117 2 3108 3111 2 3096 3099 45 3084 3087 7 3084 3090 7 3069 3072 48 3060 3063 21 3051 3054 2 3042 3045 30 3042 3048 30 3213 3216 1 3207 3210 2 3201 3204 2 3183 3186 7 3183 3189 7 3174 3177 40 3168 3171 42 3159 3162 21 3150 3153 2 3141 3144 30 3141 3147 30 3309 3312 1 3303 3306 1 3297 3300 2 3291 3294 2 3279 3282 10 3267 3270 33 3261 3264 35 3252 3255 21 3243 3246 2 3234 3237 30 3234 3240 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 23 153 159 23 153 213 20 144 153 31 141 144 32 132 135 24 132 138 24 132 141 25 333 336 25 321 327 3 315 321 20 315 333 23 309 312 17 297 300 8 297 309 9 291 297 11 285 288 12 285 291 13 282 285 14 282 312 16 279 282 26 273 279 28 270 273 29 270 312 18 264 270 22 264 321 20 261 264 23 255 261 23 255 315 20 246 255 31 243 246 32 234 237 24 234 240 24 234 243 25 435 438 25 423 429 3 417 423 20 417 435 23 411 414 17 399 402 8 399 411 9 393 399 11 387 390 12 387 393 13 384 387 14 384 414 16 381 384 26 375 381 28 372 375 29 372 414 18 366 372 22 366 423 20 363 366 23 357 363 23 357 417 20 348 357 31 345 348 32 336 339 24 336 342 24 336 345 25 525 528 25 513 519 3 507 513 20 507 525 23 501 504 12 495 501 13 489 492 12 489 495 13 483 489 34 477 483 36 474 477 37 474 501 38 468 474 22 468 513 20 465 468 23 459 465 23 459 507 20 450 459 31 447 450 32 438 441 24 438 444 24 438 447 25 618 621 25 606 612 3 600 606 20 600 618 23 594 597 12 591 594 39 579 582 8 579 591 9 573 579 41 567 573 43 564 567 44 564 594 38 558 564 22 558 606 20 555 558 23 549 555 23 549 600 20 540 549 31 537 540 32 528 531 24 528 534 24 528 537 25 708 711 25 696 702 3 690 696 20 690 708 23 684 687 12 678 684 13 672 675 12 672 678 13 666 672 34 660 666 36 657 660 37 657 684 38 651 657 22 651 696 20 648 651 23 642 648 23 642 690 20 633 642 31 630 633 32 621 624 24 621 627 24 621 630 25 801 804 25 789 795 3 783 789 20 783 801 23 777 780 12 774 777 39 762 765 8 762 774 9 756 762 41 750 756 43 747 750 44 747 777 38 741 747 22 741 789 20 738 741 23 732 738 23 732 783 20 723 732 31 720 723 32 711 714 24 711 717 24 711 720 25 891 894 25 879 885 3 873 879 20 873 891 23 867 870 12 861 867 13 855 858 12 855 861 13 849 855 34 843 849 36 840 843 37 840 867 38 834 840 22 834 879 20 831 834 23 825 831 23 825 873 20 816 825 31 813 816 32 804 807 24 804 810 24 804 813 25 984 987 25 972 978 3 966 972 20 966 984 23 960 963 12 957 960 39 945 948 8 945 957 9 939 945 41 933 939 43 930 933 44 930 960 38 924 930 22 924 972 20 921 924 23 915 921 23 915 966 20 906 915 31 903 906 32 894 897 24 894 900 24 894 903 25 1074 1077 25 1062 1068 3 1056 1062 20 1056 1074 23 1050 1053 12 1044 1050 13 1038 1041 12 1038 1044 13 1032 1038 34 1026 1032 36 1023 1026 37 1023 1050 38 1017 1023 22 1017 1062 20 1014 1017 23 1008 1014 23 1008 1056 20 999 1008 31 996 999 32 987 990 24 987 993 24 987 996 25 1164 1167 25 1152 1158 3 1146 1152 20 1146 1164 23 1140 1143 12 1134 1140 13 1128 1131 12 1128 1134 13 1122 1128 34 1116 1122 36 1113 1116 37 1113 1140 38 1107 1113 22 1107 1152 20 1104 1107 23 1098 1104 23 1098 1146 20 1089 1098 31 1086 1089 32 1077 1080 24 1077 1083 24 1077 1086 25 1266 1269 25 1254 1260 3 1248 1254 20 1248 1266 23 1242 1245 17 1230 1233 8 1230 1242 9 1224 1230 11 1218 1221 12 1218 1224 13 1215 1218 14 1215 1245 16 1212 1215 26 1206 1212 28 1203 1206 29 1203 1245 18 1197 1203 22 1197 1254 20 1194 1197 23 1188 1194 23 1188 1248 20 1179 1188 31 1176 1179 32 1167 1170 24 1167 1173 24 1167 1176 25 1356 1359 25 1344 1350 3 1338 1344 20 1338 1356 23 1332 1335 12 1326 1332 13 1320 1323 12 1320 1326 13 1314 1320 34 1308 1314 36 1305 1308 37 1305 1332 38 1299 1305 22 1299 1344 20 1296 1299 23 1290 1296 23 1290 1338 20 1281 1290 31 1278 1281 32 1269 1272 24 1269 1275 24 1269 1278 25 1449 1452 25 1437 1443 3 1431 1437 20 1431 1449 23 1425 1428 12 1422 1425 39 1410 1413 8 1410 1422 9 1404 1410 41 1398 1404 43 1395 1398 44 1395 1425 38 1389 1395 22 1389 1437 20 1386 1389 23 1380 1386 23 1380 1431 20 1371 1380 31 1368 1371 32 1359 1362 24 1359 1365 24 1359 1368 25 1551 1554 25 1539 1545 3 1533 1539 20 1533 1551 23 1527 1530 17 1515 1518 8 1515 1527 9 1509 1515 11 1503 1506 12 1503 1509 13 1500 1503 14 1500 1530 16 1497 1500 26 1491 1497 28 1488 1491 29 1488 1530 18 1482 1488 22 1482 1539 20 1479 1482 23 1473 1479 23 1473 1533 20 1464 1473 31 1461 1464 32 1452 1455 24 1452 1458 24 1452 1461 25 1650 1653 25 1638 1644 3 1632 1638 20 1632 1650 23 1626 1629 17 1620 1626 46 1617 1620 46 1605 1608 8 1605 1617 9 1602 1605 47 1602 1629 16 1599 1602 26 1593 1599 49 1590 1593 50 1590 1629 18 1584 1590 22 1584 1638 20 1581 1584 23 1575 1581 23 1575 1632 20 1566 1575 31 1563 1566 32 1554 1557 24 1554 1560 24 1554 1563 25 1752 1755 25 1740 1746 3 1734 1740 20 1734 1752 23 1728 1731 17 1716 1719 8 1716 1728 9 1710 1716 11 1704 1707 12 1704 1710 13 1701 1704 14 1701 1731 16 1698 1701 26 1692 1698 28 1689 1692 29 1689 1731 18 1683 1689 22 1683 1740 20 1680 1683 23 1674 1680 23 1674 1734 20 1665 1674 31 1662 1665 32 1653 1656 24 1653 1659 24 1653 1662 25 1851 1854 25 1839 1845 3 1833 1839 20 1833 1851 23 1827 1830 17 1821 1827 46 1818 1821 46 1806 1809 8 1806 1818 9 1803 1806 47 1803 1830 16 1800 1803 26 1794 1800 49 1791 1794 50 1791 1830 18 1785 1791 22 1785 1839 20 1782 1785 23 1776 1782 23 1776 1833 20 1767 1776 31 1764 1767 32 1755 1758 24 1755 1761 24 1755 1764 25 1953 1956 25 1941 1947 3 1935 1941 20 1935 1953 23 1929 1932 17 1917 1920 8 1917 1929 9 1911 1917 11 1905 1908 12 1905 1911 13 1902 1905 14 1902 1932 16 1899 1902 26 1893 1899 28 1890 1893 29 1890 1932 18 1884 1890 22 1884 1941 20 1881 1884 23 1875 1881 23 1875 1935 20 1866 1875 31 1863 1866 32 1854 1857 24 1854 1860 24 1854 1863 25 2055 2058 25 2043 2049 3 2037 2043 20 2037 2055 23 2031 2034 17 2019 2022 8 2019 2031 9 2013 2019 11 2007 2010 12 2007 2013 13 2004 2007 14 2004 2034 16 2001 2004 26 1995 2001 28 1992 1995 29 1992 2034 18 1986 1992 22 1986 2043 20 1983 1986 23 1977 1983 23 1977 2037 20 1968 1977 31 1965 1968 32 1956 1959 24 1956 1962 24 1956 1965 25 2148 2151 25 2136 2142 3 2130 2136 20 2130 2148 23 2124 2127 12 2121 2124 39 2109 2112 8 2109 2121 9 2103 2109 41 2097 2103 43 2094 2097 44 2094 2124 38 2088 2094 22 2088 2136 20 2085 2088 23 2079 2085 23 2079 2130 20 2070 2079 31 2067 2070 32 2058 2061 24 2058 2064 24 2058 2067 25 2247 2250 25 2235 2241 3 2229 2235 20 2229 2247 23 2223 2226 17 2217 2223 46 2214 2217 46 2202 2205 8 2202 2214 9 2199 2202 47 2199 2226 16 2196 2199 26 2190 2196 49 2187 2190 50 2187 2226 18 2181 2187 22 2181 2235 20 2178 2181 23 2172 2178 23 2172 2229 20 2163 2172 31 2160 2163 32 2151 2154 24 2151 2157 24 2151 2160 25 2346 2349 25 2334 2340 3 2328 2334 20 2328 2346 23 2322 2325 17 2316 2322 46 2313 2316 46 2301 2304 8 2301 2313 9 2298 2301 47 2298 2325 16 2295 2298 26 2289 2295 49 2286 2289 50 2286 2325 18 2280 2286 22 2280 2334 20 2277 2280 23 2271 2277 23 2271 2328 20 2262 2271 31 2259 2262 32 2250 2253 24 2250 2256 24 2250 2259 25 2448 2451 25 2436 2442 3 2430 2436 20 2430 2448 23 2424 2427 17 2412 2415 8 2412 2424 9 2406 2412 11 2400 2403 12 2400 2406 13 2397 2400 14 2397 2427 16 2394 2397 26 2388 2394 28 2385 2388 29 2385 2427 18 2379 2385 22 2379 2436 20 2376 2379 23 2370 2376 23 2370 2430 20 2361 2370 31 2358 2361 32 2349 2352 24 2349 2355 24 2349 2358 25 2550 2553 25 2538 2544 3 2532 2538 20 2532 2550 23 2526 2529 17 2514 2517 8 2514 2526 9 2508 2514 11 2502 2505 12 2502 2508 13 2499 2502 14 2499 2529 16 2496 2499 26 2490 2496 28 2487 2490 29 2487 2529 18 2481 2487 22 2481 2538 20 2478 2481 23 2472 2478 23 2472 2532 20 2463 2472 31 2460 2463 32 2451 2454 24 2451 2457 24 2451 2460 25 2649 2652 25 2637 2643 3 2631 2637 20 2631 2649 23 2625 2628 17 2619 2625 46 2616 2619 46 2604 2607 8 2604 2616 9 2601 2604 47 2601 2628 16 2598 2601 26 2592 2598 49 2589 2592 50 2589 2628 18 2583 2589 22 2583 2637 20 2580 2583 23 2574 2580 23 2574 2631 20 2565 2574 31 2562 2565 32 2553 2556 24 2553 2559 24 2553 2562 25 2748 2751 25 2736 2742 3 2730 2736 20 2730 2748 23 2724 2727 17 2718 2724 46 2715 2718 46 2703 2706 8 2703 2715 9 2700 2703 47 2700 2727 16 2697 2700 26 2691 2697 49 2688 2691 50 2688 2727 18 2682 2688 22 2682 2736 20 2679 2682 23 2673 2679 23 2673 2730 20 2664 2673 31 2661 2664 32 2652 2655 24 2652 2658 24 2652 2661 25 2841 2844 25 2829 2835 3 2823 2829 20 2823 2841 23 2817 2820 12 2814 2817 39 2802 2805 8 2802 2814 9 2796 2802 41 2790 2796 43 2787 2790 44 2787 2817 38 2781 2787 22 2781 2829 20 2778 2781 23 2772 2778 23 2772 2823 20 2763 2772 31 2760 2763 32 2751 2754 24 2751 2757 24 2751 2760 25 2934 2937 25 2922 2928 3 2916 2922 20 2916 2934 23 2910 2913 12 2907 2910 39 2895 2898 8 2895 2907 9 2889 2895 41 2883 2889 43 2880 2883 44 2880 2910 38 2874 2880 22 2874 2922 20 2871 2874 23 2865 2871 23 2865 2916 20 2856 2865 31 2853 2856 32 2844 2847 24 2844 2850 24 2844 2853 25 3027 3030 25 3015 3021 3 3009 3015 20 3009 3027 23 3003 3006 12 3000 3003 39 2988 2991 8 2988 3000 9 2982 2988 41 2976 2982 43 2973 2976 44 2973 3003 38 2967 2973 22 2967 3015 20 2964 2967 23 2958 2964 23 2958 3009 20 2949 2958 31 2946 2949 32 2937 2940 24 2937 2943 24 2937 2946 25 3126 3129 25 3114 3120 3 3108 3114 20 3108 3126 23 3102 3105 17 3096 3102 46 3093 3096 46 3081 3084 8 3081 3093 9 3078 3081 47 3078 3105 16 3075 3078 26 3069 3075 49 3066 3069 50 3066 3105 18 3060 3066 22 3060 3114 20 3057 3060 23 3051 3057 23 3051 3108 20 3042 3051 31 3039 3042 32 3030 3033 24 3030 3036 24 3030 3039 25 3219 3222 25 3207 3213 3 3201 3207 20 3201 3219 23 3195 3198 12 3192 3195 39 3180 3183 8 3180 3192 9 3174 3180 41 3168 3174 43 3165 3168 44 3165 3195 38 3159 3165 22 3159 3207 20 3156 3159 23 3150 3156 23 3150 3201 20 3141 3150 31 3138 3141 32 3129 3132 24 3129 3135 24 3129 3138 25 3297 3303 3 3291 3297 20 3291 3309 3 3285 3288 12 3279 3285 13 3273 3276 12 3273 3279 13 3267 3273 34 3261 3267 36 3258 3261 37 3258 3285 38 3252 3258 22 3252 3297 20 3249 3252 23 3243 3249 23 3243 3291 20 3234 3243 31 3231 3234 32 3222 3225 24 3222 3228 24 3222 3231 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 61 324 321 327 1 321 327 330 2 318 315 321 31 318 315 333 41 315 321 324 31 303 300 306 7 297 300 303 9 297 300 306 9 294 291 297 10 285 291 294 15 276 273 279 50 270 273 276 53 267 264 270 34 267 264 321 33 264 321 324 31 261 264 267 39 258 255 261 41 258 255 315 31 255 315 318 31 252 246 255 56 249 246 252 57 249 246 255 56 246 255 258 58 243 246 249 61 243 246 252 61 426 423 429 1 423 429 432 2 420 417 423 31 420 417 435 41 417 423 426 31 405 402 408 7 399 402 405 9 399 402 408 9 396 393 399 10 387 393 396 15 378 375 381 50 372 375 378 53 369 366 372 34 369 366 423 33 366 423 426 31 363 366 369 39 360 357 363 41 360 357 417 31 357 417 420 31 354 348 357 56 351 348 354 57 351 348 357 56 348 357 360 58 345 348 351 61 345 348 354 61 516 513 519 1 513 519 522 2 510 507 513 31 510 507 525 41 507 513 516 31 498 495 501 15 489 495 498 15 486 483 489 65 480 477 483 68 477 483 486 70 474 477 480 72 471 468 474 34 471 468 513 33 468 513 516 31 465 468 471 39 462 459 465 41 462 459 507 31 459 507 510 31 456 450 459 56 453 450 456 57 453 450 459 56 450 459 462 58 447 450 453 61 447 450 456 61 609 606 612 1 606 612 615 2 603 600 606 31 603 600 618 41 600 606 609 31 585 582 588 7 579 582 585 9 579 582 588 9 576 573 579 80 570 567 573 83 567 573 576 85 564 567 570 87 561 558 564 34 561 558 606 33 558 606 609 31 555 558 561 39 552 549 555 41 552 549 600 31 549 600 603 31 546 540 549 56 543 540 546 57 543 540 549 56 540 549 552 58 537 540 543 61 537 540 546 61 699 696 702 1 696 702 705 2 693 690 696 31 693 690 708 41 690 696 699 31 681 678 684 15 672 678 681 15 669 666 672 65 663 660 666 68 660 666 669 70 657 660 663 72 654 651 657 34 654 651 696 33 651 696 699 31 648 651 654 39 645 642 648 41 645 642 690 31 642 690 693 31 639 633 642 56 636 633 639 57 636 633 642 56 633 642 645 58 630 633 636 61 630 633 639 61 792 789 795 1 789 795 798 2 786 783 789 31 786 783 801 41 783 789 792 31 768 765 771 7 762 765 768 9 762 765 771 9 759 756 762 80 753 750 756 83 750 756 759 85 747 750 753 87 744 741 747 34 744 741 789 33 741 789 792 31 738 741 744 39 735 732 738 41 735 732 783 31 732 783 786 31 729 723 732 56 726 723 729 57 726 723 732 56 723 732 735 58 720 723 726 61 720 723 729 61 882 879 885 1 879 885 888 2 876 873 879 31 876 873 891 41 873 879 882 31 864 861 867 15 855 861 864 15 852 849 855 65 846 843 849 68 843 849 852 70 840 843 846 72 837 834 840 34 837 834 879 33 834 879 882 31 831 834 837 39 828 825 831 41 828 825 873 31 825 873 876 31 822 816 825 56 819 816 822 57 819 816 825 56 816 825 828 58 813 816 819 61 813 816 822 61 975 972 978 1 972 978 981 2 969 966 972 31 969 966 984 41 966 972 975 31 951 948 954 7 945 948 951 9 945 948 954 9 942 939 945 80 936 933 939 83 933 939 942 85 930 933 936 87 927 924 930 34 927 924 972 33 924 972 975 31 921 924 927 39 918 915 921 41 918 915 966 31 915 966 969 31 912 906 915 56 909 906 912 57 909 906 915 56 906 915 918 58 903 906 909 61 903 906 912 61 1065 1062 1068 1 1062 1068 1071 2 1059 1056 1062 31 1059 1056 1074 41 1056 1062 1065 31 1047 1044 1050 15 1038 1044 1047 15 1035 1032 1038 65 1029 1026 1032 68 1026 1032 1035 70 1023 1026 1029 72 1020 1017 1023 34 1020 1017 1062 33 1017 1062 1065 31 1014 1017 1020 39 1011 1008 1014 41 1011 1008 1056 31 1008 1056 1059 31 1005 999 1008 56 1002 999 1005 57 1002 999 1008 56 999 1008 1011 58 996 999 1002 61 996 999 1005 61 1155 1152 1158 1 1152 1158 1161 2 1149 1146 1152 31 1149 1146 1164 41 1146 1152 1155 31 1137 1134 1140 15 1128 1134 1137 15 1125 1122 1128 65 1119 1116 1122 68 1116 1122 1125 70 1113 1116 1119 72 1110 1107 1113 34 1110 1107 1152 33 1107 1152 1155 31 1104 1107 1110 39 1101 1098 1104 41 1101 1098 1146 31 1098 1146 1149 31 1095 1089 1098 56 1092 1089 1095 57 1092 1089 1098 56 1089 1098 1101 58 1086 1089 1092 61 1086 1089 1095 61 1257 1254 1260 1 1254 1260 1263 2 1251 1248 1254 31 1251 1248 1266 41 1248 1254 1257 31 1236 1233 1239 7 1230 1233 1236 9 1230 1233 1239 9 1227 1224 1230 10 1218 1224 1227 15 1209 1206 1212 50 1203 1206 1209 53 1200 1197 1203 34 1200 1197 1254 33 1197 1254 1257 31 1194 1197 1200 39 1191 1188 1194 41 1191 1188 1248 31 1188 1248 1251 31 1185 1179 1188 56 1182 1179 1185 57 1182 1179 1188 56 1179 1188 1191 58 1176 1179 1182 61 1176 1179 1185 61 1347 1344 1350 1 1344 1350 1353 2 1341 1338 1344 31 1341 1338 1356 41 1338 1344 1347 31 1329 1326 1332 15 1320 1326 1329 15 1317 1314 1320 65 1311 1308 1314 68 1308 1314 1317 70 1305 1308 1311 72 1302 1299 1305 34 1302 1299 1344 33 1299 1344 1347 31 1296 1299 1302 39 1293 1290 1296 41 1293 1290 1338 31 1290 1338 1341 31 1287 1281 1290 56 1284 1281 1287 57 1284 1281 1290 56 1281 1290 1293 58 1278 1281 1284 61 1278 1281 1287 61 1440 1437 1443 1 1437 1443 1446 2 1434 1431 1437 31 1434 1431 1449 41 1431 1437 1440 31 1416 1413 1419 7 1410 1413 1416 9 1410 1413 1419 9 1407 1404 1410 80 1401 1398 1404 83 1398 1404 1407 85 1395 1398 1401 87 1392 1389 1395 34 1392 1389 1437 33 1389 1437 1440 31 1386 1389 1392 39 1383 1380 1386 41 1383 1380 1431 31 1380 1431 1434 31 1377 1371 1380 56 1374 1371 1377 57 1374 1371 1380 56 1371 1380 1383 58 1368 1371 1374 61 1368 1371 1377 61 1542 1539 1545 1 1539 1545 1548 2 1536 1533 1539 31 1536 1533 1551 41 1533 1539 1542 31 1521 1518 1524 7 1515 1518 1521 9 1515 1518 1524 9 1512 1509 1515 10 1503 1509 1512 15 1494 1491 1497 50 1488 1491 1494 53 1485 1482 1488 34 1485 1482 1539 33 1482 1539 1542 31 1479 1482 1485 39 1476 1473 1479 41 1476 1473 1533 31 1473 1533 1536 31 1470 1464 1473 56 1467 1464 1470 57 1467 1464 1473 56 1464 1473 1476 58 1461 1464 1467 61 1461 1464 1470 61 1641 1638 1644 1 1638 1644 1647 2 1635 1632 1638 31 1635 1632 1650 41 1632 1638 1641 31 1623 1620 1626 91 1617 1620 1623 91 1611 1608 1614 7 1605 1608 1611 9 1605 1608 1614 9 1596 1593 1599 99 1590 1593 1596 102 1587 1584 1590 34 1587 1584 1638 33 1584 1638 1641 31 1581 1584 1587 39 1578 1575 1581 41 1578 1575 1632 31 1575 1632 1635 31 1572 1566 1575 56 1569 1566 1572 57 1569 1566 1575 56 1566 1575 1578 58 1563 1566 1569 61 1563 1566 1572 61 1743 1740 1746 1 1740 1746 1749 2 1737 1734 1740 31 1737 1734 1752 41 1734 1740 1743 31 1722 1719 1725 7 1716 1719 1722 9 1716 1719 1725 9 1713 1710 1716 10 1704 1710 1713 15 1695 1692 1698 50 1689 1692 1695 53 1686 1683 1689 34 1686 1683 1740 33 1683 1740 1743 31 1680 1683 1686 39 1677 1674 1680 41 1677 1674 1734 31 1674 1734 1737 31 1671 1665 1674 56 1668 1665 1671 57 1668 1665 1674 56 1665 1674 1677 58 1662 1665 1668 61 1662 1665 1671 61 1842 1839 1845 1 1839 1845 1848 2 1836 1833 1839 31 1836 1833 1851 41 1833 1839 1842 31 1824 1821 1827 91 1818 1821 1824 91 1812 1809 1815 7 1806 1809 1812 9 1806 1809 1815 9 1797 1794 1800 99 1791 1794 1797 102 1788 1785 1791 34 1788 1785 1839 33 1785 1839 1842 31 1782 1785 1788 39 1779 1776 1782 41 1779 1776 1833 31 1776 1833 1836 31 1773 1767 1776 56 1770 1767 1773 57 1770 1767 1776 56 1767 1776 1779 58 1764 1767 1770 61 1764 1767 1773 61 1944 1941 1947 1 1941 1947 1950 2 1938 1935 1941 31 1938 1935 1953 41 1935 1941 1944 31 1923 1920 1926 7 1917 1920 1923 9 1917 1920 1926 9 1914 1911 1917 10 1905 1911 1914 15 1896 1893 1899 50 1890 1893 1896 53 1887 1884 1890 34 1887 1884 1941 33 1884 1941 1944 31 1881 1884 1887 39 1878 1875 1881 41 1878 1875 1935 31 1875 1935 1938 31 1872 1866 1875 56 1869 1866 1872 57 1869 1866 1875 56 1866 1875 1878 58 1863 1866 1869 61 1863 1866 1872 61 2046 2043 2049 1 2043 2049 2052 2 2040 2037 2043 31 2040 2037 2055 41 2037 2043 2046 31 2025 2022 2028 7 2019 2022 2025 9 2019 2022 2028 9 2016 2013 2019 10 2007 2013 2016 15 1998 1995 2001 50 1992 1995 1998 53 1989 1986 1992 34 1989 1986 2043 33 1986 2043 2046 31 1983 1986 1989 39 1980 1977 1983 41 1980 1977 2037 31 1977 2037 2040 31 1974 1968 1977 56 1971 1968 1974 57 1971 1968 1977 56 1968 1977 1980 58 1965 1968 1971 61 1965 1968 1974 61 2139 2136 2142 1 2136 2142 2145 2 2133 2130 2136 31 2133 2130 2148 41 2130 2136 2139 31 2115 2112 2118 7 2109 2112 2115 9 2109 2112 2118 9 2106 2103 2109 80 2100 2097 2103 83 2097 2103 2106 85 2094 2097 2100 87 2091 2088 2094 34 2091 2088 2136 33 2088 2136 2139 31 2085 2088 2091 39 2082 2079 2085 41 2082 2079 2130 31 2079 2130 2133 31 2076 2070 2079 56 2073 2070 2076 57 2073 2070 2079 56 2070 2079 2082 58 2067 2070 2073 61 2067 2070 2076 61 2238 2235 2241 1 2235 2241 2244 2 2232 2229 2235 31 2232 2229 2247 41 2229 2235 2238 31 2220 2217 2223 91 2214 2217 2220 91 2208 2205 2211 7 2202 2205 2208 9 2202 2205 2211 9 2193 2190 2196 99 2187 2190 2193 102 2184 2181 2187 34 2184 2181 2235 33 2181 2235 2238 31 2178 2181 2184 39 2175 2172 2178 41 2175 2172 2229 31 2172 2229 2232 31 2169 2163 2172 56 2166 2163 2169 57 2166 2163 2172 56 2163 2172 2175 58 2160 2163 2166 61 2160 2163 2169 61 2337 2334 2340 1 2334 2340 2343 2 2331 2328 2334 31 2331 2328 2346 41 2328 2334 2337 31 2319 2316 2322 91 2313 2316 2319 91 2307 2304 2310 7 2301 2304 2307 9 2301 2304 2310 9 2292 2289 2295 99 2286 2289 2292 102 2283 2280 2286 34 2283 2280 2334 33 2280 2334 2337 31 2277 2280 2283 39 2274 2271 2277 41 2274 2271 2328 31 2271 2328 2331 31 2268 2262 2271 56 2265 2262 2268 57 2265 2262 2271 56 2262 2271 2274 58 2259 2262 2265 61 2259 2262 2268 61 2439 2436 2442 1 2436 2442 2445 2 2433 2430 2436 31 2433 2430 2448 41 2430 2436 2439 31 2418 2415 2421 7 2412 2415 2418 9 2412 2415 2421 9 2409 2406 2412 10 2400 2406 2409 15 2391 2388 2394 50 2385 2388 2391 53 2382 2379 2385 34 2382 2379 2436 33 2379 2436 2439 31 2376 2379 2382 39 2373 2370 2376 41 2373 2370 2430 31 2370 2430 2433 31 2367 2361 2370 56 2364 2361 2367 57 2364 2361 2370 56 2361 2370 2373 58 2358 2361 2364 61 2358 2361 2367 61 2541 2538 2544 1 2538 2544 2547 2 2535 2532 2538 31 2535 2532 2550 41 2532 2538 2541 31 2520 2517 2523 7 2514 2517 2520 9 2514 2517 2523 9 2511 2508 2514 10 2502 2508 2511 15 2493 2490 2496 50 2487 2490 2493 53 2484 2481 2487 34 2484 2481 2538 33 2481 2538 2541 31 2478 2481 2484 39 2475 2472 2478 41 2475 2472 2532 31 2472 2532 2535 31 2469 2463 2472 56 2466 2463 2469 57 2466 2463 2472 56 2463 2472 2475 58 2460 2463 2466 61 2460 2463 2469 61 2640 2637 2643 1 2637 2643 2646 2 2634 2631 2637 31 2634 2631 2649 41 2631 2637 2640 31 2622 2619 2625 91 2616 2619 2622 91 2610 2607 2613 7 2604 2607 2610 9 2604 2607 2613 9 2595 2592 2598 99 2589 2592 2595 102 2586 2583 2589 34 2586 2583 2637 33 2583 2637 2640 31 2580 2583 2586 39 2577 2574 2580 41 2577 2574 2631 31 2574 2631 2634 31 2571 2565 2574 56 2568 2565 2571 57 2568 2565 2574 56 2565 2574 2577 58 2562 2565 2568 61 2562 2565 2571 61 2739 2736 2742 1 2736 2742 2745 2 2733 2730 2736 31 2733 2730 2748 41 2730 2736 2739 31 2721 2718 2724 91 2715 2718 2721 91 2709 2706 2712 7 2703 2706 2709 9 2703 2706 2712 9 2694 2691 2697 99 2688 2691 2694 102 2685 2682 2688 34 2685 2682 2736 33 2682 2736 2739 31 2679 2682 2685 39 2676 2673 2679 41 2676 2673 2730 31 2673 2730 2733 31 2670 2664 2673 56 2667 2664 2670 57 2667 2664 2673 56 2664 2673 2676 58 2661 2664 2667 61 2661 2664 2670 61 2832 2829 2835 1 2829 2835 2838 2 2826 2823 2829 31 2826 2823 2841 41 2823 2829 2832 31 2808 2805 2811 7 2802 2805 2808 9 2802 2805 2811 9 2799 2796 2802 80 2793 2790 2796 83 2790 2796 2799 85 2787 2790 2793 87 2784 2781 2787 34 2784 2781 2829 33 2781 2829 2832 31 2778 2781 2784 39 2775 2772 2778 41 2775 2772 2823 31 2772 2823 2826 31 2769 2763 2772 56 2766 2763 2769 57 2766 2763 2772 56 2763 2772 2775 58 2760 2763 2766 61 2760 2763 2769 61 2925 2922 2928 1 2922 2928 2931 2 2919 2916 2922 31 2919 2916 2934 41 2916 2922 2925 31 2901 2898 2904 7 2895 2898 2901 9 2895 2898 2904 9 2892 2889 2895 80 2886 2883 2889 83 2883 2889 2892 85 2880 2883 2886 87 2877 2874 2880 34 2877 2874 2922 33 2874 2922 2925 31 2871 2874 2877 39 2868 2865 2871 41 2868 2865 2916 31 2865 2916 2919 31 2862 2856 2865 56 2859 2856 2862 57 2859 2856 2865 56 2856 2865 2868 58 2853 2856 2859 61 2853 2856 2862 61 3018 3015 3021 1 3015 3021 3024 2 3012 3009 3015 31 3012 3009 3027 41 3009 3015 3018 31 2994 2991 2997 7 2988 2991 2994 9 2988 2991 2997 9 2985 2982 2988 80 2979 2976 2982 83 2976 2982 2985 85 2973 2976 2979 87 2970 2967 2973 34 2970 2967 3015 33 2967 3015 3018 31 2964 2967 2970 39 2961 2958 2964 41 2961 2958 3009 31 2958 3009 3012 31 2955 2949 2958 56 2952 2949 2955 57 2952 2949 2958 56 2949 2958 2961 58 2946 2949 2952 61 2946 2949 2955 61 3117 3114 3120 1 3114 3120 3123 2 3111 3108 3114 31 3111 3108 3126 41 3108 3114 3117 31 3099 3096 3102 91 3093 3096 3099 91 3087 3084 3090 7 3081 3084 3087 9 3081 3084 3090 9 3072 3069 3075 99 3066 3069 3072 102 3063 3060 3066 34 3063 3060 3114 33 3060 3114 3117 31 3057 3060 3063 39 3054 3051 3057 41 3054 3051 3108 31 3051 3108 3111 31 3048 3042 3051 56 3045 3042 3048 57 3045 3042 3051 56 3042 3051 3054 58 3039 3042 3045 61 3039 3042 3048 61 3210 3207 3213 1 3207 3213 3216 2 3204 3201 3207 31 3204 3201 3219 41 3201 3207 3210 31 3186 3183 3189 7 3180 3183 3186 9 3180 3183 3189 9 3177 3174 3180 80 3171 3168 3174 83 3168 3174 3177 85 3165 3168 3171 87 3162 3159 3165 34 3162 3159 3207 33 3159 3207 3210 31 3156 3159 3162 39 3153 3150 3156 41 3153 3150 3201 31 3150 3201 3204 31 3147 3141 3150 56 3144 3141 3147 57 3144 3141 3150 56 3141 3150 3153 58 3138 3141 3144 61 3138 3141 3147 61 3300 3297 3303 1 3297 3303 3306 2 3294 3291 3297 31 3294 3291 3309 1 3291 3297 3300 31 3291 3309 3312 2 3282 3279 3285 15 3273 3279 3282 15 3270 3267 3273 65 3264 3261 3267 68 3261 3267 3270 70 3258 3261 3264 72 3255 3252 3258 34 3255 3252 3297 33 3252 3297 3300 31 3249 3252 3255 39 3246 3243 3249 41 3246 3243 3291 31 3243 3291 3294 31 3240 3234 3243 56 3237 3234 3240 57 3237 3234 3243 56 3234 3243 3246 58 3231 3234 3237 61 3231 3234 3240 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 57 51 120 30 54 51 57 1 54 51 120 31 51 45 63 32 51 57 60 2 51 120 123 31 51 120 126 30 48 45 51 33 48 45 63 34 45 51 54 31 45 51 57 30 45 51 120 35 45 63 66 36 45 63 114 37 42 36 120 38 42 45 48 39 42 45 51 38 42 45 63 40 39 36 42 41 39 36 120 31 36 42 45 42 36 120 51 35 36 120 123 31 36 120 126 30 33 27 36 31 30 27 33 3 30 27 36 31 27 36 39 31 27 36 42 38 27 36 120 35 24 27 30 41 24 27 33 41 24 27 36 38 21 15 24 43 18 15 21 44 18 15 24 43 15 24 27 45 12 15 18 43 12 15 21 43 12 15 24 46 9 3 12 46 9 132 135 43 9 132 138 43 9 132 141 46 6 3 9 43 6 3 12 43 3 9 132 47 3 12 15 47 0 3 6 44 0 3 9 43 0 3 12 43 231 234 237 43 231 234 240 43 231 234 243 46 219 213 231 38 213 219 225 30 213 231 234 45 198 195 207 8 195 207 210 25 189 195 198 11 189 195 207 12 186 183 189 13 183 180 210 23 183 189 195 16 180 183 186 18 180 183 189 19 180 210 207 17 177 180 183 48 177 180 210 49 171 168 210 51 171 177 180 52 168 162 219 32 168 171 177 54 168 210 180 26 168 210 207 27 162 168 171 55 162 168 210 36 162 219 213 35 162 219 225 30 159 153 213 38 159 162 168 40 159 162 219 38 153 159 162 42 153 213 219 35 153 213 231 38 144 153 159 59 144 153 213 60 141 144 153 62 138 132 141 43 135 132 138 44 135 132 141 43 132 141 144 63 333 336 339 43 333 336 342 43 333 336 345 46 321 315 333 38 315 321 327 30 315 333 336 45 300 297 309 8 297 309 312 25 291 297 300 11 291 297 309 12 288 285 291 13 285 282 312 23 285 291 297 16 282 285 288 18 282 285 291 19 282 312 309 17 279 282 285 48 279 282 312 49 273 270 312 51 273 279 282 52 270 264 321 32 270 273 279 54 270 312 282 26 270 312 309 27 264 270 273 55 264 270 312 36 264 321 315 35 264 321 327 30 261 255 315 38 261 264 270 40 261 264 321 38 255 261 264 42 255 315 321 35 255 315 333 38 246 255 261 59 246 255 315 60 243 246 255 62 240 234 243 43 237 234 240 44 237 234 243 43 234 243 246 63 435 438 441 43 435 438 444 43 435 438 447 46 423 417 435 38 417 423 429 30 417 435 438 45 402 399 411 8 399 411 414 25 393 399 402 11 393 399 411 12 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2502 2508 13 2502 2499 2529 23 2502 2508 2514 16 2499 2502 2505 18 2499 2502 2508 19 2499 2529 2526 17 2496 2499 2502 48 2496 2499 2529 49 2490 2487 2529 51 2490 2496 2499 52 2487 2481 2538 32 2487 2490 2496 54 2487 2529 2499 26 2487 2529 2526 27 2481 2487 2490 55 2481 2487 2529 36 2481 2538 2532 35 2481 2538 2544 30 2478 2472 2532 38 2478 2481 2487 40 2478 2481 2538 38 2472 2478 2481 42 2472 2532 2538 35 2472 2532 2550 38 2463 2472 2478 59 2463 2472 2532 60 2460 2463 2472 62 2457 2451 2460 43 2454 2451 2457 44 2454 2451 2460 43 2451 2460 2463 63 2649 2652 2655 43 2649 2652 2658 43 2649 2652 2661 46 2637 2631 2649 38 2631 2637 2643 30 2631 2649 2652 45 2619 2625 2628 92 2616 2619 2625 93 2607 2604 2616 8 2604 2601 2628 94 2604 2616 2619 95 2601 2604 2607 96 2601 2604 2616 97 2601 2628 2625 17 2598 2601 2604 98 2598 2601 2628 49 2592 2589 2628 100 2592 2598 2601 101 2589 2583 2637 32 2589 2592 2598 103 2589 2628 2601 26 2589 2628 2625 27 2583 2589 2592 104 2583 2589 2628 36 2583 2637 2631 35 2583 2637 2643 30 2580 2574 2631 38 2580 2583 2589 40 2580 2583 2637 38 2574 2580 2583 42 2574 2631 2637 35 2574 2631 2649 38 2565 2574 2580 59 2565 2574 2631 60 2562 2565 2574 62 2559 2553 2562 43 2556 2553 2559 44 2556 2553 2562 43 2553 2562 2565 63 2748 2751 2754 43 2748 2751 2757 43 2748 2751 2760 46 2736 2730 2748 38 2730 2736 2742 30 2730 2748 2751 45 2718 2724 2727 92 2715 2718 2724 93 2706 2703 2715 8 2703 2700 2727 94 2703 2715 2718 95 2700 2703 2706 96 2700 2703 2715 97 2700 2727 2724 17 2697 2700 2703 98 2697 2700 2727 49 2691 2688 2727 100 2691 2697 2700 101 2688 2682 2736 32 2688 2691 2697 103 2688 2727 2700 26 2688 2727 2724 27 2682 2688 2691 104 2682 2688 2727 36 2682 2736 2730 35 2682 2736 2742 30 2679 2673 2730 38 2679 2682 2688 40 2679 2682 2736 38 2673 2679 2682 42 2673 2730 2736 35 2673 2730 2748 38 2664 2673 2679 59 2664 2673 2730 60 2661 2664 2673 62 2658 2652 2661 43 2655 2652 2658 44 2655 2652 2661 43 2652 2661 2664 63 2841 2844 2847 43 2841 2844 2850 43 2841 2844 2853 46 2829 2823 2841 38 2823 2829 2835 30 2823 2841 2844 45 2814 2817 2820 78 2805 2802 2814 8 2802 2814 2817 79 2796 2802 2805 81 2796 2802 2814 82 2790 2787 2817 84 2790 2796 2802 86 2787 2781 2829 32 2787 2790 2796 88 2787 2817 2814 89 2787 2817 2820 75 2781 2787 2790 90 2781 2787 2817 77 2781 2829 2823 35 2781 2829 2835 30 2778 2772 2823 38 2778 2781 2787 40 2778 2781 2829 38 2772 2778 2781 42 2772 2823 2829 35 2772 2823 2841 38 2763 2772 2778 59 2763 2772 2823 60 2760 2763 2772 62 2757 2751 2760 43 2754 2751 2757 44 2754 2751 2760 43 2751 2760 2763 63 2934 2937 2940 43 2934 2937 2943 43 2934 2937 2946 46 2922 2916 2934 38 2916 2922 2928 30 2916 2934 2937 45 2907 2910 2913 78 2898 2895 2907 8 2895 2907 2910 79 2889 2895 2898 81 2889 2895 2907 82 2883 2880 2910 84 2883 2889 2895 86 2880 2874 2922 32 2880 2883 2889 88 2880 2910 2907 89 2880 2910 2913 75 2874 2880 2883 90 2874 2880 2910 77 2874 2922 2916 35 2874 2922 2928 30 2871 2865 2916 38 2871 2874 2880 40 2871 2874 2922 38 2865 2871 2874 42 2865 2916 2922 35 2865 2916 2934 38 2856 2865 2871 59 2856 2865 2916 60 2853 2856 2865 62 2850 2844 2853 43 2847 2844 2850 44 2847 2844 2853 43 2844 2853 2856 63 3027 3030 3033 43 3027 3030 3036 43 3027 3030 3039 46 3015 3009 3027 38 3009 3015 3021 30 3009 3027 3030 45 3000 3003 3006 78 2991 2988 3000 8 2988 3000 3003 79 2982 2988 2991 81 2982 2988 3000 82 2976 2973 3003 84 2976 2982 2988 86 2973 2967 3015 32 2973 2976 2982 88 2973 3003 3000 89 2973 3003 3006 75 2967 2973 2976 90 2967 2973 3003 77 2967 3015 3009 35 2967 3015 3021 30 2964 2958 3009 38 2964 2967 2973 40 2964 2967 3015 38 2958 2964 2967 42 2958 3009 3015 35 2958 3009 3027 38 2949 2958 2964 59 2949 2958 3009 60 2946 2949 2958 62 2943 2937 2946 43 2940 2937 2943 44 2940 2937 2946 43 2937 2946 2949 63 3126 3129 3132 43 3126 3129 3135 43 3126 3129 3138 46 3114 3108 3126 38 3108 3114 3120 30 3108 3126 3129 45 3096 3102 3105 92 3093 3096 3102 93 3084 3081 3093 8 3081 3078 3105 94 3081 3093 3096 95 3078 3081 3084 96 3078 3081 3093 97 3078 3105 3102 17 3075 3078 3081 98 3075 3078 3105 49 3069 3066 3105 100 3069 3075 3078 101 3066 3060 3114 32 3066 3069 3075 103 3066 3105 3078 26 3066 3105 3102 27 3060 3066 3069 104 3060 3066 3105 36 3060 3114 3108 35 3060 3114 3120 30 3057 3051 3108 38 3057 3060 3066 40 3057 3060 3114 38 3051 3057 3060 42 3051 3108 3114 35 3051 3108 3126 38 3042 3051 3057 59 3042 3051 3108 60 3039 3042 3051 62 3036 3030 3039 43 3033 3030 3036 44 3033 3030 3039 43 3030 3039 3042 63 3219 3222 3225 43 3219 3222 3228 43 3219 3222 3231 46 3207 3201 3219 38 3201 3207 3213 30 3201 3219 3222 45 3192 3195 3198 78 3183 3180 3192 8 3180 3192 3195 79 3174 3180 3183 81 3174 3180 3192 82 3168 3165 3195 84 3168 3174 3180 86 3165 3159 3207 32 3165 3168 3174 88 3165 3195 3192 89 3165 3195 3198 75 3159 3165 3168 90 3159 3165 3195 77 3159 3207 3201 35 3159 3207 3213 30 3156 3150 3201 38 3156 3159 3165 40 3156 3159 3207 38 3150 3156 3159 42 3150 3201 3207 35 3150 3201 3219 38 3141 3150 3156 59 3141 3150 3201 60 3138 3141 3150 62 3135 3129 3138 43 3132 3129 3135 44 3132 3129 3138 43 3129 3138 3141 63 3297 3291 3309 30 3291 3297 3303 30 3279 3285 3288 13 3276 3273 3279 13 3273 3279 3285 64 3267 3273 3276 66 3267 3273 3279 67 3261 3258 3285 69 3261 3267 3273 71 3258 3252 3297 32 3258 3261 3267 73 3258 3285 3279 74 3258 3285 3288 75 3252 3258 3261 76 3252 3258 3285 77 3252 3297 3291 35 3252 3297 3303 30 3249 3243 3291 38 3249 3252 3258 40 3249 3252 3297 38 3243 3249 3252 42 3243 3291 3297 35 3243 3291 3309 30 3234 3243 3249 59 3234 3243 3291 60 3231 3234 3243 62 3228 3222 3231 43 3225 3222 3228 44 3225 3222 3231 43 3222 3231 3234 63 %FLAG DIHEDRALS_INC_HYDROGEN %FORMAT(10I8) 222 219 213 231 14 222 219 -213 231 16 222 219 225 228 1 216 213 219 222 13 216 213 219 225 14 216 213 -219 225 16 216 213 231 234 29 213 219 225 228 14 213 219 -225 228 15 204 198 195 207 6 201 198 195 207 6 192 189 195 198 7 192 189 195 207 7 189 195 198 201 6 189 195 198 204 6 186 183 189 192 9 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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* 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* 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 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 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 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 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 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 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 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