NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
625045 | 5n8m | 34104 | cing | 1-original | 2 | unknown | unknown |
# Restraints file 2: prmtop %VERSION VERSION_STAMP = V0001.000 DATE = 02/18/17 19:49:31 %FLAG TITLE %FORMAT(20a4) default_name %FLAG POINTERS %FORMAT(10I8) 3727 17 1670 2179 3824 3135 7925 8112 0 0 20712 197 2179 3135 8112 92 220 275 41 0 0 0 0 0 0 0 0 0 34 0 0 %FLAG ATOM_NAME %FORMAT(20a4) N H1 H2 H3 CA HA2 HA3 C O N H CA HA2 HA3 C O N H CA HA CB HB2 HB3 OG HG C O N H CA HA CB HB2 HB3 CG HG CD1 HD11HD12HD13 CD2 HD21HD22HD23C O N CD HD2 HD3 CG HG2 HG3 CB HB2 HB3 CA HA C O N H CA HA CB HB2 HB3 OG HG C O N H CA HA CB HB CG2 HG21HG22 HG23CG1 HG12HG13CD1 HD11HD12HD13C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD OE1 OE2 C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD OE1 NE2 HE21HE22 C O N H CA HA CB HB2 HB3 CG HG2 HG3 SD CE HE1 HE2 HE3 C O N H CA HA CB HB2 HB3 CG HG CD1 HD11HD12HD13CD2 HD21HD22HD23C O N H CA HA CB HB1 HB2 HB3 C O N H CA HA CB HB1 HB2 HB3 C O N H CA HA CB HB2 HB3 CG OD1 ND2 HD21HD22C O N CD HD2 HD3 CG HG2 HG3 CB HB2 HB3 CA HA C O N H CA HA2 HA3 C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD HD2 HD3 CE HE2 HE3 NZ HZ1 HZ2 HZ3 C O N H CA HA CB HB CG2 HG21HG22HG23OG1 HG1 C O N CD HD2 HD3 CG HG2 HG3 CB HB2 HB3 CA HA C O N H CA HA CB HB CG2 HG21HG22HG23CG1 HG12HG13CD1 HD11HD12HD13 C O N H CA HA CB HB2 HB3 OG HG C O N H CA HA CB HB2 HB3 CG HG CD1 HD11HD12HD13CD2 HD21HD22HD23C O N H CA HA CB HB2 HB3 CG HG CD1 HD11HD12HD13CD2 HD21HD22HD23C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD OE1 NE2 HE21HE22C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD OE1 OE2 C O N H CA HA CB HB2 HB3 CG CD1 HD1 CE1 HE1 CZ OH HH CE2 HE2 CD2 HD2 C O N H CA HA2 HA3 C O N H CA HA CB HB CG2 HG21HG22 HG23OG1 HG1 C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD HD2 HD3 NE HE CZ NH1 HH11HH12NH2 HH21HH22C O N H CA HA CB HB CG2 HG21HG22HG23CG1 HG12HG13CD1 HD11HD12HD13C O N H CA HA2 HA3 C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD HD2 HD3 CE HE2 HE3 NZ HZ1 HZ2 HZ3 C O N H CA HA CB HB CG2 HG21HG22HG23OG1 HG1 C O N CD HD2 HD3 CG HG2 HG3 CB HB2 HB3 CA HA C O N H CA HA CB HB CG1 HG11HG12HG13CG2 HG21HG22HG23C O N H CA HA CB HB2 HB3 CG CD1 HD1 CE1 HE1 CZ OH HH CE2 HE2 CD2 HD2 C O N H CA HA CB HB2 HB3 CG OD1 OD2 C O N H CA HA CB HB2 HB3 CG HG CD1 HD11HD12HD13CD2 HD21HD22HD23C O N H CA HA CB HB2 HB3 CG HG CD1 HD11HD12HD13CD2 HD21HD22HD23C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD HD2 HD3 CE HE2 HE3 NZ HZ1 HZ2 HZ3 C O N H CA HA CB HB1 HB2 HB3 C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD OE1 OE2 C O N H CA HA2 HA3 C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD OE1 NE2 HE21 HE22C O N H CA HA CB HB1 HB2 HB3 C O N H CA HA CB HB2 HB3 CG ND1 CE1 HE1 NE2 HE2 CD2 HD2 C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD OE1 NE2 HE21HE22C O N CD HD2 HD3 CG HG2 HG3 CB HB2 HB3 CA HA C O N H CA HA CB HB2 HB3 CG OD1 ND2 HD21HD22C O N H CA HA CB HB2 HB3 CG CD1 HD1 CE1 HE1 CZ HZ CE2 HE2 CD2 HD2 C O N H CA HA CB HB CG2 HG21HG22HG23OG1 HG1 C O N H CA HA CB HB2 HB3 CG CD1 HD1 CE1 HE1 CZ HZ CE2 HE2 CD2 HD2 C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD HD2 HD3 NE HE CZ NH1 HH11HH12NH2 HH21HH22C O N H CA HA CB HB CG1 HG11HG12HG13CG2 HG21HG22HG23C O N H CA HA CB HB CG2 HG21HG22HG23OG1 HG1 C O N H CA HA CB HB CG1 HG11HG12HG13CG2 HG21HG22HG23C O N H CA HA2 HA3 C O N H CA HA CB HB2 HB3 CG OD1 OD2 C O N H CA HA CB HB CG2 HG21HG22HG23OG1 HG1 C O N H CA HA CB HB2 HB3 OG HG C O N H CA HA CB HB2 HB3 SG HG C O N H CA HA CB HB CG2 HG21HG22HG23OG1 HG1 C O N H CA HA2 HA3 C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD OE1 NE2 HE21HE22C O N H CA HA2 HA3 C O N CD HD2 HD3 CG HG2 HG3 CB HB2 HB3 CA HA C O N H CA HA CB HB2 HB3 OG HG C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD HD2 HD3 CE HE2 HE3 NZ HZ1 HZ2 HZ3 C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD HD2 HD3 CE HE2 HE3 NZ HZ1 HZ2 HZ3 C O N H CA HA CB HB1 HB2 HB3 C O N H CA HA CB HB1 HB2 HB3 C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD HD2 HD3 CE HE2 HE3 NZ HZ1 HZ2 HZ3 C O N H CA HA CB HB2 HB3 CG ND1 CE1 HE1 NE2 HE2 CD2 HD2 C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD HD2 HD3 CE HE2 HE3 NZ HZ1 HZ2 HZ3 C O N H CA HA CB HB1 HB2 HB3 C O N H CA HA CB HB1 HB2 HB3 C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD OE1 OE2 C O N H CA HA CB HB CG1 HG11HG12HG13CG2 HG21HG22HG23C O N H CA HA CB HB1 HB2 HB3 C O N H CA HA CB HB2 HB3 CG HG CD1 HD11HD12HD13CD2 HD21HD22HD23C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD HD2 HD3 CE HE2 HE3 NZ HZ1 HZ2 HZ3 C O N H CA HA CB HB2 HB3 CG ND1 CE1 HE1 NE2 HE2 CD2 HD2 C O N H CA HA CB HB2 HB3 CG HG CD1 HD11HD12 HD13CD2 HD21HD22HD23C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD HD2 HD3 CE HE2 HE3 NZ HZ1 HZ2 HZ3 C O N H CA HA2 HA3 C O OXT N H1 H2 H3 CA HA CB HB2 HB3 SG HG C O N H CA HA CB HB2 HB3 CG OD1 ND2 HD21HD22C O N CD HD2 HD3 CG HG2 HG3 CB HB2 HB3 CA HA C O N H CA HA CB HB CG1 HG11HG12HG13CG2 HG21HG22HG23C O N H CA HA2 HA3 C O N H CA HA CB HB1 HB2 HB3 C O N H CA HA CB HB2 HB3 CG HG CD1 HD11HD12HD13CD2 HD21HD22HD23C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD OE1 NE2 HE21HE22C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD OE1 OE2 C O N H CA HA CB HB2 HB3 CG HG CD1 HD11HD12HD13CD2 HD21HD22HD23C O N H CA HA CB HB CG1 HG11HG12HG13CG2 HG21HG22HG23C O N H CA HA CB HB CG1 HG11HG12HG13CG2 HG21HG22HG23C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD OE1 NE2 HE21HE22C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD HD2 HD3 CE HE2 HE3 NZ HZ1 HZ2 HZ3 C O N H CA HA2 HA3 C O N H CA HA CB HB2 HB3 CG CD1 HD1 NE1 HE1 CE2 CZ2 HZ2 CH2 HH2 CZ3 HZ3 CE3 HE3 CD2 C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD HD2 HD3 NE HE CZ NH1 HH11HH12NH2 HH21HH22C O N H CA HA CB HB2 HB3 CG HG CD1 HD11HD12HD13 CD2 HD21HD22HD23C O N CD HD2 HD3 CG HG2 HG3 CB HB2 HB3 CA HA C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD OE1 OE2 C O N H CA HA CB HB2 HB3 CG CD1 HD1 CE1 HE1 CZ OH HH CE2 HE2 CD2 HD2 C O N H CA HA CB HB CG2 HG21HG22HG23OG1 HG1 C O N H CA HA CB HB CG1 HG11HG12HG13 CG2 HG21HG22HG23C O N H CA HA CB HB CG2 HG21HG22HG23OG1 HG1 C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD OE1 NE2 HE21HE22C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD OE1 OE2 C O N H CA HA CB HB2 HB3 OG HG C O N H CA HA2 HA3 C O N CD HD2 HD3 CG HG2 HG3 CB HB2 HB3 CA HA C O N H CA HA CB HB1 HB2 HB3 C O N H CA HA CB HB2 HB3 CG ND1 CE1 HE1 NE2 HE2 CD2 HD2 C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD HD2 HD3 NE HE CZ NH1 HH11HH12NH2 HH21HH22C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD HD2 HD3 CE HE2 HE3 NZ HZ1 HZ2 HZ3 C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD OE1 OE2 C O N H CA HA CB HB2 HB3 CG CD1 HD1 CE1 HE1 CZ HZ CE2 HE2 CD2 HD2 C O N H CA HA CB HB CG2 HG21 HG22HG23OG1 HG1 C O N H CA HA CB HB2 HB3 CG HG2 HG3 SD CE HE1 HE2 HE3 C O N H CA HA CB HB CG2 HG21HG22HG23OG1 HG1 C O N H CA HA CB HB2 HB3 SG HG C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD HD2 HD3 NE HE CZ NH1 HH11HH12NH2 HH21HH22C O N H CA HA CB HB CG1 HG11 HG12HG13CG2 HG21HG22HG23C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD OE1 OE2 C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD HD2 HD3 NE HE CZ NH1 HH11HH12NH2 HH21HH22C O N H CA HA CB HB2 HB3 CG CD1 HD1 CE1 HE1 CZ HZ CE2 HE2 CD2 HD2 C O N H CA HA CB HB CG2 HG21HG22HG23CG1 HG12HG13 CD1 HD11HD12HD13C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD OE1 OE2 C O N H CA HA CB HB CG2 HG21HG22HG23CG1 HG12HG13CD1 HD11HD12HD13C O N H CA HA2 HA3 C O N H CA HA CB HB2 HB3 OG HG C O N H CA HA2 HA3 C O N H CA HA CB HB CG2 HG21HG22HG23OG1 HG1 C O N H CA HA CB HB2 HB3 OG HG C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD HD2 HD3 CE HE2 HE3 NZ HZ1 HZ2 HZ3 C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD HD2 HD3 CE HE2 HE3 NZ HZ1 HZ2 HZ3 C O N H CA HA CB HB2 HB3 CG HG CD1 HD11HD12HD13CD2 HD21HD22HD23C O N H CA HA CB HB1 HB2 HB3 C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD HD2 HD3 CE HE2 HE3 NZ HZ1 HZ2 HZ3 C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD HD2 HD3 NE HE CZ NH1 HH11HH12NH2 HH21HH22C O N H CA HA CB HB2 HB3 CG OD1 ND2 HD21 HD22C O N H CA HA CB HB1 HB2 HB3 C O N H CA HA CB HB1 HB2 HB3 C O N H CA HA CB HB1 HB2 HB3 C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD HD2 HD3 CE HE2 HE3 NZ HZ1 HZ2 HZ3 C O N H CA HA CB HB2 HB3 CG HG2 HG3 SD CE HE1 HE2 HE3 C O N H CA HA CB HB2 HB3 CG HG CD1 HD11HD12HD13CD2 HD21HD22HD23C O N H CA HA CB HB2 HB3 CG HG CD1 HD11HD12HD13CD2 HD21HD22HD23C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD HD2 HD3 NE HE CZ NH1 HH11HH12NH2 HH21HH22C O N H CA HA CB HB CG1 HG11HG12HG13CG2 HG21HG22HG23C O N H CA HA CB HB2 HB3 CG ND1 CE1 HE1 NE2 HE2 CD2 HD2 C O N H CA HA CB HB CG2 HG21HG22HG23OG1 HG1 C O OXT H5T O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 O4 N3 H3 C2 O2 C3' H3' C2' H2'1O2' HO'2O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 O4 N3 H3 C2 O2 C3' H3' C2' H2'1O2' HO'2O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 N6 H61 H62 N1 C2 H2 N3 C4 C3' H3' C2' H2'1O2' HO'2O3' P O1P O2P O5' C5' H5'1H5'2 C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 N6 H61 H62 N1 C2 H2 N3 C4 C3' H3' C2' H2'1O2' HO'2O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 O4 N3 H3 C2 O2 C3' H3' C2' H2'1O2' HO'2O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 O4 N3 H3 C2 O2 C3' H3' C2' H2'1O2' HO'2O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 N6 H61 H62 N1 C2 H2 N3 C4 C3' H3' C2' H2'1O2' HO'2O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 O4 N3 H3 C2 O2 C3' H3' C2' H2'1O2' HO'2O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 N4 H41 H42 N3 C2 O2 C3' H3' C2' H2'1O2' HO'2O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 O4 N3 H3 C2 O2 C3' H3' C2' H2'1O2' HO'2O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 N6 H61 H62 N1 C2 H2 N3 C4 C3' H3' C2' H2'1 O2' HO'2O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 O4 N3 H3 C2 O2 C3' H3' C2' H2'1O2' HO'2O3' P O1P O2P O5' C5' H5'1H5'2 C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 O4 N3 H3 C2 O2 C3' H3' C2' H2'1 O2' HO'2O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 N4 H41 H42 N3 C2 O2 C3' H3' C2' H2'1O2' HO'2O3' P O1P O2P O5' C5' H5'1 H5'2C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 N4 H41 H42 N3 C2 O2 C3' H3' C2' H2'1O2' HO'2O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 O6 N1 H1 C2 N2 H21 H22 N3 C4 C3' H3' C2' H2'1O2' HO'2O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 O4 N3 H3 C2 O2 C3' H3' C2' H2'1O2' HO'2O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 N6 H61 H62 N1 C2 H2 N3 C4 C3' H3' C2' H2'1O2' HO'2O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 N4 H41 H42 N3 C2 O2 C3' H3' C2' H2'1O2' HO'2O3' P O1P O2P O5' C5' H5'1H5'2 C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 O4 N3 H3 C2 O2 C3' H3' C2' H2'1 O2' HO'2O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 O4 N3 H3 C2 O2 C3' H3' C2' H2'1O2' HO'2O3' H3T H5T O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 O6 N1 H1 C2 N2 H21 H22 N3 C4 C3' H3' C2' H2'1O2' HO'2O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 O4 N3 H3 C2 O2 C3' H3' C2' H2'1O2' HO'2O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 N6 H61 H62 N1 C2 H2 N3 C4 C3' H3' C2' H2'1O2' HO'2O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 N4 H41 H42 N3 C2 O2 C3' H3' C2' H2'1O2' HO'2O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 O6 N1 H1 C2 N2 H21 H22 N3 C4 C3' H3' C2' H2'1O2' HO'2O3' P O1P O2P O5' C5' H5'1 H5'2C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 O6 N1 H1 C2 N2 H21 H22 N3 C4 C3' H3' C2' H2'1O2' HO'2O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 N6 H61 H62 N1 C2 H2 N3 C4 C3' H3' C2' H2'1O2' HO'2 O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 N6 H61 H62 N1 C2 H2 N3 C4 C3' H3' C2' H2'1O2' HO'2O3' P O1P O2P O5' C5' H5'1 H5'2C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 O4 N3 H3 C2 O2 C3' H3' C2' H2'1O2' HO'2O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 N6 H61 H62 N1 C2 H2 N3 C4 C3' H3' C2' H2'1O2' HO'2O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 O6 N1 H1 C2 N2 H21 H22 N3 C4 C3' H3' C2' H2'1O2' HO'2O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 N6 H61 H62 N1 C2 H2 N3 C4 C3' H3' C2' H2'1O2' HO'2O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 O4 N3 H3 C2 O2 C3' H3' C2' H2'1O2' HO'2O3' P O1P O2P O5' C5' H5'1 H5'2C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 N6 H61 H62 N1 C2 H2 N3 C4 C3' H3' C2' H2'1O2' HO'2O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 N6 H61 H62 N1 C2 H2 N3 C4 C3' H3' C2' H2'1O2' HO'2O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 O4 N3 H3 C2 O2 C3' H3' C2' H2'1O2' HO'2O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 O4 N3 H3 C2 O2 C3' H3' C2' H2'1O2' HO'2O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 N6 H61 H62 N1 C2 H2 N3 C4 C3' H3' C2' H2'1O2' HO'2O3' P O1P O2P O5' C5' H5'1H5'2 C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 N6 H61 H62 N1 C2 H2 N3 C4 C3' H3' C2' H2'1O2' HO'2O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 O4 N3 H3 C2 O2 C3' H3' C2' H2'1O2' HO'2O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 O4 N3 H3 C2 O2 C3' H3' C2' H2'1O2' HO'2O3' H3T %FLAG CHARGE %FORMAT(5E16.8) 5.36282289E+00 2.99210166E+00 2.99210166E+00 2.99210166E+00 -1.82223000E-01 1.63089585E+00 1.63089585E+00 1.12304035E+01 -1.04268001E+01 -7.57501011E+00 4.95464337E+00 -4.59201960E-01 1.27191654E+00 1.27191654E+00 1.08841798E+01 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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 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 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 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 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 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 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 92 106 121 137 2 3 5 8 12 17 23 30 38 47 57 68 80 93 107 122 138 4 5 6 9 13 18 24 31 39 48 58 69 81 94 108 123 139 7 8 9 10 14 19 25 32 40 49 59 70 82 95 109 124 140 11 12 13 14 15 20 26 33 41 50 60 71 83 96 110 125 141 16 17 18 19 20 21 27 34 42 51 61 72 84 97 111 126 142 22 23 24 25 26 27 28 35 43 52 62 73 85 98 112 127 143 29 30 31 32 33 34 35 36 44 53 63 74 86 99 113 128 144 37 38 39 40 41 42 43 44 45 54 64 75 87 100 114 129 145 46 47 48 49 50 51 52 53 54 55 65 76 88 101 115 130 146 56 57 58 59 60 61 62 63 64 65 66 77 89 102 116 131 147 67 68 69 70 71 72 73 74 75 76 77 78 90 103 117 132 148 79 80 81 82 83 84 85 86 87 88 89 90 91 104 118 133 149 92 93 94 95 96 97 98 99 100 101 102 103 104 105 119 134 150 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 135 151 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 152 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 %FLAG RESIDUE_LABEL %FORMAT(20a4) GLY GLY SER LEU PRO SER ILE GLU GLN MET LEU ALA ALA ASN PRO GLY LYS THR PRO ILE SER LEU LEU GLN GLU TYR GLY THR ARG ILE GLY LYS THR PRO VAL TYR ASP LEU LEU LYS ALA GLU GLY GLN ALA HIE GLN PRO ASN PHE THR PHE ARG VAL THR VAL GLY ASP THR SER CYS THR GLY GLN GLY PRO SER LYS LYS ALA ALA LYS HIE LYS ALA ALA GLU VAL ALA LEU LYS HIE LEU LYS GLY CYS ASN PRO VAL GLY ALA LEU GLN GLU LEU VAL VAL GLN LYS GLY TRP ARG LEU PRO GLU TYR THR VAL THR GLN GLU SER GLY PRO ALA HIE ARG LYS GLU PHE THR MET THR CYS ARG VAL GLU ARG PHE ILE GLU ILE GLY SER GLY THR SER LYS LYS LEU ALA LYS ARG ASN ALA ALA ALA LYS MET LEU LEU ARG VAL HIE THR RU5 RU RA RA RU RU RA RU RC RU RA RU RU RC RC RG RU RA RC RU RU3 RG5 RU RA RC RG RG RA RA RU RA RG RA RU RA RA RU RU RA RA RU RU3 %FLAG RESIDUE_POINTER %FORMAT(10I8) 1 10 17 28 47 61 72 91 106 123 140 159 169 179 193 207 214 236 250 264 283 294 313 332 349 364 385 392 406 430 449 456 478 492 506 522 543 555 574 593 615 625 640 647 664 674 691 708 722 736 756 770 790 814 830 844 860 867 879 893 904 915 929 936 953 960 974 985 1007 1029 1039 1049 1071 1088 1110 1120 1130 1145 1161 1171 1190 1212 1229 1248 1270 1278 1291 1305 1319 1335 1342 1352 1371 1388 1403 1422 1438 1454 1471 1493 1500 1524 1548 1567 1581 1596 1617 1631 1647 1661 1678 1693 1704 1711 1725 1735 1752 1776 1798 1813 1833 1847 1864 1878 1889 1913 1929 1944 1968 1988 2007 2022 2041 2048 2059 2066 2080 2091 2113 2135 2154 2164 2186 2210 2224 2234 2244 2254 2276 2293 2312 2331 2355 2371 2388 2403 2431 2461 2494 2527 2557 2587 2620 2650 2681 2711 2744 2774 2804 2835 2866 2900 2930 2963 2994 3024 3055 3087 3117 3150 3181 3215 3249 3282 3315 3345 3378 3412 3445 3475 3508 3541 3571 3601 3634 3667 3697 %FLAG BOND_FORCE_CONSTANT %FORMAT(5E16.8) 5.70000000E+02 4.90000000E+02 3.40000000E+02 3.17000000E+02 4.34000000E+02 3.67000000E+02 3.40000000E+02 4.34000000E+02 3.37000000E+02 5.53000000E+02 3.40000000E+02 3.20000000E+02 3.10000000E+02 3.40000000E+02 3.40000000E+02 3.10000000E+02 3.40000000E+02 3.10000000E+02 3.10000000E+02 3.10000000E+02 3.40000000E+02 3.37000000E+02 3.10000000E+02 3.10000000E+02 6.56000000E+02 3.17000000E+02 3.10000000E+02 3.17000000E+02 2.27000000E+02 2.27000000E+02 3.40000000E+02 3.67000000E+02 3.40000000E+02 3.10000000E+02 3.10000000E+02 3.40000000E+02 3.20000000E+02 3.67000000E+02 4.69000000E+02 4.50000000E+02 4.69000000E+02 3.17000000E+02 4.34000000E+02 4.81000000E+02 3.40000000E+02 3.37000000E+02 3.67000000E+02 4.34000000E+02 4.27000000E+02 3.67000000E+02 4.77000000E+02 4.88000000E+02 4.10000000E+02 5.18000000E+02 3.17000000E+02 2.74000000E+02 2.37000000E+02 6.56000000E+02 4.69000000E+02 4.69000000E+02 4.47000000E+02 4.28000000E+02 5.46000000E+02 3.88000000E+02 3.17000000E+02 2.30000000E+02 3.20000000E+02 3.20000000E+02 4.18000000E+02 3.67000000E+02 4.10000000E+02 3.67000000E+02 5.49000000E+02 4.48000000E+02 4.24000000E+02 3.40000000E+02 3.37000000E+02 5.25000000E+02 4.61000000E+02 3.67000000E+02 5.02000000E+02 4.83000000E+02 5.20000000E+02 4.14000000E+02 3.67000000E+02 5.29000000E+02 4.40000000E+02 4.36000000E+02 4.57000000E+02 4.27000000E+02 4.27000000E+02 4.47000000E+02 %FLAG BOND_EQUIL_VALUE %FORMAT(5E16.8) 1.22900000E+00 1.33500000E+00 1.09000000E+00 1.52200000E+00 1.01000000E+00 1.47100000E+00 1.09000000E+00 1.01000000E+00 1.44900000E+00 9.60000000E-01 1.09000000E+00 1.41000000E+00 1.52600000E+00 1.09000000E+00 1.09000000E+00 1.52600000E+00 1.09000000E+00 1.52600000E+00 1.52600000E+00 1.52600000E+00 1.09000000E+00 1.44900000E+00 1.52600000E+00 1.52600000E+00 1.25000000E+00 1.52200000E+00 1.52600000E+00 1.52200000E+00 1.81000000E+00 1.81000000E+00 1.09000000E+00 1.47100000E+00 1.09000000E+00 1.52600000E+00 1.52600000E+00 1.09000000E+00 1.41000000E+00 1.08000000E+00 1.40000000E+00 1.36400000E+00 1.40900000E+00 1.51000000E+00 1.01000000E+00 1.34000000E+00 1.09000000E+00 1.46300000E+00 1.08000000E+00 1.01000000E+00 1.38100000E+00 1.08000000E+00 1.34300000E+00 1.33500000E+00 1.39400000E+00 1.37100000E+00 1.50400000E+00 1.33600000E+00 1.81000000E+00 1.25000000E+00 1.40400000E+00 1.40000000E+00 1.41900000E+00 1.38000000E+00 1.35200000E+00 1.45900000E+00 1.49500000E+00 1.61000000E+00 1.41000000E+00 1.41000000E+00 1.38800000E+00 1.08000000E+00 1.44400000E+00 1.08000000E+00 1.35000000E+00 1.36500000E+00 1.38300000E+00 1.09000000E+00 1.47500000E+00 1.48000000E+00 1.35400000E+00 1.08000000E+00 1.32400000E+00 1.33900000E+00 1.37000000E+00 1.39100000E+00 1.08000000E+00 1.30400000E+00 1.37100000E+00 1.37400000E+00 1.35800000E+00 1.43300000E+00 1.38100000E+00 1.41900000E+00 %FLAG ANGLE_FORCE_CONSTANT %FORMAT(5E16.8) 8.00000000E+01 5.00000000E+01 5.00000000E+01 5.00000000E+01 3.50000000E+01 8.00000000E+01 7.00000000E+01 5.00000000E+01 3.50000000E+01 5.00000000E+01 8.00000000E+01 5.00000000E+01 3.50000000E+01 5.00000000E+01 5.00000000E+01 6.30000000E+01 5.00000000E+01 3.50000000E+01 6.30000000E+01 5.50000000E+01 5.00000000E+01 5.00000000E+01 5.00000000E+01 8.00000000E+01 5.00000000E+01 3.50000000E+01 4.00000000E+01 5.00000000E+01 5.00000000E+01 5.00000000E+01 3.50000000E+01 5.00000000E+01 4.00000000E+01 5.00000000E+01 4.00000000E+01 5.00000000E+01 5.00000000E+01 6.30000000E+01 5.00000000E+01 4.00000000E+01 5.00000000E+01 3.50000000E+01 5.00000000E+01 4.00000000E+01 5.00000000E+01 8.00000000E+01 8.00000000E+01 5.00000000E+01 5.00000000E+01 6.30000000E+01 4.00000000E+01 5.00000000E+01 5.00000000E+01 4.00000000E+01 4.00000000E+01 8.00000000E+01 8.00000000E+01 5.00000000E+01 7.00000000E+01 5.00000000E+01 6.30000000E+01 4.00000000E+01 3.50000000E+01 5.00000000E+01 8.00000000E+01 7.00000000E+01 6.30000000E+01 5.00000000E+01 5.00000000E+01 6.20000000E+01 5.00000000E+01 5.00000000E+01 6.30000000E+01 5.00000000E+01 3.50000000E+01 5.00000000E+01 5.00000000E+01 3.50000000E+01 5.00000000E+01 8.00000000E+01 4.00000000E+01 6.30000000E+01 5.00000000E+01 5.00000000E+01 4.00000000E+01 8.00000000E+01 5.00000000E+01 5.00000000E+01 5.00000000E+01 5.50000000E+01 5.00000000E+01 5.00000000E+01 5.00000000E+01 7.00000000E+01 5.00000000E+01 5.00000000E+01 6.30000000E+01 6.30000000E+01 6.30000000E+01 5.00000000E+01 7.00000000E+01 6.30000000E+01 3.50000000E+01 7.00000000E+01 5.00000000E+01 5.00000000E+01 3.50000000E+01 5.00000000E+01 5.00000000E+01 5.00000000E+01 8.00000000E+01 6.30000000E+01 5.00000000E+01 5.00000000E+01 5.00000000E+01 5.00000000E+01 7.00000000E+01 7.00000000E+01 5.00000000E+01 7.00000000E+01 7.00000000E+01 7.00000000E+01 5.00000000E+01 5.00000000E+01 7.00000000E+01 7.00000000E+01 6.30000000E+01 5.00000000E+01 4.30000000E+01 5.00000000E+01 8.00000000E+01 7.00000000E+01 5.00000000E+01 8.00000000E+01 5.00000000E+01 6.30000000E+01 6.30000000E+01 5.00000000E+01 6.30000000E+01 6.30000000E+01 5.00000000E+01 7.00000000E+01 7.00000000E+01 6.30000000E+01 7.00000000E+01 5.00000000E+01 7.00000000E+01 6.30000000E+01 6.30000000E+01 5.00000000E+01 7.00000000E+01 7.00000000E+01 6.30000000E+01 1.00000000E+02 4.50000000E+01 5.00000000E+01 5.00000000E+01 5.50000000E+01 5.00000000E+01 5.00000000E+01 1.00000000E+02 5.00000000E+01 8.00000000E+01 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 5.00000000E+01 7.00000000E+01 7.00000000E+01 8.00000000E+01 5.00000000E+01 5.00000000E+01 7.00000000E+01 7.00000000E+01 5.00000000E+01 5.00000000E+01 6.00000000E+01 1.40000000E+02 5.00000000E+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 7.00000000E+01 5.00000000E+01 7.00000000E+01 7.00000000E+01 5.00000000E+01 7.00000000E+01 7.00000000E+01 7.00000000E+01 7.00000000E+01 7.00000000E+01 8.00000000E+01 7.00000000E+01 5.00000000E+01 7.00000000E+01 7.00000000E+01 6.30000000E+01 7.00000000E+01 7.00000000E+01 5.00000000E+01 7.00000000E+01 7.00000000E+01 6.30000000E+01 7.00000000E+01 8.00000000E+01 7.00000000E+01 7.00000000E+01 %FLAG ANGLE_EQUIL_VALUE %FORMAT(5E16.8) 2.14501057E+00 2.09439600E+00 2.12755727E+00 1.91113635E+00 1.91113635E+00 2.10137732E+00 2.03505478E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.94080696E+00 1.91113635E+00 1.91113635E+00 2.06018753E+00 1.91113635E+00 1.92160833E+00 1.91113635E+00 1.91113635E+00 1.93906163E+00 1.89368305E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91462701E+00 2.12755727E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.93906163E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 2.05948940E+00 1.91113635E+00 1.91113635E+00 1.91462701E+00 1.91462701E+00 1.91113635E+00 1.91113635E+00 1.93906163E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91462701E+00 2.19911580E+00 1.91113635E+00 2.04203610E+00 1.91113635E+00 1.93906163E+00 1.91113635E+00 2.09439600E+00 1.91113635E+00 2.10137732E+00 2.03505478E+00 1.93906163E+00 1.91113635E+00 1.91113635E+00 1.72613137E+00 1.91113635E+00 2.00189351E+00 1.93906163E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.94080696E+00 1.91113635E+00 1.93906163E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91462701E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.89368305E+00 1.91113635E+00 1.91113635E+00 2.09439600E+00 2.09439600E+00 1.97222290E+00 2.09439600E+00 2.09439600E+00 2.09439600E+00 2.09439600E+00 1.91113635E+00 2.09439600E+00 1.98967620E+00 2.09439600E+00 2.09439600E+00 2.09439600E+00 1.91113635E+00 1.91113635E+00 2.06647072E+00 2.15024656E+00 1.91113635E+00 1.94080696E+00 1.93906163E+00 2.09439600E+00 2.09439600E+00 2.09439600E+00 2.09439600E+00 2.09439600E+00 2.09439600E+00 2.09439600E+00 2.09439600E+00 2.04203610E+00 2.09439600E+00 2.09439600E+00 1.91113635E+00 2.09439600E+00 2.09439600E+00 1.97396823E+00 1.91113635E+00 1.67551680E+00 1.89542838E+00 2.19911580E+00 2.04203610E+00 1.91113635E+00 1.94080696E+00 2.09439600E+00 2.09439600E+00 2.14151991E+00 2.09439600E+00 2.09439600E+00 2.02807346E+00 2.14850123E+00 2.31779824E+00 1.82212452E+00 1.85703112E+00 1.94778828E+00 2.09439600E+00 1.89717371E+00 1.89891904E+00 2.35445017E+00 1.91113635E+00 2.18166250E+00 2.24449438E+00 2.01760148E+00 1.88897066E+00 1.79070858E+00 1.91113635E+00 1.91113635E+00 1.89368305E+00 1.91113635E+00 1.91113635E+00 2.10312265E+00 2.03854544E+00 2.10486798E+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 1.91113635E+00 2.07868803E+00 2.11533996E+00 2.01411082E+00 2.11010397E+00 1.91113635E+00 1.91113635E+00 2.11533996E+00 2.05250808E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 2.09265067E+00 2.01498349E+00 1.93731630E+00 2.25322103E+00 2.08217869E+00 2.04727209E+00 2.06996138E+00 2.15548255E+00 2.04727209E+00 2.22878641E+00 2.31081692E+00 1.92684432E+00 2.14762857E+00 1.83957782E+00 1.81165254E+00 2.14762857E+00 1.98793087E+00 1.85354046E+00 2.20260646E+00 2.24798504E+00 2.19562514E+00 2.13802925E+00 2.10312265E+00 2.15199189E+00 2.09614133E+00 2.12057595E+00 2.04203610E+00 2.06996138E+00 1.95826026E+00 2.05948940E+00 2.02458280E+00 2.15199189E+00 2.08043336E+00 2.18515316E+00 2.24798504E+00 1.94255229E+00 2.26892900E+00 %FLAG DIHEDRAL_FORCE_CONSTANT %FORMAT(5E16.8) 2.00000000E+00 2.50000000E+00 0.00000000E+00 0.00000000E+00 2.70000000E-01 4.20000000E-01 0.00000000E+00 1.55555556E-01 1.80000000E+00 8.00000000E-01 8.00000000E-01 8.00000000E-02 4.50000000E-01 1.58000000E+00 5.50000000E-01 7.61000000E-01 5.30000000E-02 7.15000000E-01 9.80000000E-02 1.66666667E-01 2.00000000E-01 2.00000000E-01 4.00000000E-01 2.50000000E-01 0.00000000E+00 2.51000000E-01 2.79000000E-01 1.84000000E-01 2.10000000E-02 7.30000000E-01 1.19000000E-01 1.23100000E+00 9.20000000E-02 2.00000000E+00 1.60000000E-01 1.50000000E-01 9.90000000E-02 8.41000000E-01 2.83000000E-01 1.83000000E-01 5.43000000E-01 2.40000000E-02 1.64000000E-01 1.49000000E-01 1.53000000E-01 2.88000000E-01 3.81000000E-01 4.00000000E-02 2.00000000E-01 2.50000000E-01 1.80000000E-01 6.79000000E-01 1.14500000E+00 2.56600000E+00 7.40000000E-02 4.90000000E-01 4.21000000E-01 1.74700000E+00 1.38000000E-01 6.80000000E-02 2.10000000E-02 3.09000000E-01 2.62000000E-01 8.50000000E-02 1.40000000E-02 2.65000000E-01 3.94000000E-01 1.61000000E+00 1.00000000E-02 3.71000000E-01 9.08000000E-01 1.84800000E+00 2.86000000E-01 4.40000000E-01 3.75000000E-01 6.15000000E-01 1.22000000E-01 8.93000000E-01 1.01000000E-01 1.35300000E+00 1.81000000E-01 5.80000000E-01 6.00000000E-02 9.80000000E-02 1.73000000E-01 9.06000000E-01 9.90000000E-02 2.45300000E+00 7.00000000E-03 1.11700000E+00 5.05000000E-01 3.01300000E+00 8.71000000E-01 1.04300000E+00 5.94000000E-01 2.17000000E-01 1.25000000E-01 3.80000000E-01 1.88000000E-01 3.33333333E-01 2.42000000E-01 4.42000000E-01 4.01000000E-01 8.60000000E-02 3.91000000E-01 2.38000000E-01 1.51000000E-01 1.51000000E-01 6.68000000E-01 2.05000000E-01 1.02800000E+00 3.00000000E-03 1.28300000E+00 4.31000000E-01 5.70000000E-02 1.18000000E-01 8.57000000E-01 9.04000000E-01 3.46000000E-01 1.56000000E-01 7.02000000E-01 1.99000000E-01 8.56000000E-01 8.00000000E-03 3.39000000E-01 5.80000000E-02 5.80000000E-01 2.61000000E-01 1.99000000E-01 8.70000000E-02 3.69000000E-01 1.07000000E-01 2.95000000E-01 1.59000000E-01 1.29000000E-01 3.30000000E-02 3.27000000E-01 1.27000000E-01 1.00000000E-01 4.00000000E-02 8.00000000E-03 1.86000000E-01 9.42000000E-01 2.18000000E-01 1.37300000E+00 5.22000000E-01 3.14600000E+00 3.90000000E-02 7.67000000E-01 2.08000000E-01 2.20000000E-01 1.00000000E-02 1.02300000E+00 9.00000000E-02 1.06000000E-01 1.20000000E-02 4.41000000E-01 7.10000000E-01 3.00700000E+00 2.03000000E-01 3.62500000E+00 8.58000000E-01 2.80000000E-02 5.60000000E-02 4.62000000E-01 5.72800000E+00 1.21000000E-01 4.59000000E-01 1.26000000E-01 1.40000000E-01 5.36000000E-01 5.99800000E+00 1.10000000E-02 2.40000000E+00 1.06600000E+00 1.29000000E+00 6.14000000E-01 8.50000000E-02 1.15500000E+00 1.17600000E+00 7.35000000E-01 2.00000000E-03 0.00000000E+00 0.00000000E+00 1.56000000E-01 0.00000000E+00 7.65000000E-01 6.88000000E-01 4.41500000E+00 6.00000000E-02 8.32000000E-01 4.00000000E-03 2.52400000E+00 3.25000000E-01 4.43000000E+00 2.20000000E-02 1.50000000E+00 2.32500000E+00 5.37500000E+00 3.79000000E-01 1.48000000E-01 4.31000000E-01 9.00000000E-02 5.00000000E+00 1.18500000E+00 1.48300000E+00 6.21000000E-01 1.19000000E-01 6.44000000E-01 1.07000000E+00 8.60000000E-02 2.17000000E-01 5.71000000E-01 2.90000000E-02 3.99000000E-01 1.46000000E-01 6.34000000E-01 2.60000000E-02 1.56100000E+00 1.43000000E-01 2.50000000E-01 2.97000000E-01 6.13000000E-01 2.02000000E-01 1.60000000E-02 1.75000000E-01 2.44000000E-01 1.89300000E+00 1.98000000E-01 3.00000000E+00 3.50000000E+00 1.52500000E+00 6.52500000E+00 1.67500000E+00 5.00000000E-02 2.06000000E-01 2.24200000E+00 4.85300000E+00 1.14100000E+00 1.02900000E+00 1.75000000E-01 2.84800000E+00 9.09000000E-01 1.88000000E+00 7.30000000E-02 3.00000000E-03 4.10000000E-01 2.47500000E+00 1.60000000E-02 1.20000000E+00 1.17500000E+00 1.44000000E-01 3.83333333E-01 1.35000000E+00 2.17500000E+00 1.85000000E+00 6.65000000E+00 1.45000000E+00 3.00000000E-01 1.00000000E-01 3.83000000E-01 2.50000000E+00 6.50000000E-01 6.80000000E+00 4.80000000E+00 5.45000000E+00 4.15000000E+00 1.70000000E+00 1.00000000E+01 1.65000000E+00 2.55000000E+00 4.00000000E+00 1.05000000E+01 1.10000000E+00 1.00000000E+00 %FLAG DIHEDRAL_PERIODICITY %FORMAT(5E16.8) 1.00000000E+00 2.00000000E+00 2.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 3.00000000E+00 2.00000000E+00 3.00000000E+00 1.00000000E+00 3.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 3.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 1.00000000E+00 3.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 2.00000000E+00 3.00000000E+00 3.00000000E+00 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4.00000000E+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 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 2.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+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 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 3.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 2.00000000E+00 2.00000000E+00 3.00000000E+00 3.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 3.00000000E+00 2.00000000E+00 3.00000000E+00 1.00000000E+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 %FLAG DIHEDRAL_PHASE %FORMAT(5E16.8) 0.00000000E+00 3.14159400E+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 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 0.00000000E+00 3.14159400E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 -2.32128890E-01 -2.74016810E-01 -2.47836860E-01 -4.55531130E-01 0.00000000E+00 0.00000000E+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 3.14159400E+00 0.00000000E+00 0.00000000E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+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 0.00000000E+00 0.00000000E+00 0.00000000E+00 3.14159400E+00 0.00000000E+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 0.00000000E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 0.00000000E+00 -3.12239537E+00 2.00189351E+00 3.07876212E+00 3.10494207E+00 3.12763136E+00 -2.95833435E+00 3.14159400E+00 3.14159400E+00 0.00000000E+00 0.00000000E+00 3.14159400E+00 3.14159400E+00 0.00000000E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 0.00000000E+00 0.00000000E+00 -2.76809338E+00 -5.21853670E-01 3.00196760E+00 7.47001240E-01 0.00000000E+00 3.07527146E+00 4.01425900E-02 1.74533000E-02 -6.68461390E-01 -6.63225400E-02 1.44862390E-01 1.39102801E+00 1.51669177E+00 0.00000000E+00 3.14159400E+00 3.14159400E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 3.14159400E+00 0.00000000E+00 0.00000000E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 0.00000000E+00 0.00000000E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 0.00000000E+00 3.03687420E+00 2.70526150E-01 -8.02851800E-02 -2.93215440E-01 -3.13810334E+00 3.13635801E+00 -2.79252800E-02 8.02851800E-02 -3.12239537E+00 3.04036486E+00 -1.20427770E-01 2.12930260E-01 3.14159400E+00 3.14159400E+00 0.00000000E+00 0.00000000E+00 3.14159400E+00 3.14159400E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 3.14159400E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 3.14159400E+00 0.00000000E+00 0.00000000E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.13461268E+00 -5.75958900E-02 3.14159400E+00 3.14159400E+00 3.14159400E+00 0.00000000E+00 -5.06145700E-02 -3.70009960E-01 3.14159400E+00 3.14159400E+00 0.00000000E+00 0.00000000E+00 3.14159400E+00 3.14159400E+00 0.00000000E+00 3.14159400E+00 0.00000000E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 -2.36666748E+00 2.53247383E+00 -0.00000000E+00 1.45560522E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 0.00000000E+00 -3.07527146E+00 -2.81347196E+00 3.14159400E+00 3.14159400E+00 0.00000000E+00 0.00000000E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 0.00000000E+00 3.14159400E+00 0.00000000E+00 3.14159400E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 3.14159400E+00 0.00000000E+00 3.14159400E+00 3.14159400E+00 0.00000000E+00 3.14159400E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 3.14159400E+00 0.00000000E+00 3.14159400E+00 3.14159400E+00 0.00000000E+00 -4.67748440E-01 -1.86750310E-01 -1.06465130E-01 -2.15722788E+00 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 3.14159400E+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 3.14159400E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 0.00000000E+00 3.14159400E+00 0.00000000E+00 0.00000000E+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 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 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 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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 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 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 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 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 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) 9.44293233E+05 2.12601181E+03 1.39982777E-01 9.95480466E+05 2.56678134E+03 1.04308023E+06 2.01791425E+04 9.14716912E+00 2.27401052E+04 2.01823541E+02 8.82619071E+05 2.27577561E+03 9.24822270E+05 2.01619733E+04 8.19971662E+05 6.06829342E+05 1.02595236E+03 6.47841731E+05 1.12780457E+04 5.74393458E+05 3.79876399E+05 6.20665997E+04 5.94667300E+01 6.78771368E+04 8.79040886E+02 6.01816484E+04 3.69471530E+04 3.25969625E+03 7.44975864E+05 1.40467023E+03 7.91544157E+05 1.45985502E+04 7.01803794E+05 4.71003287E+05 4.66922514E+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 0.00000000E+00 8.96776989E+04 1.07193646E+02 9.71708117E+04 1.41077189E+03 8.61541883E+04 5.44261042E+04 4.98586848E+03 6.82786631E+04 0.00000000E+00 7.51607703E+03 2.01562190E+06 5.97860700E+03 2.09861767E+06 4.93469320E+04 1.86068943E+06 1.32911052E+06 1.42791446E+05 1.61587928E+06 0.00000000E+00 2.02461849E+05 4.19430400E+06 7.91627154E+04 8.90987508E+01 8.59947003E+04 1.21014911E+03 7.62451550E+04 4.77908183E+04 4.33325458E+03 6.00750218E+04 0.00000000E+00 6.55825601E+03 1.79647996E+05 5.71629601E+03 5.46147253E+04 4.90239937E+01 5.98885646E+04 7.50063100E+02 5.30987710E+04 3.23283631E+04 2.82099197E+03 4.09427581E+04 0.00000000E+00 4.33325458E+03 1.26338489E+05 3.76169105E+03 2.43828624E+03 6.58473870E+04 6.63368273E+01 7.18621074E+04 9.55000044E+02 6.37148278E+04 3.93690817E+04 3.50301067E+03 4.96707306E+04 0.00000000E+00 5.34045360E+03 1.50848032E+05 4.64559155E+03 3.03448006E+03 3.76169105E+03 5.89818288E+05 1.03954408E+03 6.28541240E+05 1.11851919E+04 5.57281136E+05 3.70622491E+05 3.63097246E+04 4.58874091E+05 0.00000000E+00 5.33379252E+04 1.28707992E+06 4.68711055E+04 3.17965283E+04 3.86654993E+04 3.61397723E+05 4.24594555E+04 3.20009193E+01 4.68930885E+04 5.37190941E+02 4.15766412E+04 2.47595516E+04 2.09814978E+03 3.15360051E+04 0.00000000E+00 3.25969625E+03 9.96589437E+04 2.82099197E+03 1.80748014E+03 2.26273716E+03 2.44050579E+04 1.32801250E+03 2.45746558E+06 8.41065839E+03 2.54188684E+06 6.46047669E+04 2.25370349E+06 1.64263766E+06 1.81087383E+05 1.98683736E+06 0.00000000E+00 2.54238516E+05 5.04534981E+06 2.26202022E+05 1.60682053E+05 1.90880272E+05 1.58759528E+06 1.27716552E+05 6.02589390E+06 %FLAG LENNARD_JONES_BCOEF %FORMAT(5E16.8) 8.01323529E+02 2.09604198E+01 9.37598976E-02 7.36907417E+02 2.06278363E+01 6.75612247E+02 6.45756063E+01 7.57919667E-01 6.13981767E+01 3.56012899E+00 6.53361429E+02 1.82891803E+01 5.99015525E+02 5.44372326E+01 5.31102864E+02 6.77220874E+02 1.53505284E+01 6.26720080E+02 5.08951803E+01 5.55666448E+02 5.64885984E+02 1.13252061E+02 1.93248820E+00 1.06076943E+02 7.42992380E+00 9.40505980E+01 9.21192136E+01 1.43076527E+01 7.50714425E+02 1.79702257E+01 6.93079947E+02 5.79323581E+01 6.14502845E+02 6.29300710E+02 1.03606917E+02 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 0.00000000E+00 1.36131731E+02 2.59456373E+00 1.26919150E+02 9.41257003E+00 1.12529845E+02 1.11805549E+02 1.76949863E+01 1.25287818E+02 0.00000000E+00 2.17257828E+01 1.28923404E+03 3.87070358E+01 1.17824605E+03 1.11203892E+02 1.04466382E+03 1.10369829E+03 1.89165096E+02 1.21753341E+03 0.00000000E+00 2.25248294E+02 2.04800000E+03 1.26451907E+02 2.33864085E+00 1.18043746E+02 8.61880722E+00 1.04660679E+02 1.03580945E+02 1.63092814E+01 1.16187983E+02 0.00000000E+00 2.00642027E+01 2.09772716E+02 1.85196588E+01 1.05031585E+02 1.73473071E+00 9.85097219E+01 6.78541827E+00 8.73413012E+01 8.51921330E+01 1.31591746E+01 9.59185913E+01 0.00000000E+00 1.63092814E+01 1.75916126E+02 1.50233639E+01 1.20953369E+01 1.15327881E+02 2.01792524E+00 1.07908863E+02 7.65648470E+00 9.56748258E+01 9.40124296E+01 1.46638650E+01 1.05648788E+02 0.00000000E+00 1.81057616E+01 1.92224012E+02 1.66953734E+01 1.34932874E+01 1.50233639E+01 6.33305958E+02 1.46567808E+01 5.85549272E+02 4.80771660E+01 5.19163331E+02 5.29252520E+02 8.66220817E+01 5.89183300E+02 0.00000000E+00 1.04986921E+02 1.03022002E+03 9.73010751E+01 8.01410250E+01 8.83744760E+01 4.95732238E+02 9.36708259E+01 1.41762397E+00 8.81685417E+01 5.80823477E+00 7.81725398E+01 7.54103785E+01 1.14788417E+01 8.51470647E+01 0.00000000E+00 1.43076527E+01 1.58033097E+02 1.31591746E+01 1.05333009E+01 1.17854122E+01 7.10161395E+01 9.13231543E+00 1.34630496E+03 4.34187588E+01 1.22636552E+03 1.20335756E+02 1.08732781E+03 1.16041466E+03 2.01468199E+02 1.27682121E+03 0.00000000E+00 2.38716853E+02 2.12431120E+03 2.22617115E+02 1.87626421E+02 2.04498832E+02 1.08210555E+03 1.69194406E+02 2.19561270E+03 %FLAG BONDS_INC_HYDROGEN %FORMAT(10I8) 12 15 3 12 18 3 0 3 5 0 6 5 0 9 5 33 36 7 33 39 7 27 30 8 69 72 10 60 63 11 60 66 11 54 57 7 48 51 8 120 123 14 120 126 14 120 129 14 108 111 14 108 114 14 108 117 14 102 105 15 93 96 17 93 99 17 87 90 7 81 84 8 168 171 7 159 162 14 159 165 14 150 153 14 150 156 14 141 144 21 141 147 21 201 204 10 192 195 11 192 198 11 186 189 7 180 183 8 252 255 14 252 258 14 252 261 14 243 246 17 243 249 17 231 234 14 231 237 14 231 240 14 225 228 15 219 222 7 213 216 8 291 294 17 291 297 17 282 285 17 282 288 17 276 279 7 270 273 8 351 354 8 351 357 8 336 339 17 336 342 17 327 330 17 327 333 17 321 324 7 315 318 8 399 402 21 399 405 21 399 408 21 387 390 11 387 393 11 378 381 17 378 384 17 372 375 7 366 369 8 456 459 14 456 462 14 456 465 14 444 447 14 444 450 14 444 453 14 438 441 15 429 432 17 429 435 17 423 426 7 417 420 8 486 489 14 486 492 14 486 495 14 480 483 7 474 477 8 516 519 14 516 522 14 516 525 14 510 513 7 504 507 8 561 564 8 561 567 8 546 549 17 546 552 17 540 543 7 534 537 8 606 609 7 597 600 14 597 603 14 588 591 14 588 594 14 579 582 21 579 585 21 624 627 7 624 630 7 618 621 8 687 690 5 687 693 5 687 696 5 678 681 31 678 684 31 669 672 33 669 675 33 660 663 33 660 666 33 651 654 33 651 657 33 645 648 7 639 642 8 735 738 10 723 726 14 723 729 14 723 732 14 717 720 36 711 714 7 705 708 8 777 780 7 768 771 14 768 774 14 759 762 14 759 765 14 750 753 21 750 756 21 828 831 14 828 834 14 828 837 14 819 822 17 819 825 17 807 810 14 807 813 14 807 816 14 801 804 15 795 798 7 789 792 8 867 870 10 858 861 11 858 864 11 852 855 7 846 849 8 918 921 14 918 924 14 918 927 14 906 909 14 906 912 14 906 915 14 900 903 15 891 894 17 891 897 17 885 888 7 879 882 8 975 978 14 975 981 14 975 984 14 963 966 14 963 969 14 963 972 14 957 960 15 948 951 17 948 954 17 942 945 7 936 939 8 1029 1032 8 1029 1035 8 1014 1017 17 1014 1020 17 1005 1008 17 1005 1011 17 999 1002 7 993 996 8 1065 1068 17 1065 1071 17 1056 1059 17 1056 1062 17 1050 1053 7 1044 1047 8 1140 1143 38 1134 1137 38 1128 1131 10 1119 1122 38 1113 1116 38 1101 1104 14 1101 1107 14 1095 1098 7 1089 1092 8 1158 1161 7 1158 1164 7 1152 1155 8 1203 1206 10 1191 1194 14 1191 1197 14 1191 1200 14 1185 1188 36 1179 1182 7 1173 1176 8 1272 1275 43 1272 1278 43 1263 1266 43 1263 1269 43 1254 1257 43 1245 1248 45 1245 1251 45 1236 1239 33 1236 1242 33 1227 1230 33 1227 1233 33 1221 1224 7 1215 1218 8 1326 1329 14 1326 1332 14 1326 1335 14 1317 1320 17 1317 1323 17 1305 1308 14 1305 1311 14 1305 1314 14 1299 1302 15 1293 1296 7 1287 1290 8 1350 1353 7 1350 1356 7 1344 1347 8 1413 1416 5 1413 1419 5 1413 1422 5 1404 1407 31 1404 1410 31 1395 1398 33 1395 1401 33 1386 1389 33 1386 1392 33 1377 1380 33 1377 1383 33 1371 1374 7 1365 1368 8 1461 1464 10 1449 1452 14 1449 1455 14 1449 1458 14 1443 1446 36 1437 1440 7 1431 1434 8 1503 1506 7 1494 1497 14 1494 1500 14 1485 1488 14 1485 1491 14 1476 1479 21 1476 1482 21 1545 1548 14 1545 1551 14 1545 1554 14 1533 1536 14 1533 1539 14 1533 1542 14 1527 1530 15 1521 1524 7 1515 1518 8 1614 1617 38 1608 1611 38 1602 1605 10 1593 1596 38 1587 1590 38 1575 1578 14 1575 1581 14 1569 1572 7 1563 1566 8 1638 1641 17 1638 1644 17 1632 1635 7 1626 1629 8 1701 1704 14 1701 1707 14 1701 1710 14 1689 1692 14 1689 1695 14 1689 1698 14 1683 1686 15 1674 1677 17 1674 1680 17 1668 1671 7 1662 1665 8 1758 1761 14 1758 1764 14 1758 1767 14 1746 1749 14 1746 1752 14 1746 1755 14 1740 1743 15 1731 1734 17 1731 1737 17 1725 1728 7 1719 1722 8 1824 1827 5 1824 1830 5 1824 1833 5 1815 1818 31 1815 1821 31 1806 1809 33 1806 1812 33 1797 1800 33 1797 1803 33 1788 1791 33 1788 1794 33 1782 1785 7 1776 1779 8 1854 1857 14 1854 1860 14 1854 1863 14 1848 1851 7 1842 1845 8 1893 1896 17 1893 1899 17 1884 1887 17 1884 1890 17 1878 1881 7 1872 1875 8 1923 1926 7 1923 1929 7 1917 1920 8 1974 1977 8 1974 1980 8 1959 1962 17 1959 1965 17 1950 1953 17 1950 1956 17 1944 1947 7 1938 1941 8 2001 2004 14 2001 2007 14 2001 2010 14 1995 1998 7 1989 1992 8 2058 2061 47 2052 2055 48 2046 2049 50 2031 2034 14 2031 2037 14 2025 2028 7 2019 2022 8 2106 2109 8 2106 2112 8 2091 2094 17 2091 2097 17 2082 2085 17 2082 2088 17 2076 2079 7 2070 2073 8 2151 2154 7 2142 2145 14 2142 2148 14 2133 2136 14 2133 2139 14 2124 2127 21 2124 2130 21 2190 2193 8 2190 2196 8 2175 2178 17 2175 2181 17 2169 2172 7 2163 2166 8 2253 2256 38 2247 2250 38 2241 2244 38 2235 2238 38 2229 2232 38 2217 2220 14 2217 2223 14 2211 2214 7 2205 2208 8 2295 2298 10 2283 2286 14 2283 2289 14 2283 2292 14 2277 2280 36 2271 2274 7 2265 2268 8 2355 2358 38 2349 2352 38 2343 2346 38 2337 2340 38 2331 2334 38 2319 2322 14 2319 2325 14 2313 2316 7 2307 2310 8 2424 2427 43 2424 2430 43 2415 2418 43 2415 2421 43 2406 2409 43 2397 2400 45 2397 2403 45 2388 2391 33 2388 2394 33 2379 2382 33 2379 2385 33 2373 2376 7 2367 2370 8 2469 2472 14 2469 2475 14 2469 2478 14 2457 2460 14 2457 2463 14 2457 2466 14 2451 2454 15 2445 2448 7 2439 2442 8 2517 2520 10 2505 2508 14 2505 2511 14 2505 2514 14 2499 2502 36 2493 2496 7 2487 2490 8 2559 2562 14 2559 2565 14 2559 2568 14 2547 2550 14 2547 2553 14 2547 2556 14 2541 2544 15 2535 2538 7 2529 2532 8 2583 2586 7 2583 2589 7 2577 2580 8 2610 2613 17 2610 2616 17 2604 2607 7 2598 2601 8 2664 2667 10 2652 2655 14 2652 2658 14 2652 2661 14 2646 2649 36 2640 2643 7 2634 2637 8 2697 2700 10 2688 2691 11 2688 2694 11 2682 2685 7 2676 2679 8 2730 2733 56 2721 2724 11 2721 2727 11 2715 2718 7 2709 2712 8 2772 2775 10 2760 2763 14 2760 2766 14 2760 2769 14 2754 2757 36 2748 2751 7 2742 2745 8 2790 2793 7 2790 2796 7 2784 2787 8 2841 2844 8 2841 2847 8 2826 2829 17 2826 2832 17 2817 2820 17 2817 2823 17 2811 2814 7 2805 2808 8 2862 2865 7 2862 2868 7 2856 2859 8 2907 2910 7 2898 2901 14 2898 2904 14 2889 2892 14 2889 2895 14 2880 2883 21 2880 2886 21 2940 2943 10 2931 2934 11 2931 2937 11 2925 2928 7 2919 2922 8 3000 3003 5 3000 3006 5 3000 3009 5 2991 2994 31 2991 2997 31 2982 2985 33 2982 2988 33 2973 2976 33 2973 2979 33 2964 2967 33 2964 2970 33 2958 2961 7 2952 2955 8 3066 3069 5 3066 3072 5 3066 3075 5 3057 3060 31 3057 3063 31 3048 3051 33 3048 3054 33 3039 3042 33 3039 3045 33 3030 3033 33 3030 3036 33 3024 3027 7 3018 3021 8 3096 3099 14 3096 3102 14 3096 3105 14 3090 3093 7 3084 3087 8 3126 3129 14 3126 3132 14 3126 3135 14 3120 3123 7 3114 3117 8 3192 3195 5 3192 3198 5 3192 3201 5 3183 3186 31 3183 3189 31 3174 3177 33 3174 3180 33 3165 3168 33 3165 3171 33 3156 3159 33 3156 3162 33 3150 3153 7 3144 3147 8 3249 3252 47 3243 3246 48 3237 3240 50 3222 3225 14 3222 3228 14 3216 3219 7 3210 3213 8 3309 3312 5 3309 3315 5 3309 3318 5 3300 3303 31 3300 3306 31 3291 3294 33 3291 3297 33 3282 3285 33 3282 3288 33 3273 3276 33 3273 3279 33 3267 3270 7 3261 3264 8 3339 3342 14 3339 3345 14 3339 3348 14 3333 3336 7 3327 3330 8 3369 3372 14 3369 3375 14 3369 3378 14 3363 3366 7 3357 3360 8 3408 3411 17 3408 3414 17 3399 3402 17 3399 3405 17 3393 3396 7 3387 3390 8 3462 3465 14 3462 3468 14 3462 3471 14 3450 3453 14 3450 3456 14 3450 3459 14 3444 3447 15 3438 3441 7 3432 3435 8 3492 3495 14 3492 3498 14 3492 3501 14 3486 3489 7 3480 3483 8 3549 3552 14 3549 3555 14 3549 3558 14 3537 3540 14 3537 3543 14 3537 3546 14 3531 3534 15 3522 3525 17 3522 3528 17 3516 3519 7 3510 3513 8 3615 3618 5 3615 3621 5 3615 3624 5 3606 3609 31 3606 3612 31 3597 3600 33 3597 3603 33 3588 3591 33 3588 3594 33 3579 3582 33 3579 3585 33 3573 3576 7 3567 3570 8 3672 3675 47 3666 3669 48 3660 3663 50 3645 3648 14 3645 3651 14 3639 3642 7 3633 3636 8 3723 3726 14 3723 3729 14 3723 3732 14 3711 3714 14 3711 3717 14 3711 3720 14 3705 3708 15 3696 3699 17 3696 3702 17 3690 3693 7 3684 3687 8 3789 3792 5 3789 3795 5 3789 3798 5 3780 3783 31 3780 3786 31 3771 3774 33 3771 3777 33 3762 3765 33 3762 3768 33 3753 3756 33 3753 3759 33 3747 3750 7 3741 3744 8 3813 3816 7 3813 3819 7 3807 3810 8 3858 3861 56 3849 3852 11 3849 3855 11 3843 3846 3 3831 3834 5 3831 3837 5 3831 3840 5 3897 3900 8 3897 3903 8 3882 3885 17 3882 3888 17 3876 3879 7 3870 3873 8 3942 3945 7 3933 3936 14 3933 3939 14 3924 3927 14 3924 3930 14 3915 3918 21 3915 3921 21 3984 3987 14 3984 3990 14 3984 3993 14 3972 3975 14 3972 3978 14 3972 3981 14 3966 3969 15 3960 3963 7 3954 3957 8 4008 4011 7 4008 4014 7 4002 4005 8 4035 4038 14 4035 4041 14 4035 4044 14 4029 4032 7 4023 4026 8 4092 4095 14 4092 4098 14 4092 4101 14 4080 4083 14 4080 4086 14 4080 4089 14 4074 4077 15 4065 4068 17 4065 4071 17 4059 4062 7 4053 4056 8 4146 4149 8 4146 4152 8 4131 4134 17 4131 4137 17 4122 4125 17 4122 4128 17 4116 4119 7 4110 4113 8 4182 4185 17 4182 4188 17 4173 4176 17 4173 4179 17 4167 4170 7 4161 4164 8 4245 4248 14 4245 4251 14 4245 4254 14 4233 4236 14 4233 4239 14 4233 4242 14 4227 4230 15 4218 4221 17 4218 4224 17 4212 4215 7 4206 4209 8 4293 4296 14 4293 4299 14 4293 4302 14 4281 4284 14 4281 4287 14 4281 4290 14 4275 4278 15 4269 4272 7 4263 4266 8 4341 4344 14 4341 4347 14 4341 4350 14 4329 4332 14 4329 4335 14 4329 4338 14 4323 4326 15 4317 4320 7 4311 4314 8 4395 4398 8 4395 4401 8 4380 4383 17 4380 4386 17 4371 4374 17 4371 4377 17 4365 4368 7 4359 4362 8 4458 4461 5 4458 4464 5 4458 4467 5 4449 4452 31 4449 4455 31 4440 4443 33 4440 4446 33 4431 4434 33 4431 4437 33 4422 4425 33 4422 4428 33 4416 4419 7 4410 4413 8 4482 4485 7 4482 4488 7 4476 4479 8 4554 4557 38 4548 4551 38 4542 4545 38 4536 4539 38 4527 4530 48 4521 4524 47 4509 4512 14 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9390 85 9378 9381 76 9369 9372 21 9360 9363 21 9360 9366 21 9531 9534 10 9525 9528 21 9519 9522 21 9501 9504 43 9501 9507 43 9492 9495 70 9486 9489 72 9477 9480 76 9468 9471 21 9459 9462 21 9459 9465 21 9633 9636 10 9627 9630 21 9621 9624 21 9606 9609 43 9606 9612 43 9597 9600 48 9579 9582 85 9570 9573 76 9561 9564 21 9552 9555 21 9552 9558 21 9735 9738 10 9729 9732 21 9723 9726 21 9708 9711 43 9708 9714 43 9699 9702 48 9681 9684 85 9672 9675 76 9663 9666 21 9654 9657 21 9654 9660 21 9834 9837 10 9828 9831 21 9822 9825 21 9810 9813 80 9798 9801 43 9798 9804 43 9783 9786 85 9774 9777 76 9765 9768 21 9756 9759 21 9756 9762 21 9933 9936 10 9927 9930 21 9921 9924 21 9909 9912 80 9897 9900 43 9897 9903 43 9882 9885 85 9873 9876 76 9864 9867 21 9855 9858 21 9855 9861 21 10023 10026 10 10017 10020 21 10011 10014 21 9999 10002 48 9987 9990 70 9981 9984 72 9972 9975 76 9963 9966 21 9954 9957 21 9954 9960 21 10122 10125 10 10116 10119 21 10110 10113 21 10098 10101 80 10086 10089 43 10086 10092 43 10071 10074 85 10062 10065 76 10053 10056 21 10044 10047 21 10044 10050 21 10224 10227 10 10218 10221 21 10212 10215 21 10197 10200 43 10197 10203 43 10188 10191 48 10170 10173 85 10161 10164 76 10152 10155 21 10143 10146 21 10143 10149 21 10323 10326 10 10317 10320 21 10311 10314 21 10299 10302 80 10287 10290 43 10287 10293 43 10272 10275 85 10263 10266 76 10254 10257 21 10245 10248 21 10245 10251 21 10413 10416 10 10407 10410 21 10401 10404 21 10389 10392 48 10377 10380 70 10371 10374 72 10362 10365 76 10353 10356 21 10344 10347 21 10344 10350 21 10512 10515 10 10506 10509 21 10500 10503 21 10488 10491 80 10476 10479 43 10476 10482 43 10461 10464 85 10452 10455 76 10443 10446 21 10434 10437 21 10434 10440 21 10611 10614 10 10605 10608 21 10599 10602 21 10587 10590 80 10575 10578 43 10575 10581 43 10560 10563 85 10551 10554 76 10542 10545 21 10533 10536 21 10533 10539 21 10701 10704 10 10695 10698 21 10689 10692 21 10677 10680 48 10665 10668 70 10659 10662 72 10650 10653 76 10641 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132 138 2 102 108 16 102 120 16 93 102 18 87 93 13 87 132 4 81 87 9 174 177 1 174 180 2 168 174 4 159 168 19 150 159 20 141 150 20 138 141 22 138 168 9 207 210 1 207 213 2 192 201 12 186 192 13 186 207 4 180 186 9 264 267 1 264 270 2 243 252 23 225 231 16 225 243 18 219 225 24 219 264 4 213 219 9 309 312 1 309 315 2 300 303 25 300 306 25 291 300 26 282 291 27 276 282 13 276 309 4 270 276 9 360 363 1 360 366 2 345 348 1 345 351 2 336 345 28 327 336 27 321 327 13 321 360 4 315 321 9 411 414 1 411 417 2 396 399 29 387 396 30 378 387 27 372 378 13 372 411 4 366 372 9 468 471 1 468 474 2 438 444 16 438 456 16 429 438 18 423 429 13 423 468 4 417 423 9 498 501 1 498 504 2 480 486 19 480 498 4 474 480 9 528 531 1 528 534 2 510 516 19 510 528 4 504 510 9 570 573 1 570 576 2 555 558 1 555 561 2 546 555 28 540 546 13 540 570 4 534 540 9 612 615 1 612 618 2 606 612 4 597 606 19 588 597 20 579 588 20 576 579 22 576 606 9 633 636 1 633 639 2 624 633 4 618 624 9 699 702 1 699 705 2 678 687 32 669 678 34 660 669 34 651 660 34 645 651 35 645 699 4 639 645 9 741 744 1 741 747 2 717 723 16 717 735 37 711 717 24 711 741 4 705 711 9 783 786 1 783 789 2 777 783 4 768 777 19 759 768 20 750 759 20 747 750 22 747 777 9 840 843 1 840 846 2 819 828 23 801 807 16 801 819 18 795 801 24 795 840 4 789 795 9 873 876 1 873 879 2 858 867 12 852 858 13 852 873 4 846 852 9 930 933 1 930 936 2 900 906 16 900 918 16 891 900 18 885 891 13 885 930 4 879 885 9 987 990 1 987 993 2 957 963 16 957 975 16 948 957 18 942 948 13 942 987 4 936 942 9 1038 1041 1 1038 1044 2 1023 1026 1 1023 1029 2 1014 1023 28 1005 1014 27 999 1005 13 999 1038 4 993 999 9 1083 1086 1 1083 1089 2 1074 1077 25 1074 1080 25 1065 1074 26 1056 1065 27 1050 1056 13 1050 1083 4 1044 1050 9 1146 1149 1 1146 1152 2 1134 1140 39 1125 1128 40 1125 1134 41 1119 1125 41 1113 1119 39 1110 1113 39 1110 1140 39 1101 1110 42 1095 1101 19 1095 1146 4 1089 1095 9 1167 1170 1 1167 1173 2 1158 1167 4 1152 1158 9 1209 1212 1 1209 1215 2 1185 1191 16 1185 1203 37 1179 1185 24 1179 1209 4 1173 1179 9 1281 1284 1 1281 1287 2 1260 1263 44 1260 1272 44 1254 1260 44 1245 1254 46 1236 1245 34 1227 1236 34 1221 1227 35 1221 1281 4 1215 1221 9 1338 1341 1 1338 1344 2 1317 1326 23 1299 1305 16 1299 1317 18 1293 1299 24 1293 1338 4 1287 1293 9 1359 1362 1 1359 1365 2 1350 1359 4 1344 1350 9 1425 1428 1 1425 1431 2 1404 1413 32 1395 1404 34 1386 1395 34 1377 1386 34 1371 1377 35 1371 1425 4 1365 1371 9 1467 1470 1 1467 1473 2 1443 1449 16 1443 1461 37 1437 1443 24 1437 1467 4 1431 1437 9 1509 1512 1 1509 1515 2 1503 1509 4 1494 1503 19 1485 1494 20 1476 1485 20 1473 1476 22 1473 1503 9 1557 1560 1 1557 1563 2 1527 1533 16 1527 1545 16 1521 1527 24 1521 1557 4 1515 1521 9 1620 1623 1 1620 1626 2 1608 1614 39 1599 1602 40 1599 1608 41 1593 1599 41 1587 1593 39 1584 1587 39 1584 1614 39 1575 1584 42 1569 1575 19 1569 1620 4 1563 1569 9 1656 1659 1 1656 1662 2 1647 1650 25 1647 1653 25 1638 1647 26 1632 1638 13 1632 1656 4 1626 1632 9 1713 1716 1 1713 1719 2 1683 1689 16 1683 1701 16 1674 1683 18 1668 1674 13 1668 1713 4 1662 1668 9 1770 1773 1 1770 1776 2 1740 1746 16 1740 1758 16 1731 1740 18 1725 1731 13 1725 1770 4 1719 1725 9 1836 1839 1 1836 1842 2 1815 1824 32 1806 1815 34 1797 1806 34 1788 1797 34 1782 1788 35 1782 1836 4 1776 1782 9 1866 1869 1 1866 1872 2 1848 1854 19 1848 1866 4 1842 1848 9 1911 1914 1 1911 1917 2 1902 1905 25 1902 1908 25 1893 1902 26 1884 1893 27 1878 1884 13 1878 1911 4 1872 1878 9 1932 1935 1 1932 1938 2 1923 1932 4 1917 1923 9 1983 1986 1 1983 1989 2 1968 1971 1 1968 1974 2 1959 1968 28 1950 1959 27 1944 1950 13 1944 1983 4 1938 1944 9 2013 2016 1 2013 2019 2 1995 2001 19 1995 2013 4 1989 1995 9 2064 2067 1 2064 2070 2 2052 2058 49 2046 2052 51 2043 2046 52 2040 2043 53 2040 2058 54 2031 2040 55 2025 2031 19 2025 2064 4 2019 2025 9 2115 2118 1 2115 2121 2 2100 2103 1 2100 2106 2 2091 2100 28 2082 2091 27 2076 2082 13 2076 2115 4 2070 2076 9 2157 2160 1 2157 2163 2 2151 2157 4 2142 2151 19 2133 2142 20 2124 2133 20 2121 2124 22 2121 2151 9 2199 2202 1 2199 2205 2 2184 2187 1 2184 2190 2 2175 2184 28 2169 2175 13 2169 2199 4 2163 2169 9 2259 2262 1 2259 2265 2 2247 2253 39 2241 2247 39 2235 2241 39 2229 2235 39 2226 2229 39 2226 2253 39 2217 2226 42 2211 2217 19 2211 2259 4 2205 2211 9 2301 2304 1 2301 2307 2 2277 2283 16 2277 2295 37 2271 2277 24 2271 2301 4 2265 2271 9 2361 2364 1 2361 2367 2 2349 2355 39 2343 2349 39 2337 2343 39 2331 2337 39 2328 2331 39 2328 2355 39 2319 2328 42 2313 2319 19 2313 2361 4 2307 2313 9 2433 2436 1 2433 2439 2 2412 2415 44 2412 2424 44 2406 2412 44 2397 2406 46 2388 2397 34 2379 2388 34 2373 2379 35 2373 2433 4 2367 2373 9 2481 2484 1 2481 2487 2 2451 2457 16 2451 2469 16 2445 2451 24 2445 2481 4 2439 2445 9 2523 2526 1 2523 2529 2 2499 2505 16 2499 2517 37 2493 2499 24 2493 2523 4 2487 2493 9 2571 2574 1 2571 2577 2 2541 2547 16 2541 2559 16 2535 2541 24 2535 2571 4 2529 2535 9 2592 2595 1 2592 2598 2 2583 2592 4 2577 2583 9 2628 2631 1 2628 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10620 10623 78 10620 10626 78 10620 10629 66 10797 10800 66 10785 10791 67 10779 10785 20 10779 10797 68 10773 10776 1 10767 10773 69 10761 10764 1 10761 10767 69 10755 10761 71 10749 10755 73 10746 10749 74 10746 10773 75 10740 10746 77 10740 10785 20 10737 10740 68 10731 10737 68 10731 10779 20 10722 10731 20 10719 10722 68 10710 10713 78 10710 10716 78 10710 10719 66 10896 10899 66 10884 10890 67 10878 10884 20 10878 10896 68 10872 10875 79 10866 10872 81 10863 10866 81 10851 10854 44 10851 10863 82 10848 10851 59 10848 10875 83 10845 10848 84 10839 10845 86 10836 10839 87 10836 10875 88 10830 10836 77 10830 10884 20 10827 10830 68 10821 10827 68 10821 10878 20 10812 10821 20 10809 10812 68 10800 10803 78 10800 10806 78 10800 10809 66 10995 10998 66 10983 10989 67 10977 10983 20 10977 10995 68 10971 10974 79 10965 10971 81 10962 10965 81 10950 10953 44 10950 10962 82 10947 10950 59 10947 10974 83 10944 10947 84 10938 10944 86 10935 10938 87 10935 10974 88 10929 10935 77 10929 10983 20 10926 10929 68 10920 10926 68 10920 10977 20 10911 10920 20 10908 10911 68 10899 10902 78 10899 10905 78 10899 10908 66 11085 11088 66 11073 11079 67 11067 11073 20 11067 11085 68 11061 11064 1 11055 11061 69 11049 11052 1 11049 11055 69 11043 11049 71 11037 11043 73 11034 11037 74 11034 11061 75 11028 11034 77 11028 11073 20 11025 11028 68 11019 11025 68 11019 11067 20 11010 11019 20 11007 11010 68 10998 11001 78 10998 11004 78 10998 11007 66 11163 11169 67 11157 11163 20 11157 11175 67 11151 11154 1 11145 11151 69 11139 11142 1 11139 11145 69 11133 11139 71 11127 11133 73 11124 11127 74 11124 11151 75 11118 11124 77 11118 11163 20 11115 11118 68 11109 11115 68 11109 11157 20 11100 11109 20 11097 11100 68 11088 11091 78 11088 11094 78 11088 11097 66 %FLAG ANGLES_INC_HYDROGEN %FORMAT(10I8) 21 27 30 2 18 12 21 4 15 12 18 5 15 12 21 4 9 0 12 8 6 0 9 9 6 0 12 8 3 0 6 9 3 0 9 9 3 0 12 8 0 12 15 10 0 12 18 10 42 48 51 2 39 33 42 12 36 33 39 13 36 33 42 12 30 27 33 14 27 33 36 15 27 33 39 15 75 81 84 2 66 60 69 17 63 60 66 18 63 60 69 17 60 69 72 20 57 54 60 21 57 54 75 12 54 60 63 22 54 60 66 22 51 48 54 14 48 54 57 15 126 120 129 26 123 120 126 26 123 120 129 26 114 108 117 26 111 108 114 26 111 108 117 26 105 102 108 28 105 102 120 28 102 108 111 29 102 108 114 29 102 108 117 29 102 120 123 29 102 120 126 29 102 120 129 29 99 93 102 30 96 93 99 31 96 93 102 30 93 102 105 32 90 87 93 21 90 87 132 12 87 93 96 34 87 93 99 34 84 81 87 14 81 87 90 15 174 180 183 2 171 168 174 12 165 159 168 36 162 159 165 26 162 159 168 36 159 168 171 37 156 150 159 39 153 150 156 26 153 150 159 39 150 159 162 39 150 159 165 39 147 141 150 41 144 141 147 42 144 141 150 41 141 150 153 39 141 150 156 39 138 141 144 45 138 141 147 45 138 168 171 15 207 213 216 2 198 192 201 17 195 192 198 18 195 192 201 17 192 201 204 20 189 186 192 21 189 186 207 12 186 192 195 22 186 192 198 22 183 180 186 14 180 186 189 15 264 270 273 2 258 252 261 26 255 252 258 26 255 252 261 26 249 243 252 48 246 243 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720 91 708 705 711 14 705 711 714 15 783 789 792 2 780 777 783 12 774 768 777 36 771 768 774 26 771 768 777 36 768 777 780 37 765 759 768 39 762 759 765 26 762 759 768 39 759 768 771 39 759 768 774 39 756 750 759 41 753 750 756 42 753 750 759 41 750 759 762 39 750 759 765 39 747 750 753 45 747 750 756 45 747 777 780 15 840 846 849 2 834 828 837 26 831 828 834 26 831 828 837 26 825 819 828 48 822 819 825 31 822 819 828 48 819 828 831 49 819 828 834 49 819 828 837 49 813 807 816 26 810 807 813 26 810 807 816 26 804 801 807 28 804 801 819 32 801 807 810 29 801 807 813 29 801 807 816 29 801 819 822 30 801 819 825 30 798 795 801 52 798 795 840 12 795 801 804 53 792 789 795 14 789 795 798 15 873 879 882 2 864 858 867 17 861 858 864 18 861 858 867 17 858 867 870 20 855 852 858 21 855 852 873 12 852 858 861 22 852 858 864 22 849 846 852 14 846 852 855 15 930 936 939 2 924 918 927 26 921 918 924 26 921 918 927 26 912 906 915 26 909 906 912 26 909 906 915 26 903 900 906 28 903 900 918 28 900 906 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8301 41 8247 8241 8250 41 8244 8241 8247 42 8244 8241 8250 41 8241 8250 8253 41 8238 8241 8244 159 8238 8241 8247 159 8397 8394 8400 156 8394 8400 8403 158 8391 8388 8394 41 8391 8388 8406 159 8388 8394 8397 41 8379 8376 8382 162 8370 8376 8379 162 8367 8364 8370 165 8361 8358 8364 168 8358 8364 8367 170 8355 8358 8361 173 8352 8349 8355 177 8352 8349 8394 178 8349 8394 8397 41 8346 8349 8352 181 8343 8340 8346 159 8343 8340 8388 41 8340 8388 8391 41 8337 8331 8340 41 8334 8331 8337 42 8334 8331 8340 41 8331 8340 8343 41 8328 8331 8334 159 8328 8331 8337 159 8490 8487 8493 156 8487 8493 8496 158 8484 8481 8487 41 8484 8481 8499 159 8481 8487 8490 41 8466 8463 8469 103 8460 8463 8466 105 8460 8463 8469 105 8457 8454 8460 207 8451 8448 8454 168 8448 8454 8457 170 8445 8448 8451 173 8442 8439 8445 177 8442 8439 8487 178 8439 8487 8490 41 8436 8439 8442 181 8433 8430 8436 159 8433 8430 8481 41 8430 8481 8484 41 8427 8421 8430 41 8424 8421 8427 42 8424 8421 8430 41 8421 8430 8433 41 8418 8421 8424 159 8418 8421 8427 159 8583 8580 8586 156 8580 8586 8589 158 8577 8574 8580 41 8577 8574 8592 159 8574 8580 8583 41 8559 8556 8562 103 8553 8556 8559 105 8553 8556 8562 105 8550 8547 8553 207 8544 8541 8547 168 8541 8547 8550 170 8538 8541 8544 173 8535 8532 8538 177 8535 8532 8580 178 8532 8580 8583 41 8529 8532 8535 181 8526 8523 8529 159 8526 8523 8574 41 8523 8574 8577 41 8520 8514 8523 41 8517 8514 8520 42 8517 8514 8523 41 8514 8523 8526 41 8511 8514 8517 159 8511 8514 8520 159 8685 8682 8688 156 8682 8688 8691 158 8679 8676 8682 41 8679 8676 8694 159 8676 8682 8685 41 8664 8661 8667 103 8658 8661 8664 105 8658 8661 8667 105 8655 8652 8658 213 8646 8652 8655 162 8637 8634 8640 196 8631 8634 8637 199 8628 8625 8631 177 8628 8625 8682 178 8625 8682 8685 41 8622 8625 8628 181 8619 8616 8622 159 8619 8616 8676 41 8616 8676 8679 41 8613 8607 8616 41 8610 8607 8613 42 8610 8607 8616 41 8607 8616 8619 41 8604 8607 8610 159 8604 8607 8613 159 8775 8772 8778 156 8772 8778 8781 158 8769 8766 8772 41 8769 8766 8784 159 8766 8772 8775 41 8757 8754 8760 162 8748 8754 8757 162 8745 8742 8748 165 8739 8736 8742 168 8736 8742 8745 170 8733 8736 8739 173 8730 8727 8733 177 8730 8727 8772 178 8727 8772 8775 41 8724 8727 8730 181 8721 8718 8724 159 8721 8718 8766 41 8718 8766 8769 41 8715 8709 8718 41 8712 8709 8715 42 8712 8709 8718 41 8709 8718 8721 41 8706 8709 8712 159 8706 8709 8715 159 8874 8871 8877 156 8871 8877 8880 158 8868 8865 8871 41 8868 8865 8883 159 8865 8871 8874 41 8856 8853 8859 185 8850 8853 8856 185 8844 8841 8847 103 8838 8841 8844 105 8838 8841 8847 105 8829 8826 8832 196 8823 8826 8829 199 8820 8817 8823 177 8820 8817 8871 178 8817 8871 8874 41 8814 8817 8820 181 8811 8808 8814 159 8811 8808 8865 41 8808 8865 8868 41 8805 8799 8808 41 8802 8799 8805 42 8802 8799 8808 41 8799 8808 8811 41 8796 8799 8802 159 8796 8799 8805 159 8967 8964 8970 156 8964 8970 8973 158 8961 8958 8964 41 8961 8958 8976 159 8958 8964 8967 41 8943 8940 8946 103 8937 8940 8943 105 8937 8940 8946 105 8934 8931 8937 207 8928 8925 8931 168 8925 8931 8934 170 8922 8925 8928 173 8919 8916 8922 177 8919 8916 8964 178 8916 8964 8967 41 8913 8916 8919 181 8910 8907 8913 159 8910 8907 8958 41 8907 8958 8961 41 8904 8898 8907 41 8901 8898 8904 42 8901 8898 8907 41 8898 8907 8910 41 8895 8898 8901 159 8895 8898 8904 159 9057 9054 9060 156 9054 9060 9063 158 9051 9048 9054 41 9051 9048 9066 159 9048 9054 9057 41 9039 9036 9042 162 9030 9036 9039 162 9027 9024 9030 165 9021 9018 9024 168 9018 9024 9027 170 9015 9018 9021 173 9012 9009 9015 177 9012 9009 9054 178 9009 9054 9057 41 9006 9009 9012 181 9003 9000 9006 159 9003 9000 9048 41 9000 9048 9051 41 8997 8991 9000 41 8994 8991 8997 42 8994 8991 9000 41 8991 9000 9003 41 8988 8991 8994 159 8988 8991 8997 159 9147 9144 9150 156 9144 9150 9153 158 9141 9138 9144 41 9141 9138 9156 156 9138 9144 9147 41 9138 9156 9159 158 9129 9126 9132 162 9120 9126 9129 162 9117 9114 9120 165 9111 9108 9114 168 9108 9114 9117 170 9105 9108 9111 173 9102 9099 9105 177 9102 9099 9144 178 9099 9144 9147 41 9096 9099 9102 181 9093 9090 9096 159 9093 9090 9138 41 9090 9138 9141 41 9087 9081 9090 41 9084 9081 9087 42 9084 9081 9090 41 9081 9090 9093 41 9078 9081 9084 159 9078 9081 9087 159 9246 9243 9249 156 9243 9249 9252 158 9240 9237 9243 41 9240 9237 9255 159 9237 9243 9246 41 9225 9222 9228 103 9219 9222 9225 105 9219 9222 9228 105 9216 9213 9219 213 9207 9213 9216 162 9198 9195 9201 196 9192 9195 9198 199 9189 9186 9192 177 9189 9186 9243 178 9186 9243 9246 41 9183 9186 9189 181 9180 9177 9183 159 9180 9177 9237 41 9177 9237 9240 41 9174 9168 9177 41 9171 9168 9174 42 9171 9168 9177 41 9168 9177 9180 41 9165 9168 9171 156 9165 9168 9174 156 9162 9165 9168 158 9336 9333 9339 156 9333 9339 9342 158 9330 9327 9333 41 9330 9327 9345 159 9327 9333 9336 41 9318 9315 9321 162 9309 9315 9318 162 9306 9303 9309 165 9300 9297 9303 168 9297 9303 9306 170 9294 9297 9300 173 9291 9288 9294 177 9291 9288 9333 178 9288 9333 9336 41 9285 9288 9291 181 9282 9279 9285 159 9282 9279 9327 41 9279 9327 9330 41 9276 9270 9279 41 9273 9270 9276 42 9273 9270 9279 41 9270 9279 9282 41 9267 9270 9273 159 9267 9270 9276 159 9435 9432 9438 156 9432 9438 9441 158 9429 9426 9432 41 9429 9426 9444 159 9426 9432 9435 41 9417 9414 9420 185 9411 9414 9417 185 9405 9402 9408 103 9399 9402 9405 105 9399 9402 9408 105 9390 9387 9393 196 9384 9387 9390 199 9381 9378 9384 177 9381 9378 9432 178 9378 9432 9435 41 9375 9378 9381 181 9372 9369 9375 159 9372 9369 9426 41 9369 9426 9429 41 9366 9360 9369 41 9363 9360 9366 42 9363 9360 9369 41 9360 9369 9372 41 9357 9360 9363 159 9357 9360 9366 159 9528 9525 9531 156 9525 9531 9534 158 9522 9519 9525 41 9522 9519 9537 159 9519 9525 9528 41 9504 9501 9507 103 9498 9501 9504 105 9498 9501 9507 105 9495 9492 9498 207 9489 9486 9492 168 9486 9492 9495 170 9483 9486 9489 173 9480 9477 9483 177 9480 9477 9525 178 9477 9525 9528 41 9474 9477 9480 181 9471 9468 9474 159 9471 9468 9519 41 9468 9519 9522 41 9465 9459 9468 41 9462 9459 9465 42 9462 9459 9468 41 9459 9468 9471 41 9456 9459 9462 159 9456 9459 9465 159 9630 9627 9633 156 9627 9633 9636 158 9624 9621 9627 41 9624 9621 9639 159 9621 9627 9630 41 9609 9606 9612 103 9603 9606 9609 105 9603 9606 9612 105 9600 9597 9603 213 9591 9597 9600 162 9582 9579 9585 196 9576 9579 9582 199 9573 9570 9576 177 9573 9570 9627 178 9570 9627 9630 41 9567 9570 9573 181 9564 9561 9567 159 9564 9561 9621 41 9561 9621 9624 41 9558 9552 9561 41 9555 9552 9558 42 9555 9552 9561 41 9552 9561 9564 41 9549 9552 9555 159 9549 9552 9558 159 9732 9729 9735 156 9729 9735 9738 158 9726 9723 9729 41 9726 9723 9741 159 9723 9729 9732 41 9711 9708 9714 103 9705 9708 9711 105 9705 9708 9714 105 9702 9699 9705 213 9693 9699 9702 162 9684 9681 9687 196 9678 9681 9684 199 9675 9672 9678 177 9675 9672 9729 178 9672 9729 9732 41 9669 9672 9675 181 9666 9663 9669 159 9666 9663 9723 41 9663 9723 9726 41 9660 9654 9663 41 9657 9654 9660 42 9657 9654 9663 41 9654 9663 9666 41 9651 9654 9657 159 9651 9654 9660 159 9831 9828 9834 156 9828 9834 9837 158 9825 9822 9828 41 9825 9822 9840 159 9822 9828 9831 41 9813 9810 9816 185 9807 9810 9813 185 9801 9798 9804 103 9795 9798 9801 105 9795 9798 9804 105 9786 9783 9789 196 9780 9783 9786 199 9777 9774 9780 177 9777 9774 9828 178 9774 9828 9831 41 9771 9774 9777 181 9768 9765 9771 159 9768 9765 9822 41 9765 9822 9825 41 9762 9756 9765 41 9759 9756 9762 42 9759 9756 9765 41 9756 9765 9768 41 9753 9756 9759 159 9753 9756 9762 159 9930 9927 9933 156 9927 9933 9936 158 9924 9921 9927 41 9924 9921 9939 159 9921 9927 9930 41 9912 9909 9915 185 9906 9909 9912 185 9900 9897 9903 103 9894 9897 9900 105 9894 9897 9903 105 9885 9882 9888 196 9879 9882 9885 199 9876 9873 9879 177 9876 9873 9927 178 9873 9927 9930 41 9870 9873 9876 181 9867 9864 9870 159 9867 9864 9921 41 9864 9921 9924 41 9861 9855 9864 41 9858 9855 9861 42 9858 9855 9864 41 9855 9864 9867 41 9852 9855 9858 159 9852 9855 9861 159 10020 10017 10023 156 10017 10023 10026 158 10014 10011 10017 41 10014 10011 10029 159 10011 10017 10020 41 10002 9999 10005 162 9993 9999 10002 162 9990 9987 9993 165 9984 9981 9987 168 9981 9987 9990 170 9978 9981 9984 173 9975 9972 9978 177 9975 9972 10017 178 9972 10017 10020 41 9969 9972 9975 181 9966 9963 9969 159 9966 9963 10011 41 9963 10011 10014 41 9960 9954 9963 41 9957 9954 9960 42 9957 9954 9963 41 9954 9963 9966 41 9951 9954 9957 159 9951 9954 9960 159 10119 10116 10122 156 10116 10122 10125 158 10113 10110 10116 41 10113 10110 10128 159 10110 10116 10119 41 10101 10098 10104 185 10095 10098 10101 185 10089 10086 10092 103 10083 10086 10089 105 10083 10086 10092 105 10074 10071 10077 196 10068 10071 10074 199 10065 10062 10068 177 10065 10062 10116 178 10062 10116 10119 41 10059 10062 10065 181 10056 10053 10059 159 10056 10053 10110 41 10053 10110 10113 41 10050 10044 10053 41 10047 10044 10050 42 10047 10044 10053 41 10044 10053 10056 41 10041 10044 10047 159 10041 10044 10050 159 10221 10218 10224 156 10218 10224 10227 158 10215 10212 10218 41 10215 10212 10230 159 10212 10218 10221 41 10200 10197 10203 103 10194 10197 10200 105 10194 10197 10203 105 10191 10188 10194 213 10182 10188 10191 162 10173 10170 10176 196 10167 10170 10173 199 10164 10161 10167 177 10164 10161 10218 178 10161 10218 10221 41 10158 10161 10164 181 10155 10152 10158 159 10155 10152 10212 41 10152 10212 10215 41 10149 10143 10152 41 10146 10143 10149 42 10146 10143 10152 41 10143 10152 10155 41 10140 10143 10146 159 10140 10143 10149 159 10320 10317 10323 156 10317 10323 10326 158 10314 10311 10317 41 10314 10311 10329 159 10311 10317 10320 41 10302 10299 10305 185 10296 10299 10302 185 10290 10287 10293 103 10284 10287 10290 105 10284 10287 10293 105 10275 10272 10278 196 10269 10272 10275 199 10266 10263 10269 177 10266 10263 10317 178 10263 10317 10320 41 10260 10263 10266 181 10257 10254 10260 159 10257 10254 10311 41 10254 10311 10314 41 10251 10245 10254 41 10248 10245 10251 42 10248 10245 10254 41 10245 10254 10257 41 10242 10245 10248 159 10242 10245 10251 159 10410 10407 10413 156 10407 10413 10416 158 10404 10401 10407 41 10404 10401 10419 159 10401 10407 10410 41 10392 10389 10395 162 10383 10389 10392 162 10380 10377 10383 165 10374 10371 10377 168 10371 10377 10380 170 10368 10371 10374 173 10365 10362 10368 177 10365 10362 10407 178 10362 10407 10410 41 10359 10362 10365 181 10356 10353 10359 159 10356 10353 10401 41 10353 10401 10404 41 10350 10344 10353 41 10347 10344 10350 42 10347 10344 10353 41 10344 10353 10356 41 10341 10344 10347 159 10341 10344 10350 159 10509 10506 10512 156 10506 10512 10515 158 10503 10500 10506 41 10503 10500 10518 159 10500 10506 10509 41 10491 10488 10494 185 10485 10488 10491 185 10479 10476 10482 103 10473 10476 10479 105 10473 10476 10482 105 10464 10461 10467 196 10458 10461 10464 199 10455 10452 10458 177 10455 10452 10506 178 10452 10506 10509 41 10449 10452 10455 181 10446 10443 10449 159 10446 10443 10500 41 10443 10500 10503 41 10440 10434 10443 41 10437 10434 10440 42 10437 10434 10443 41 10434 10443 10446 41 10431 10434 10437 159 10431 10434 10440 159 10608 10605 10611 156 10605 10611 10614 158 10602 10599 10605 41 10602 10599 10617 159 10599 10605 10608 41 10590 10587 10593 185 10584 10587 10590 185 10578 10575 10581 103 10572 10575 10578 105 10572 10575 10581 105 10563 10560 10566 196 10557 10560 10563 199 10554 10551 10557 177 10554 10551 10605 178 10551 10605 10608 41 10548 10551 10554 181 10545 10542 10548 159 10545 10542 10599 41 10542 10599 10602 41 10539 10533 10542 41 10536 10533 10539 42 10536 10533 10542 41 10533 10542 10545 41 10530 10533 10536 159 10530 10533 10539 159 10698 10695 10701 156 10695 10701 10704 158 10692 10689 10695 41 10692 10689 10707 159 10689 10695 10698 41 10680 10677 10683 162 10671 10677 10680 162 10668 10665 10671 165 10662 10659 10665 168 10659 10665 10668 170 10656 10659 10662 173 10653 10650 10656 177 10653 10650 10695 178 10650 10695 10698 41 10647 10650 10653 181 10644 10641 10647 159 10644 10641 10689 41 10641 10689 10692 41 10638 10632 10641 41 10635 10632 10638 42 10635 10632 10641 41 10632 10641 10644 41 10629 10632 10635 159 10629 10632 10638 159 10788 10785 10791 156 10785 10791 10794 158 10782 10779 10785 41 10782 10779 10797 159 10779 10785 10788 41 10770 10767 10773 162 10761 10767 10770 162 10758 10755 10761 165 10752 10749 10755 168 10749 10755 10758 170 10746 10749 10752 173 10743 10740 10746 177 10743 10740 10785 178 10740 10785 10788 41 10737 10740 10743 181 10734 10731 10737 159 10734 10731 10779 41 10731 10779 10782 41 10728 10722 10731 41 10725 10722 10728 42 10725 10722 10731 41 10722 10731 10734 41 10719 10722 10725 159 10719 10722 10728 159 10887 10884 10890 156 10884 10890 10893 158 10881 10878 10884 41 10881 10878 10896 159 10878 10884 10887 41 10869 10866 10872 185 10863 10866 10869 185 10857 10854 10860 103 10851 10854 10857 105 10851 10854 10860 105 10842 10839 10845 196 10836 10839 10842 199 10833 10830 10836 177 10833 10830 10884 178 10830 10884 10887 41 10827 10830 10833 181 10824 10821 10827 159 10824 10821 10878 41 10821 10878 10881 41 10818 10812 10821 41 10815 10812 10818 42 10815 10812 10821 41 10812 10821 10824 41 10809 10812 10815 159 10809 10812 10818 159 10986 10983 10989 156 10983 10989 10992 158 10980 10977 10983 41 10980 10977 10995 159 10977 10983 10986 41 10968 10965 10971 185 10962 10965 10968 185 10956 10953 10959 103 10950 10953 10956 105 10950 10953 10959 105 10941 10938 10944 196 10935 10938 10941 199 10932 10929 10935 177 10932 10929 10983 178 10929 10983 10986 41 10926 10929 10932 181 10923 10920 10926 159 10923 10920 10977 41 10920 10977 10980 41 10917 10911 10920 41 10914 10911 10917 42 10914 10911 10920 41 10911 10920 10923 41 10908 10911 10914 159 10908 10911 10917 159 11076 11073 11079 156 11073 11079 11082 158 11070 11067 11073 41 11070 11067 11085 159 11067 11073 11076 41 11058 11055 11061 162 11049 11055 11058 162 11046 11043 11049 165 11040 11037 11043 168 11037 11043 11046 170 11034 11037 11040 173 11031 11028 11034 177 11031 11028 11073 178 11028 11073 11076 41 11025 11028 11031 181 11022 11019 11025 159 11022 11019 11067 41 11019 11067 11070 41 11016 11010 11019 41 11013 11010 11016 42 11013 11010 11019 41 11010 11019 11022 41 11007 11010 11013 159 11007 11010 11016 159 11166 11163 11169 156 11163 11169 11172 158 11160 11157 11163 41 11160 11157 11175 156 11157 11163 11166 41 11157 11175 11178 158 11148 11145 11151 162 11139 11145 11148 162 11136 11133 11139 165 11130 11127 11133 168 11127 11133 11136 170 11124 11127 11130 173 11121 11118 11124 177 11121 11118 11163 178 11118 11163 11166 41 11115 11118 11121 181 11112 11109 11115 159 11112 11109 11157 41 11109 11157 11160 41 11106 11100 11109 41 11103 11100 11106 42 11103 11100 11109 41 11100 11109 11112 41 11097 11100 11103 159 11097 11100 11106 159 %FLAG ANGLES_WITHOUT_HYDROGEN %FORMAT(10I8) 24 21 27 1 21 27 33 3 12 21 24 6 12 21 27 7 0 12 21 11 45 42 48 1 42 48 54 3 33 42 45 6 33 42 48 7 27 33 42 16 78 75 81 1 75 81 87 3 60 54 75 19 54 60 69 23 54 75 78 6 54 75 81 7 48 54 60 24 48 54 75 16 135 132 138 1 132 138 141 25 132 138 168 3 108 102 120 27 93 87 132 19 93 102 108 33 93 102 120 33 87 93 102 35 87 132 135 6 87 132 138 7 81 87 93 24 81 87 132 16 177 174 180 1 174 180 186 3 168 174 177 6 168 174 180 7 159 168 174 38 150 159 168 40 141 138 168 43 141 150 159 44 138 141 150 46 138 168 159 47 138 168 174 16 210 207 213 1 207 213 219 3 192 186 207 19 186 192 201 23 186 207 210 6 186 207 213 7 180 186 192 24 180 186 207 16 267 264 270 1 264 270 276 3 231 225 243 33 225 219 264 50 225 243 252 51 219 225 231 54 219 225 243 55 219 264 267 6 219 264 270 7 213 219 225 56 213 219 264 16 312 309 315 1 309 315 321 3 303 300 306 57 291 300 303 59 291 300 306 59 282 276 309 19 282 291 300 61 276 282 291 62 276 309 312 6 276 309 315 7 270 276 282 24 270 276 309 16 363 360 366 1 360 366 372 3 348 345 351 1 336 345 348 65 336 345 351 66 327 321 360 19 327 336 345 67 321 327 336 62 321 360 363 6 321 360 366 7 315 321 327 24 315 321 360 16 414 411 417 1 411 417 423 3 387 396 399 70 378 372 411 19 378 387 396 72 372 378 387 62 372 411 414 6 372 411 417 7 366 372 378 24 366 372 411 16 471 468 474 1 468 474 480 3 444 438 456 27 429 423 468 19 429 438 444 33 429 438 456 33 423 429 438 35 423 468 471 6 423 468 474 7 417 423 429 24 417 423 468 16 501 498 504 1 498 504 510 3 486 480 498 38 480 498 501 6 480 498 504 7 474 480 486 47 474 480 498 16 531 528 534 1 528 534 540 3 516 510 528 38 510 528 531 6 510 528 534 7 504 510 516 47 504 510 528 16 573 570 576 1 570 576 579 25 570 576 606 3 558 555 561 1 546 540 570 19 546 555 558 65 546 555 561 66 540 546 555 73 540 570 573 6 540 570 576 7 534 540 546 24 534 540 570 16 615 612 618 1 612 618 624 3 606 612 615 6 606 612 618 7 597 606 612 38 588 597 606 40 579 576 606 43 579 588 597 44 576 579 588 46 576 606 597 47 576 606 612 16 636 633 639 1 633 639 645 3 624 633 636 6 624 633 639 7 618 624 633 16 702 699 705 1 699 705 711 3 669 678 687 80 660 669 678 81 651 645 699 82 651 660 669 81 645 651 660 85 645 699 702 6 645 699 705 7 639 645 651 86 639 645 699 16 744 741 747 1 741 747 750 25 741 747 777 3 723 717 735 87 717 711 741 50 711 717 723 54 711 717 735 92 711 741 744 6 711 741 747 7 705 711 717 56 705 711 741 16 786 783 789 1 783 789 795 3 777 783 786 6 777 783 789 7 768 777 783 38 759 768 777 40 750 747 777 43 750 759 768 44 747 750 759 46 747 777 768 47 747 777 783 16 843 840 846 1 840 846 852 3 807 801 819 33 801 795 840 50 801 819 828 51 795 801 807 54 795 801 819 55 795 840 843 6 795 840 846 7 789 795 801 56 789 795 840 16 876 873 879 1 873 879 885 3 858 852 873 19 852 858 867 23 852 873 876 6 852 873 879 7 846 852 858 24 846 852 873 16 933 930 936 1 930 936 942 3 906 900 918 27 891 885 930 19 891 900 906 33 891 900 918 33 885 891 900 35 885 930 933 6 885 930 936 7 879 885 891 24 879 885 930 16 990 987 993 1 987 993 999 3 963 957 975 27 948 942 987 19 948 957 963 33 948 957 975 33 942 948 957 35 942 987 990 6 942 987 993 7 936 942 948 24 936 942 987 16 1041 1038 1044 1 1038 1044 1050 3 1026 1023 1029 1 1014 1023 1026 65 1014 1023 1029 66 1005 999 1038 19 1005 1014 1023 67 999 1005 1014 62 999 1038 1041 6 999 1038 1044 7 993 999 1005 24 993 999 1038 16 1086 1083 1089 1 1083 1089 1095 3 1077 1074 1080 57 1065 1074 1077 59 1065 1074 1080 59 1056 1050 1083 19 1056 1065 1074 61 1050 1056 1065 62 1050 1083 1086 6 1050 1083 1089 7 1044 1050 1056 24 1044 1050 1083 16 1149 1146 1152 1 1146 1152 1158 3 1128 1125 1134 94 1125 1134 1140 97 1119 1125 1128 94 1119 1125 1134 98 1113 1110 1140 99 1113 1119 1125 97 1110 1113 1119 99 1110 1140 1134 99 1101 1095 1146 38 1101 1110 1113 101 1101 1110 1140 101 1095 1101 1110 102 1095 1146 1149 6 1095 1146 1152 7 1089 1095 1101 47 1089 1095 1146 16 1170 1167 1173 1 1167 1173 1179 3 1158 1167 1170 6 1158 1167 1173 7 1152 1158 1167 16 1212 1209 1215 1 1209 1215 1221 3 1191 1185 1203 87 1185 1179 1209 50 1179 1185 1191 54 1179 1185 1203 92 1179 1209 1212 6 1179 1209 1215 7 1173 1179 1185 56 1173 1179 1209 16 1284 1281 1287 1 1281 1287 1293 3 1263 1260 1272 104 1254 1260 1263 104 1254 1260 1272 104 1245 1254 1260 109 1236 1245 1254 111 1227 1221 1281 82 1227 1236 1245 81 1221 1227 1236 85 1221 1281 1284 6 1221 1281 1287 7 1215 1221 1227 86 1215 1221 1281 16 1341 1338 1344 1 1338 1344 1350 3 1305 1299 1317 33 1299 1293 1338 50 1299 1317 1326 51 1293 1299 1305 54 1293 1299 1317 55 1293 1338 1341 6 1293 1338 1344 7 1287 1293 1299 56 1287 1293 1338 16 1362 1359 1365 1 1359 1365 1371 3 1350 1359 1362 6 1350 1359 1365 7 1344 1350 1359 16 1428 1425 1431 1 1425 1431 1437 3 1395 1404 1413 80 1386 1395 1404 81 1377 1371 1425 82 1377 1386 1395 81 1371 1377 1386 85 1371 1425 1428 6 1371 1425 1431 7 1365 1371 1377 86 1365 1371 1425 16 1470 1467 1473 1 1467 1473 1476 25 1467 1473 1503 3 1449 1443 1461 87 1443 1437 1467 50 1437 1443 1449 54 1437 1443 1461 92 1437 1467 1470 6 1437 1467 1473 7 1431 1437 1443 56 1431 1437 1467 16 1512 1509 1515 1 1509 1515 1521 3 1503 1509 1512 6 1503 1509 1515 7 1494 1503 1509 38 1485 1494 1503 40 1476 1473 1503 43 1476 1485 1494 44 1473 1476 1485 46 1473 1503 1494 47 1473 1503 1509 16 1560 1557 1563 1 1557 1563 1569 3 1533 1527 1545 27 1527 1521 1557 50 1521 1527 1533 54 1521 1527 1545 54 1521 1557 1560 6 1521 1557 1563 7 1515 1521 1527 56 1515 1521 1557 16 1623 1620 1626 1 1620 1626 1632 3 1602 1599 1608 94 1599 1608 1614 97 1593 1599 1602 94 1593 1599 1608 98 1587 1584 1614 99 1587 1593 1599 97 1584 1587 1593 99 1584 1614 1608 99 1575 1569 1620 38 1575 1584 1587 101 1575 1584 1614 101 1569 1575 1584 102 1569 1620 1623 6 1569 1620 1626 7 1563 1569 1575 47 1563 1569 1620 16 1659 1656 1662 1 1656 1662 1668 3 1650 1647 1653 57 1638 1632 1656 19 1638 1647 1650 59 1638 1647 1653 59 1632 1638 1647 112 1632 1656 1659 6 1632 1656 1662 7 1626 1632 1638 24 1626 1632 1656 16 1716 1713 1719 1 1713 1719 1725 3 1689 1683 1701 27 1674 1668 1713 19 1674 1683 1689 33 1674 1683 1701 33 1668 1674 1683 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9006 9000 9048 157 9006 9009 9015 182 9006 9009 9054 157 9000 9006 9009 183 9000 9048 9054 44 9000 9048 9066 157 8991 9000 9006 157 8991 9000 9048 44 8988 8991 9000 157 8985 8979 8988 154 8982 8979 8985 184 8982 8979 8988 154 8979 8988 8991 161 9144 9138 9156 160 9138 9144 9150 160 9126 9132 9135 163 9123 9120 9126 163 9120 9126 9132 164 9114 9120 9123 166 9114 9120 9126 167 9108 9105 9132 169 9108 9114 9120 171 9105 9099 9144 172 9105 9108 9114 174 9105 9132 9126 175 9105 9132 9135 176 9099 9105 9108 179 9099 9105 9132 180 9099 9144 9138 44 9099 9144 9150 160 9096 9090 9138 157 9096 9099 9105 182 9096 9099 9144 157 9090 9096 9099 183 9090 9138 9144 44 9090 9138 9156 160 9081 9090 9096 157 9081 9090 9138 44 9078 9081 9090 157 9075 9069 9078 154 9072 9069 9075 184 9072 9069 9078 154 9069 9078 9081 161 9255 9258 9261 154 9255 9258 9264 154 9255 9258 9267 155 9243 9237 9255 157 9237 9243 9249 160 9237 9255 9258 161 9222 9219 9231 188 9219 9231 9234 212 9213 9219 9222 214 9213 9219 9231 215 9210 9207 9213 163 9207 9204 9234 216 9207 9213 9219 217 9204 9207 9210 218 9204 9207 9213 219 9204 9234 9231 193 9201 9204 9207 220 9201 9204 9234 195 9195 9192 9234 197 9195 9201 9204 198 9192 9186 9243 172 9192 9195 9201 200 9192 9234 9204 201 9192 9234 9231 202 9186 9192 9195 203 9186 9192 9234 204 9186 9243 9237 44 9186 9243 9249 160 9183 9177 9237 157 9183 9186 9192 182 9183 9186 9243 157 9177 9183 9186 183 9177 9237 9243 44 9177 9237 9255 157 9168 9177 9183 157 9168 9177 9237 44 9165 9168 9177 160 9345 9348 9351 154 9345 9348 9354 154 9345 9348 9357 155 9333 9327 9345 157 9327 9333 9339 160 9327 9345 9348 161 9315 9321 9324 163 9312 9309 9315 163 9309 9315 9321 164 9303 9309 9312 166 9303 9309 9315 167 9297 9294 9321 169 9297 9303 9309 171 9294 9288 9333 172 9294 9297 9303 174 9294 9321 9315 175 9294 9321 9324 176 9288 9294 9297 179 9288 9294 9321 180 9288 9333 9327 44 9288 9333 9339 160 9285 9279 9327 157 9285 9288 9294 182 9285 9288 9333 157 9279 9285 9288 183 9279 9327 9333 44 9279 9327 9345 157 9270 9279 9285 157 9270 9279 9327 44 9267 9270 9279 157 9264 9258 9267 154 9261 9258 9264 184 9261 9258 9267 154 9258 9267 9270 161 9444 9447 9450 154 9444 9447 9453 154 9444 9447 9456 155 9432 9426 9444 157 9426 9432 9438 160 9426 9444 9447 161 9414 9420 9423 186 9411 9414 9420 187 9402 9399 9411 188 9399 9396 9423 189 9399 9411 9414 190 9396 9399 9402 191 9396 9399 9411 192 9396 9423 9420 193 9393 9396 9399 194 9393 9396 9423 195 9387 9384 9423 197 9387 9393 9396 198 9384 9378 9432 172 9384 9387 9393 200 9384 9423 9396 201 9384 9423 9420 202 9378 9384 9387 203 9378 9384 9423 204 9378 9432 9426 44 9378 9432 9438 160 9375 9369 9426 157 9375 9378 9384 182 9375 9378 9432 157 9369 9375 9378 183 9369 9426 9432 44 9369 9426 9444 157 9360 9369 9375 157 9360 9369 9426 44 9357 9360 9369 157 9354 9348 9357 154 9351 9348 9354 184 9351 9348 9357 154 9348 9357 9360 161 9537 9540 9543 154 9537 9540 9546 154 9537 9540 9549 155 9525 9519 9537 157 9519 9525 9531 160 9519 9537 9540 161 9510 9513 9516 205 9501 9498 9510 188 9498 9510 9513 206 9492 9498 9501 208 9492 9498 9510 209 9486 9483 9513 169 9486 9492 9498 210 9483 9477 9525 172 9483 9486 9492 174 9483 9513 9510 211 9483 9513 9516 176 9477 9483 9486 179 9477 9483 9513 180 9477 9525 9519 44 9477 9525 9531 160 9474 9468 9519 157 9474 9477 9483 182 9474 9477 9525 157 9468 9474 9477 183 9468 9519 9525 44 9468 9519 9537 157 9459 9468 9474 157 9459 9468 9519 44 9456 9459 9468 157 9453 9447 9456 154 9450 9447 9453 184 9450 9447 9456 154 9447 9456 9459 161 9639 9642 9645 154 9639 9642 9648 154 9639 9642 9651 155 9627 9621 9639 157 9621 9627 9633 160 9621 9639 9642 161 9606 9603 9615 188 9603 9615 9618 212 9597 9603 9606 214 9597 9603 9615 215 9594 9591 9597 163 9591 9588 9618 216 9591 9597 9603 217 9588 9591 9594 218 9588 9591 9597 219 9588 9618 9615 193 9585 9588 9591 220 9585 9588 9618 195 9579 9576 9618 197 9579 9585 9588 198 9576 9570 9627 172 9576 9579 9585 200 9576 9618 9588 201 9576 9618 9615 202 9570 9576 9579 203 9570 9576 9618 204 9570 9627 9621 44 9570 9627 9633 160 9567 9561 9621 157 9567 9570 9576 182 9567 9570 9627 157 9561 9567 9570 183 9561 9621 9627 44 9561 9621 9639 157 9552 9561 9567 157 9552 9561 9621 44 9549 9552 9561 157 9546 9540 9549 154 9543 9540 9546 184 9543 9540 9549 154 9540 9549 9552 161 9741 9744 9747 154 9741 9744 9750 154 9741 9744 9753 155 9729 9723 9741 157 9723 9729 9735 160 9723 9741 9744 161 9708 9705 9717 188 9705 9717 9720 212 9699 9705 9708 214 9699 9705 9717 215 9696 9693 9699 163 9693 9690 9720 216 9693 9699 9705 217 9690 9693 9696 218 9690 9693 9699 219 9690 9720 9717 193 9687 9690 9693 220 9687 9690 9720 195 9681 9678 9720 197 9681 9687 9690 198 9678 9672 9729 172 9678 9681 9687 200 9678 9720 9690 201 9678 9720 9717 202 9672 9678 9681 203 9672 9678 9720 204 9672 9729 9723 44 9672 9729 9735 160 9669 9663 9723 157 9669 9672 9678 182 9669 9672 9729 157 9663 9669 9672 183 9663 9723 9729 44 9663 9723 9741 157 9654 9663 9669 157 9654 9663 9723 44 9651 9654 9663 157 9648 9642 9651 154 9645 9642 9648 184 9645 9642 9651 154 9642 9651 9654 161 9840 9843 9846 154 9840 9843 9849 154 9840 9843 9852 155 9828 9822 9840 157 9822 9828 9834 160 9822 9840 9843 161 9810 9816 9819 186 9807 9810 9816 187 9798 9795 9807 188 9795 9792 9819 189 9795 9807 9810 190 9792 9795 9798 191 9792 9795 9807 192 9792 9819 9816 193 9789 9792 9795 194 9789 9792 9819 195 9783 9780 9819 197 9783 9789 9792 198 9780 9774 9828 172 9780 9783 9789 200 9780 9819 9792 201 9780 9819 9816 202 9774 9780 9783 203 9774 9780 9819 204 9774 9828 9822 44 9774 9828 9834 160 9771 9765 9822 157 9771 9774 9780 182 9771 9774 9828 157 9765 9771 9774 183 9765 9822 9828 44 9765 9822 9840 157 9756 9765 9771 157 9756 9765 9822 44 9753 9756 9765 157 9750 9744 9753 154 9747 9744 9750 184 9747 9744 9753 154 9744 9753 9756 161 9939 9942 9945 154 9939 9942 9948 154 9939 9942 9951 155 9927 9921 9939 157 9921 9927 9933 160 9921 9939 9942 161 9909 9915 9918 186 9906 9909 9915 187 9897 9894 9906 188 9894 9891 9918 189 9894 9906 9909 190 9891 9894 9897 191 9891 9894 9906 192 9891 9918 9915 193 9888 9891 9894 194 9888 9891 9918 195 9882 9879 9918 197 9882 9888 9891 198 9879 9873 9927 172 9879 9882 9888 200 9879 9918 9891 201 9879 9918 9915 202 9873 9879 9882 203 9873 9879 9918 204 9873 9927 9921 44 9873 9927 9933 160 9870 9864 9921 157 9870 9873 9879 182 9870 9873 9927 157 9864 9870 9873 183 9864 9921 9927 44 9864 9921 9939 157 9855 9864 9870 157 9855 9864 9921 44 9852 9855 9864 157 9849 9843 9852 154 9846 9843 9849 184 9846 9843 9852 154 9843 9852 9855 161 10029 10032 10035 154 10029 10032 10038 154 10029 10032 10041 155 10017 10011 10029 157 10011 10017 10023 160 10011 10029 10032 161 9999 10005 10008 163 9996 9993 9999 163 9993 9999 10005 164 9987 9993 9996 166 9987 9993 9999 167 9981 9978 10005 169 9981 9987 9993 171 9978 9972 10017 172 9978 9981 9987 174 9978 10005 9999 175 9978 10005 10008 176 9972 9978 9981 179 9972 9978 10005 180 9972 10017 10011 44 9972 10017 10023 160 9969 9963 10011 157 9969 9972 9978 182 9969 9972 10017 157 9963 9969 9972 183 9963 10011 10017 44 9963 10011 10029 157 9954 9963 9969 157 9954 9963 10011 44 9951 9954 9963 157 9948 9942 9951 154 9945 9942 9948 184 9945 9942 9951 154 9942 9951 9954 161 10128 10131 10134 154 10128 10131 10137 154 10128 10131 10140 155 10116 10110 10128 157 10110 10116 10122 160 10110 10128 10131 161 10098 10104 10107 186 10095 10098 10104 187 10086 10083 10095 188 10083 10080 10107 189 10083 10095 10098 190 10080 10083 10086 191 10080 10083 10095 192 10080 10107 10104 193 10077 10080 10083 194 10077 10080 10107 195 10071 10068 10107 197 10071 10077 10080 198 10068 10062 10116 172 10068 10071 10077 200 10068 10107 10080 201 10068 10107 10104 202 10062 10068 10071 203 10062 10068 10107 204 10062 10116 10110 44 10062 10116 10122 160 10059 10053 10110 157 10059 10062 10068 182 10059 10062 10116 157 10053 10059 10062 183 10053 10110 10116 44 10053 10110 10128 157 10044 10053 10059 157 10044 10053 10110 44 10041 10044 10053 157 10038 10032 10041 154 10035 10032 10038 184 10035 10032 10041 154 10032 10041 10044 161 10230 10233 10236 154 10230 10233 10239 154 10230 10233 10242 155 10218 10212 10230 157 10212 10218 10224 160 10212 10230 10233 161 10197 10194 10206 188 10194 10206 10209 212 10188 10194 10197 214 10188 10194 10206 215 10185 10182 10188 163 10182 10179 10209 216 10182 10188 10194 217 10179 10182 10185 218 10179 10182 10188 219 10179 10209 10206 193 10176 10179 10182 220 10176 10179 10209 195 10170 10167 10209 197 10170 10176 10179 198 10167 10161 10218 172 10167 10170 10176 200 10167 10209 10179 201 10167 10209 10206 202 10161 10167 10170 203 10161 10167 10209 204 10161 10218 10212 44 10161 10218 10224 160 10158 10152 10212 157 10158 10161 10167 182 10158 10161 10218 157 10152 10158 10161 183 10152 10212 10218 44 10152 10212 10230 157 10143 10152 10158 157 10143 10152 10212 44 10140 10143 10152 157 10137 10131 10140 154 10134 10131 10137 184 10134 10131 10140 154 10131 10140 10143 161 10329 10332 10335 154 10329 10332 10338 154 10329 10332 10341 155 10317 10311 10329 157 10311 10317 10323 160 10311 10329 10332 161 10299 10305 10308 186 10296 10299 10305 187 10287 10284 10296 188 10284 10281 10308 189 10284 10296 10299 190 10281 10284 10287 191 10281 10284 10296 192 10281 10308 10305 193 10278 10281 10284 194 10278 10281 10308 195 10272 10269 10308 197 10272 10278 10281 198 10269 10263 10317 172 10269 10272 10278 200 10269 10308 10281 201 10269 10308 10305 202 10263 10269 10272 203 10263 10269 10308 204 10263 10317 10311 44 10263 10317 10323 160 10260 10254 10311 157 10260 10263 10269 182 10260 10263 10317 157 10254 10260 10263 183 10254 10311 10317 44 10254 10311 10329 157 10245 10254 10260 157 10245 10254 10311 44 10242 10245 10254 157 10239 10233 10242 154 10236 10233 10239 184 10236 10233 10242 154 10233 10242 10245 161 10419 10422 10425 154 10419 10422 10428 154 10419 10422 10431 155 10407 10401 10419 157 10401 10407 10413 160 10401 10419 10422 161 10389 10395 10398 163 10386 10383 10389 163 10383 10389 10395 164 10377 10383 10386 166 10377 10383 10389 167 10371 10368 10395 169 10371 10377 10383 171 10368 10362 10407 172 10368 10371 10377 174 10368 10395 10389 175 10368 10395 10398 176 10362 10368 10371 179 10362 10368 10395 180 10362 10407 10401 44 10362 10407 10413 160 10359 10353 10401 157 10359 10362 10368 182 10359 10362 10407 157 10353 10359 10362 183 10353 10401 10407 44 10353 10401 10419 157 10344 10353 10359 157 10344 10353 10401 44 10341 10344 10353 157 10338 10332 10341 154 10335 10332 10338 184 10335 10332 10341 154 10332 10341 10344 161 10518 10521 10524 154 10518 10521 10527 154 10518 10521 10530 155 10506 10500 10518 157 10500 10506 10512 160 10500 10518 10521 161 10488 10494 10497 186 10485 10488 10494 187 10476 10473 10485 188 10473 10470 10497 189 10473 10485 10488 190 10470 10473 10476 191 10470 10473 10485 192 10470 10497 10494 193 10467 10470 10473 194 10467 10470 10497 195 10461 10458 10497 197 10461 10467 10470 198 10458 10452 10506 172 10458 10461 10467 200 10458 10497 10470 201 10458 10497 10494 202 10452 10458 10461 203 10452 10458 10497 204 10452 10506 10500 44 10452 10506 10512 160 10449 10443 10500 157 10449 10452 10458 182 10449 10452 10506 157 10443 10449 10452 183 10443 10500 10506 44 10443 10500 10518 157 10434 10443 10449 157 10434 10443 10500 44 10431 10434 10443 157 10428 10422 10431 154 10425 10422 10428 184 10425 10422 10431 154 10422 10431 10434 161 10617 10620 10623 154 10617 10620 10626 154 10617 10620 10629 155 10605 10599 10617 157 10599 10605 10611 160 10599 10617 10620 161 10587 10593 10596 186 10584 10587 10593 187 10575 10572 10584 188 10572 10569 10596 189 10572 10584 10587 190 10569 10572 10575 191 10569 10572 10584 192 10569 10596 10593 193 10566 10569 10572 194 10566 10569 10596 195 10560 10557 10596 197 10560 10566 10569 198 10557 10551 10605 172 10557 10560 10566 200 10557 10596 10569 201 10557 10596 10593 202 10551 10557 10560 203 10551 10557 10596 204 10551 10605 10599 44 10551 10605 10611 160 10548 10542 10599 157 10548 10551 10557 182 10548 10551 10605 157 10542 10548 10551 183 10542 10599 10605 44 10542 10599 10617 157 10533 10542 10548 157 10533 10542 10599 44 10530 10533 10542 157 10527 10521 10530 154 10524 10521 10527 184 10524 10521 10530 154 10521 10530 10533 161 10707 10710 10713 154 10707 10710 10716 154 10707 10710 10719 155 10695 10689 10707 157 10689 10695 10701 160 10689 10707 10710 161 10677 10683 10686 163 10674 10671 10677 163 10671 10677 10683 164 10665 10671 10674 166 10665 10671 10677 167 10659 10656 10683 169 10659 10665 10671 171 10656 10650 10695 172 10656 10659 10665 174 10656 10683 10677 175 10656 10683 10686 176 10650 10656 10659 179 10650 10656 10683 180 10650 10695 10689 44 10650 10695 10701 160 10647 10641 10689 157 10647 10650 10656 182 10647 10650 10695 157 10641 10647 10650 183 10641 10689 10695 44 10641 10689 10707 157 10632 10641 10647 157 10632 10641 10689 44 10629 10632 10641 157 10626 10620 10629 154 10623 10620 10626 184 10623 10620 10629 154 10620 10629 10632 161 10797 10800 10803 154 10797 10800 10806 154 10797 10800 10809 155 10785 10779 10797 157 10779 10785 10791 160 10779 10797 10800 161 10767 10773 10776 163 10764 10761 10767 163 10761 10767 10773 164 10755 10761 10764 166 10755 10761 10767 167 10749 10746 10773 169 10749 10755 10761 171 10746 10740 10785 172 10746 10749 10755 174 10746 10773 10767 175 10746 10773 10776 176 10740 10746 10749 179 10740 10746 10773 180 10740 10785 10779 44 10740 10785 10791 160 10737 10731 10779 157 10737 10740 10746 182 10737 10740 10785 157 10731 10737 10740 183 10731 10779 10785 44 10731 10779 10797 157 10722 10731 10737 157 10722 10731 10779 44 10719 10722 10731 157 10716 10710 10719 154 10713 10710 10716 184 10713 10710 10719 154 10710 10719 10722 161 10896 10899 10902 154 10896 10899 10905 154 10896 10899 10908 155 10884 10878 10896 157 10878 10884 10890 160 10878 10896 10899 161 10866 10872 10875 186 10863 10866 10872 187 10854 10851 10863 188 10851 10848 10875 189 10851 10863 10866 190 10848 10851 10854 191 10848 10851 10863 192 10848 10875 10872 193 10845 10848 10851 194 10845 10848 10875 195 10839 10836 10875 197 10839 10845 10848 198 10836 10830 10884 172 10836 10839 10845 200 10836 10875 10848 201 10836 10875 10872 202 10830 10836 10839 203 10830 10836 10875 204 10830 10884 10878 44 10830 10884 10890 160 10827 10821 10878 157 10827 10830 10836 182 10827 10830 10884 157 10821 10827 10830 183 10821 10878 10884 44 10821 10878 10896 157 10812 10821 10827 157 10812 10821 10878 44 10809 10812 10821 157 10806 10800 10809 154 10803 10800 10806 184 10803 10800 10809 154 10800 10809 10812 161 10995 10998 11001 154 10995 10998 11004 154 10995 10998 11007 155 10983 10977 10995 157 10977 10983 10989 160 10977 10995 10998 161 10965 10971 10974 186 10962 10965 10971 187 10953 10950 10962 188 10950 10947 10974 189 10950 10962 10965 190 10947 10950 10953 191 10947 10950 10962 192 10947 10974 10971 193 10944 10947 10950 194 10944 10947 10974 195 10938 10935 10974 197 10938 10944 10947 198 10935 10929 10983 172 10935 10938 10944 200 10935 10974 10947 201 10935 10974 10971 202 10929 10935 10938 203 10929 10935 10974 204 10929 10983 10977 44 10929 10983 10989 160 10926 10920 10977 157 10926 10929 10935 182 10926 10929 10983 157 10920 10926 10929 183 10920 10977 10983 44 10920 10977 10995 157 10911 10920 10926 157 10911 10920 10977 44 10908 10911 10920 157 10905 10899 10908 154 10902 10899 10905 184 10902 10899 10908 154 10899 10908 10911 161 11085 11088 11091 154 11085 11088 11094 154 11085 11088 11097 155 11073 11067 11085 157 11067 11073 11079 160 11067 11085 11088 161 11055 11061 11064 163 11052 11049 11055 163 11049 11055 11061 164 11043 11049 11052 166 11043 11049 11055 167 11037 11034 11061 169 11037 11043 11049 171 11034 11028 11073 172 11034 11037 11043 174 11034 11061 11055 175 11034 11061 11064 176 11028 11034 11037 179 11028 11034 11061 180 11028 11073 11067 44 11028 11073 11079 160 11025 11019 11067 157 11025 11028 11034 182 11025 11028 11073 157 11019 11025 11028 183 11019 11067 11073 44 11019 11067 11085 157 11010 11019 11025 157 11010 11019 11067 44 11007 11010 11019 157 11004 10998 11007 154 11001 10998 11004 184 11001 10998 11007 154 10998 11007 11010 161 11163 11157 11175 160 11157 11163 11169 160 11145 11151 11154 163 11142 11139 11145 163 11139 11145 11151 164 11133 11139 11142 166 11133 11139 11145 167 11127 11124 11151 169 11127 11133 11139 171 11124 11118 11163 172 11124 11127 11133 174 11124 11151 11145 175 11124 11151 11154 176 11118 11124 11127 179 11118 11124 11151 180 11118 11163 11157 44 11118 11163 11169 160 11115 11109 11157 157 11115 11118 11124 182 11115 11118 11163 157 11109 11115 11118 183 11109 11157 11163 44 11109 11157 11175 160 11100 11109 11115 157 11100 11109 11157 44 11097 11100 11109 157 11094 11088 11097 154 11091 11088 11094 184 11091 11088 11097 154 11088 11097 11100 161 %FLAG DIHEDRALS_INC_HYDROGEN %FORMAT(10I8) 24 21 27 30 1 24 21 -27 30 2 21 27 33 36 3 21 27 33 39 3 18 12 21 24 3 18 12 21 27 3 15 12 21 24 3 15 12 21 27 3 12 21 27 30 2 9 0 12 15 8 9 0 12 18 8 9 0 12 21 8 6 0 12 15 8 6 0 12 18 8 6 0 12 21 8 3 0 12 15 8 3 0 12 18 8 3 0 12 21 8 45 42 48 51 1 45 42 -48 51 2 42 48 54 57 3 39 33 42 45 11 39 33 -42 45 3 39 33 -42 45 12 39 33 42 48 3 36 33 42 45 11 36 33 -42 45 3 36 33 -42 45 12 36 33 42 48 3 33 42 48 51 2 30 27 33 36 3 30 27 33 39 3 30 27 33 42 3 78 75 81 84 1 78 75 -81 84 2 75 81 87 90 3 66 60 54 75 8 66 60 69 72 20 63 60 54 75 8 63 60 69 72 20 57 54 60 63 8 57 54 60 66 8 57 54 60 69 24 57 54 -60 69 25 57 54 75 78 11 57 54 -75 78 3 57 54 -75 78 12 57 54 75 81 3 54 60 69 72 26 54 60 -69 72 27 54 60 -69 72 28 54 60 -69 72 29 54 75 81 84 2 51 48 54 57 3 51 48 54 60 3 51 48 54 75 3 48 54 60 63 8 48 54 60 66 8 132 138 141 144 3 132 138 141 147 3 132 138 168 171 3 117 108 102 120 35 114 108 102 120 35 111 108 102 120 35 108 102 120 123 35 108 102 120 126 35 108 102 120 129 35 105 102 108 111 36 105 102 108 114 36 105 102 108 117 36 105 102 120 123 36 105 102 120 126 36 105 102 120 129 36 99 93 87 132 8 99 93 102 105 36 99 93 102 108 35 99 93 102 120 35 96 93 87 132 8 96 93 102 105 36 96 93 102 108 35 96 93 102 120 35 93 102 108 111 35 93 102 108 114 35 93 102 108 117 35 93 102 120 123 35 93 102 120 126 35 93 102 120 129 35 90 87 93 96 8 90 87 93 99 8 90 87 93 102 8 90 87 132 135 11 90 87 -132 135 3 90 87 -132 135 12 90 87 132 138 3 87 93 102 105 35 84 81 87 90 3 84 81 87 93 3 84 81 87 132 3 81 87 93 96 8 81 87 93 99 8 177 174 180 183 1 177 174 -180 183 2 174 180 186 189 3 171 168 174 177 11 171 168 -174 177 3 171 168 -174 177 12 171 168 174 180 3 168 174 180 183 2 165 159 168 171 8 165 159 168 174 8 162 159 168 171 8 162 159 168 174 8 156 150 159 162 36 156 150 159 165 36 156 150 159 168 35 153 150 159 162 36 153 150 159 165 36 153 150 159 168 35 150 159 168 171 8 147 141 138 168 3 147 141 150 153 8 147 141 150 156 8 147 141 150 159 8 144 141 138 168 3 144 141 150 153 8 144 141 150 156 8 144 141 150 159 8 141 138 168 171 3 141 150 159 162 35 141 150 159 165 35 138 141 150 153 8 138 141 150 156 8 138 168 159 162 8 138 168 159 165 8 210 207 213 216 1 210 207 -213 216 2 207 213 219 222 3 198 192 186 207 8 198 192 201 204 20 195 192 186 207 8 195 192 201 204 20 189 186 192 195 8 189 186 192 198 8 189 186 192 201 24 189 186 -192 201 25 189 186 207 210 11 189 186 -207 210 3 189 186 -207 210 12 189 186 207 213 3 186 192 201 204 26 186 192 -201 204 27 186 192 -201 204 28 186 192 -201 204 29 186 207 213 216 2 183 180 186 189 3 183 180 186 192 3 183 180 186 207 3 180 186 192 195 8 180 186 192 198 8 267 264 270 273 1 267 264 -270 273 2 264 270 276 279 3 249 243 252 255 36 249 243 252 258 36 249 243 252 261 36 246 243 252 255 36 246 243 252 258 36 246 243 252 261 36 240 231 225 243 35 237 231 225 243 35 234 231 225 243 35 231 225 243 246 35 231 225 243 249 35 228 225 219 264 8 228 225 231 234 36 228 225 231 237 36 228 225 231 240 36 228 225 243 246 36 228 225 243 249 36 228 225 243 252 35 225 243 252 255 35 225 243 252 258 35 225 243 252 261 35 222 219 225 228 8 222 219 225 231 8 222 219 225 243 8 222 219 264 267 11 222 219 -264 267 3 222 219 -264 267 12 222 219 264 270 3 219 225 231 234 35 219 225 231 237 35 219 225 231 240 35 219 225 243 246 35 219 225 243 249 35 219 264 270 273 2 216 213 219 222 3 216 213 219 225 3 216 213 219 264 3 213 219 225 228 8 312 309 315 318 1 312 309 -315 318 2 309 315 321 324 3 297 291 300 303 3 297 291 300 306 3 294 291 300 303 3 294 291 300 306 3 288 282 276 309 8 288 282 291 294 36 288 282 291 297 36 288 282 291 300 8 285 282 276 309 8 285 282 291 294 36 285 282 291 297 36 285 282 291 300 8 279 276 282 285 8 279 276 282 288 8 279 276 282 291 8 279 276 309 312 11 279 276 -309 312 3 279 276 -309 312 12 279 276 309 315 3 276 282 291 294 35 276 282 291 297 35 276 309 315 318 2 273 270 276 279 3 273 270 276 282 3 273 270 276 309 3 270 276 282 285 8 270 276 282 288 8 363 360 366 369 1 363 360 -366 369 2 360 366 372 375 3 348 345 351 354 1 348 345 -351 354 2 348 345 351 357 1 348 345 -351 357 2 342 336 345 348 11 342 336 -345 348 3 342 336 -345 348 12 342 336 345 351 3 339 336 345 348 11 339 336 -345 348 3 339 336 -345 348 12 339 336 345 351 3 336 345 351 354 2 336 345 351 357 2 333 327 321 360 8 333 327 336 339 36 333 327 336 342 36 333 327 336 345 8 330 327 321 360 8 330 327 336 339 36 330 327 336 342 36 330 327 336 345 8 324 321 327 330 8 324 321 327 333 8 324 321 327 336 8 324 321 360 363 11 324 321 -360 363 3 324 321 -360 363 12 324 321 360 366 3 321 327 336 339 35 321 327 336 342 35 321 360 366 369 2 318 315 321 324 3 318 315 321 327 3 318 315 321 360 3 315 321 327 330 8 315 321 327 333 8 414 411 417 420 1 414 411 -417 420 2 411 417 423 426 3 393 387 396 399 100 390 387 396 399 100 387 396 399 402 100 387 396 399 405 100 387 396 399 408 100 384 378 372 411 8 384 378 387 390 8 384 378 387 393 8 384 378 387 396 8 381 378 372 411 8 381 378 387 390 8 381 378 387 393 8 381 378 387 396 8 375 372 378 381 8 375 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3682 3683 3684 3688 3683 3684 3685 3686 3687 3688 3684 3685 3686 3685 3686 3687 3688 3689 3686 3687 3688 3687 3688 3689 3688 3689 3689 3692 0 3691 3692 3693 3694 3695 3696 3697 3698 3699 3700 3692 3693 3694 3696 3697 3693 3694 3695 3696 3697 3694 3695 3696 3695 3696 0 3697 3698 3699 3700 3701 3698 3699 3700 3701 3702 3703 3704 3699 3700 3701 3700 3701 3701 3702 3703 3704 3705 3706 3720 3702 3703 3704 3705 3706 3707 3720 3721 3722 3726 3703 3704 3705 3706 3720 3704 3705 3706 3720 3705 3706 3707 3708 3709 3720 3721 3722 3723 3724 3726 3727 3706 3707 3720 3721 3722 3726 3707 3708 3709 3710 3718 3720 3721 3722 3723 3724 3726 3708 3709 3710 3711 3712 3716 3718 3719 3720 3721 3722 3723 3724 3725 3726 3709 3710 3718 3720 3722 3723 3724 3710 3711 3712 3713 3714 3716 3717 3718 3719 3720 3722 3723 3724 3711 3712 3713 3714 3715 3716 3718 3719 3722 3712 3713 3714 3718 3713 3714 3715 3716 3717 3718 3714 3715 3716 3715 3716 3717 3718 3719 3716 3717 3718 3717 3718 3719 3718 3719 3719 3722 0 3721 3722 3723 3724 3725 3726 3727 3722 3723 3724 3726 3727 3723 3724 3725 3726 3727 3724 3725 3726 3725 3726 0 3727 0 %FLAG HBOND_ACOEF %FORMAT(5E16.8) %FLAG HBOND_BCOEF %FORMAT(5E16.8) %FLAG HBCUT %FORMAT(5E16.8) %FLAG AMBER_ATOM_TYPE %FORMAT(20a4) N3 H H H CX HP HP C O N H CX H1 H1 C O N H CX H1 2C H1 H1 OH HO C O N H CX H1 2C HC HC 3C HC CT HC HC HC CT HC HC HC C O N CT H1 H1 CT HC HC CT HC HC CX H1 C O N H CX H1 2C H1 H1 OH HO C O N H CX H1 3C HC CT HC HC HC 2C HC HC CT HC HC HC C O N H CX H1 2C HC HC 2C HC HC CO O2 O2 C O N H CX H1 2C HC HC 2C HC HC C O N H H C O N H CX H1 2C HC HC 2C H1 H1 S CT H1 H1 H1 C O N H CX H1 2C HC HC 3C HC CT HC HC HC CT HC HC HC C O N H CX H1 CT HC HC HC C O N H CX H1 CT HC HC HC C O N H CX H1 2C HC HC C O N H H C O N CT H1 H1 CT HC HC CT HC HC CX H1 C O N H CX H1 H1 C O N H CX H1 C8 HC HC C8 HC HC C8 HC HC C8 HP HP N3 H H H C O N H CX H1 3C H1 CT HC HC HC OH HO C O N CT H1 H1 CT HC HC CT HC HC CX H1 C O N H CX H1 3C HC CT HC HC HC 2C HC HC CT HC HC HC C O N H CX H1 2C H1 H1 OH HO C O N H CX H1 2C HC HC 3C HC CT HC HC HC CT HC HC HC C O N H CX H1 2C HC HC 3C HC CT HC HC HC CT HC HC HC C O N H CX H1 2C HC HC 2C HC HC C O N H H C O N H CX H1 2C HC HC 2C HC HC CO O2 O2 C O N H CX H1 CT HC HC CA CA HA CA HA C OH HO CA HA CA HA C O N H CX H1 H1 C O N H CX H1 3C H1 CT HC HC HC OH HO C O N H CX H1 C8 HC HC C8 HC HC C8 H1 H1 N2 H CA N2 H H N2 H H C O N H CX H1 3C HC CT HC HC HC 2C HC HC CT HC HC HC C O N H CX H1 H1 C O N H CX H1 C8 HC HC C8 HC HC C8 HC HC C8 HP HP N3 H H H C O N H CX H1 3C H1 CT HC HC HC OH HO C O N CT H1 H1 CT HC HC CT HC HC CX H1 C O N H CX H1 3C HC CT HC HC HC CT HC HC HC C O N H CX H1 CT HC HC CA CA HA CA HA C OH HO CA HA CA HA C O N H CX H1 2C HC HC CO O2 O2 C O N H CX H1 2C HC HC 3C HC CT HC HC HC CT HC HC HC C O N H CX H1 2C HC HC 3C HC CT HC HC HC CT HC HC HC C O N H CX H1 C8 HC HC C8 HC HC C8 HC HC C8 HP HP N3 H H H C O N H CX H1 CT HC HC HC C O N H CX H1 2C HC HC 2C HC HC CO O2 O2 C O N H CX H1 H1 C O N H CX H1 2C HC HC 2C HC HC C O N H H C O N H CX H1 CT HC HC HC C O N H CX H1 CT HC HC CC NB CR H5 NA H CW H4 C O N H CX H1 2C HC HC 2C HC HC C O N H H C O N CT H1 H1 CT HC HC CT HC HC CX H1 C O N H CX H1 2C HC HC C O N H H C O N H CX H1 CT HC HC CA CA HA CA HA CA HA CA HA CA HA C O N H CX H1 3C H1 CT HC HC HC OH HO C O N H CX H1 CT HC HC CA CA HA CA HA CA HA CA HA CA HA C O N H CX H1 C8 HC HC C8 HC HC C8 H1 H1 N2 H CA N2 H H N2 H H C O N H CX H1 3C HC CT HC HC HC CT HC HC HC C O N H CX H1 3C H1 CT HC HC HC OH HO C O N H CX H1 3C HC CT HC HC HC CT HC HC HC C O N H CX H1 H1 C O N H CX H1 2C HC HC CO O2 O2 C O N H CX H1 3C H1 CT HC HC HC OH HO C O N H CX H1 2C H1 H1 OH HO C O N H CX H1 2C H1 H1 SH HS C O N H CX H1 3C H1 CT HC HC HC OH HO C O N H CX H1 H1 C O N H CX H1 2C HC HC 2C HC HC C O N H H C O N H CX H1 H1 C O N CT H1 H1 CT HC HC CT HC HC CX H1 C O N H CX H1 2C H1 H1 OH HO C O N H CX H1 C8 HC HC C8 HC HC C8 HC HC C8 HP HP N3 H H H C O N H CX H1 C8 HC HC C8 HC HC C8 HC HC C8 HP HP N3 H H H C O N H CX H1 CT HC HC HC C O N H CX H1 CT HC HC HC C O N H CX H1 C8 HC HC C8 HC HC C8 HC HC C8 HP HP N3 H H H C O N H CX H1 CT HC HC CC NB CR H5 NA H CW H4 C O N H CX H1 C8 HC HC C8 HC HC C8 HC HC C8 HP HP N3 H H H C O N H CX H1 CT HC HC HC C O N H CX H1 CT HC HC HC C O N H CX H1 2C HC HC 2C HC HC CO O2 O2 C O N H CX H1 3C HC CT HC HC HC CT HC HC HC C O N H CX H1 CT HC HC HC C O N H CX H1 2C HC HC 3C HC CT HC HC HC CT HC HC HC C O N H CX H1 C8 HC HC C8 HC HC C8 HC HC C8 HP HP N3 H H H C O N H CX H1 CT HC HC CC NB CR H5 NA H CW H4 C O N H CX H1 2C HC HC 3C HC CT HC HC HC CT HC HC HC C O N H CX H1 C8 HC HC C8 HC HC C8 HC HC C8 HP HP N3 H H H C O N H CX H1 H1 C O2 O2 N3 H H H CX HP 2C H1 H1 SH HS C O N H CX H1 2C HC HC C O N H H C O N CT H1 H1 CT HC HC CT HC HC CX H1 C O N H CX H1 3C HC CT HC HC HC CT HC HC HC C O N H CX H1 H1 C O N H CX H1 CT HC HC HC C O N H CX H1 2C HC HC 3C HC CT HC HC HC CT HC HC HC C O N H CX H1 2C HC HC 2C HC HC C O N H H C O N H CX H1 2C HC HC 2C HC HC CO O2 O2 C O N H CX H1 2C HC HC 3C HC CT HC HC HC CT HC HC HC C O N H CX H1 3C HC CT HC HC HC CT HC HC HC C O N H CX H1 3C HC CT HC HC HC CT HC HC HC C O N H CX H1 2C HC HC 2C HC HC C O N H H C O N H CX H1 C8 HC HC C8 HC HC C8 HC HC C8 HP HP N3 H H H C O N H CX H1 H1 C O N H CX H1 CT HC HC C* CW H4 NA H CN CA HA CA HA CA HA CA HA CB C O N H CX H1 C8 HC HC C8 HC HC C8 H1 H1 N2 H CA N2 H H N2 H H C O N H CX H1 2C HC HC 3C HC CT HC HC HC CT HC HC HC C O N CT H1 H1 CT HC HC CT HC HC CX H1 C O N H CX H1 2C HC HC 2C HC HC CO O2 O2 C O N H CX H1 CT HC HC CA CA HA CA HA C OH HO CA HA CA HA C O N H CX H1 3C H1 CT HC HC HC OH HO C O N H CX H1 3C HC CT HC HC HC CT HC HC HC C O N H CX H1 3C H1 CT HC HC HC OH HO C O N H CX H1 2C HC HC 2C HC HC C O N H H C O N H CX H1 2C HC HC 2C HC HC CO O2 O2 C O N H CX H1 2C H1 H1 OH HO C O N H CX H1 H1 C O N CT H1 H1 CT HC HC CT HC HC CX H1 C O N H CX H1 CT HC HC HC C O N H CX H1 CT HC HC CC NB CR H5 NA H CW H4 C O N H CX H1 C8 HC HC C8 HC HC C8 H1 H1 N2 H CA N2 H H N2 H H C O N H CX H1 C8 HC HC C8 HC HC C8 HC HC C8 HP HP N3 H H H C O N H CX H1 2C HC HC 2C HC HC CO O2 O2 C O N H CX H1 CT HC HC CA CA HA CA HA CA HA CA HA CA HA C O N H CX H1 3C H1 CT HC HC HC OH HO C O N H CX H1 2C HC HC 2C H1 H1 S CT H1 H1 H1 C O N H CX H1 3C H1 CT HC HC HC OH HO C O N H CX H1 2C H1 H1 SH HS C O N H CX H1 C8 HC HC C8 HC HC C8 H1 H1 N2 H CA N2 H H N2 H H C O N H CX H1 3C HC CT HC HC HC CT HC HC HC C O N H CX H1 2C HC HC 2C HC HC CO O2 O2 C O N H CX H1 C8 HC HC C8 HC HC C8 H1 H1 N2 H CA N2 H H N2 H H C O N H CX H1 CT HC HC CA CA HA CA HA CA HA CA HA CA HA C O N H CX H1 3C HC CT HC HC HC 2C HC HC CT HC HC HC C O N H CX H1 2C HC HC 2C HC HC CO O2 O2 C O N H CX H1 3C HC CT HC HC HC 2C HC HC CT HC HC HC C O N H CX H1 H1 C O N H CX H1 2C H1 H1 OH HO C O N H CX H1 H1 C O N H CX H1 3C H1 CT HC HC HC OH HO C O N H CX H1 2C H1 H1 OH HO C O N H CX H1 C8 HC HC C8 HC HC C8 HC HC C8 HP HP N3 H H H C O N H CX H1 C8 HC HC C8 HC HC C8 HC HC C8 HP HP N3 H H H C O N H CX H1 2C HC HC 3C HC CT HC HC HC CT HC HC HC C O N H CX H1 CT HC HC HC C O N H CX H1 C8 HC HC C8 HC HC C8 HC HC C8 HP HP N3 H H H C O N H CX H1 C8 HC HC C8 HC HC C8 H1 H1 N2 H CA N2 H H N2 H H C O N H CX H1 2C HC HC C O N H H C O N H CX H1 CT HC HC HC C O N H CX H1 CT HC HC HC C O N H CX H1 CT HC HC HC C O N H CX H1 C8 HC HC C8 HC HC C8 HC HC C8 HP HP N3 H H H C O N H CX H1 2C HC HC 2C H1 H1 S CT H1 H1 H1 C O N H CX H1 2C HC HC 3C HC CT HC HC HC CT HC HC HC C O N H CX H1 2C HC HC 3C HC CT HC HC HC CT HC HC HC C O N H CX H1 C8 HC HC C8 HC HC C8 H1 H1 N2 H CA N2 H H N2 H H C O N H CX H1 3C HC CT HC HC HC CT HC HC HC C O N H CX H1 CT HC HC CC NB CR H5 NA H CW H4 C O N H CX H1 3C H1 CT HC HC HC OH HO C O2 O2 HO OH CT H1 H1 CT H1 OS CT H2 N* CM H4 CM HA C O NA H C O CT H1 CT H1 OH HO OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CM H4 CM HA C O NA H C O CT H1 CT H1 OH HO OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CK H5 NB CB CA N2 H H NC CQ H5 NC CB CT H1 CT H1 OH HO OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CK H5 NB CB CA N2 H H NC CQ H5 NC CB CT H1 CT H1 OH HO OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CM H4 CM HA C O NA H C O CT H1 CT H1 OH HO OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CM H4 CM HA C O NA H C O CT H1 CT H1 OH HO OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CK H5 NB CB CA N2 H H NC CQ H5 NC CB CT H1 CT H1 OH HO OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CM H4 CM HA C O NA H C O CT H1 CT H1 OH HO OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CM H4 CM HA CA N2 H H NC C O CT H1 CT H1 OH HO OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CM H4 CM HA C O NA H C O CT H1 CT H1 OH HO OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CK H5 NB CB CA N2 H H NC CQ H5 NC CB CT H1 CT H1 OH HO OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CM H4 CM HA C O NA H C O CT H1 CT H1 OH HO OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CM H4 CM HA C O NA H C O CT H1 CT H1 OH HO OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CM H4 CM HA CA N2 H H NC C O CT H1 CT H1 OH HO OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CM H4 CM HA CA N2 H H NC C O CT H1 CT H1 OH HO OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CK H5 NB CB C O NA H CA N2 H H NC CB CT H1 CT H1 OH HO OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CM H4 CM HA C O NA H C O CT H1 CT H1 OH HO OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CK H5 NB CB CA N2 H H NC CQ H5 NC CB CT H1 CT H1 OH HO OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CM H4 CM HA CA N2 H H NC C O CT H1 CT H1 OH HO OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CM H4 CM HA C O NA H C O CT H1 CT H1 OH HO OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CM H4 CM HA C O NA H C O CT H1 CT H1 OH HO OH HO HO OH CT H1 H1 CT H1 OS CT H2 N* CK H5 NB CB C O NA H CA N2 H H NC CB CT H1 CT H1 OH HO OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CM H4 CM HA C O NA H C O CT H1 CT H1 OH HO OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CK H5 NB CB CA N2 H H NC CQ H5 NC CB CT H1 CT H1 OH HO OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CM H4 CM HA CA N2 H H NC C O CT H1 CT H1 OH HO OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CK H5 NB CB C O NA H CA N2 H H NC CB CT H1 CT H1 OH HO OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CK H5 NB CB C O NA H CA N2 H H NC CB CT H1 CT H1 OH HO OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CK H5 NB CB CA N2 H H NC CQ H5 NC CB CT H1 CT H1 OH HO OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CK H5 NB CB CA N2 H H NC CQ H5 NC CB CT H1 CT H1 OH HO OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CM H4 CM HA C O NA H C O CT H1 CT H1 OH HO OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CK H5 NB CB CA N2 H H NC CQ H5 NC CB CT H1 CT H1 OH HO OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CK H5 NB CB C O NA H CA N2 H H NC CB CT H1 CT H1 OH HO OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CK H5 NB CB CA N2 H H NC CQ H5 NC CB CT H1 CT H1 OH HO OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CM H4 CM HA C O NA H C O CT H1 CT H1 OH HO OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CK H5 NB CB CA N2 H H NC CQ H5 NC CB CT H1 CT H1 OH HO OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CK H5 NB CB CA N2 H H NC CQ H5 NC CB CT H1 CT H1 OH HO OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CM H4 CM HA C O NA H C O CT H1 CT H1 OH HO OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CM H4 CM HA C O NA H C O CT H1 CT H1 OH HO OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CK H5 NB CB CA N2 H H NC CQ H5 NC CB CT H1 CT H1 OH HO OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CK H5 NB CB CA N2 H H NC CQ H5 NC CB CT H1 CT H1 OH HO OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CM H4 CM HA C O NA H C O CT H1 CT H1 OH HO OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CM H4 CM 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 M E M E E M E M E M E 3 E E S E M E M E M E 3 E E 3 E 3 E E E 3 E E E M E M 3 E E 3 E E B E E M E M E M E M E 3 E E S E M E M E M E 3 E 3 E E E 3 E E 3 E E E M E M E M E 3 E E 3 E E B E E M E M E M E 3 E E 3 E E B E B E E M E M E M E 3 E E 3 E E S 3 E E E M E M E M E 3 E E 3 E 3 E E E 3 E E E M E M E M E 3 E E E M E M E M E 3 E E E M E M E M E 3 E E B E B E E M E M 3 E E 3 E E B E E M E M E M E M E E M E M E M E 3 E E 3 E E 3 E E 3 E E 3 E E E M E M E M E 3 E 3 E E E S E M E M 3 E E 3 E E B E E M E M E M E M E 3 E 3 E E E 3 E E 3 E E E M E M E M E 3 E E S E M E M E M E 3 E E 3 E 3 E E E 3 E E E M E M E M E 3 E E 3 E 3 E E E 3 E E E M E M E M E 3 E E 3 E E B E B E E M E M E M E 3 E E 3 E E B E E M E M E M E 3 E E B B E B E B S E S E S E M E M E M E E M E M E M E 3 E 3 E E E S E M E M E M E 3 E E 3 E E 3 E E B E B B E E B E E M E M E M E 3 E 3 E E E 3 E E 3 E E E M E M E M E E M E M E M E 3 E E 3 E E 3 E E 3 E E 3 E E E M E M E M E 3 E 3 E E E S E M E M 3 E E 3 E E B E E M E M E M E M E 3 E 3 E E E 3 E E E M E M E M E 3 E E B B E B E B S E S E S E M E M E M E 3 E E B E E M E M E M E 3 E E 3 E 3 E E E 3 E E E M E M E M E 3 E E 3 E 3 E E E 3 E E E M E M E M E 3 E E 3 E E 3 E E 3 E E 3 E E E M E M E M E 3 E E E M E M E M E 3 E E 3 E E B E E M E M E M E E M E M E M E 3 E E 3 E E B E B E E M E M E M E 3 E E E M E M E M E 3 E E B E S E B E B E M E M E M E 3 E E 3 E E B E B E E M E M 3 E E 3 E E B E E M E M E M E M E 3 E E B E B E E M E M E M E 3 E E B B E B E B E S E S E M E M E M E 3 E 3 E E E S E M E M E M E 3 E E B B E B E B E S E S E M E M E M E 3 E E 3 E E 3 E E B E B B E E B E E M E M E M E 3 E 3 E E E 3 E E E M E M E M E 3 E 3 E E E S E M E M E M E 3 E 3 E E E 3 E E E M E M E M E E M E M E M E 3 E E B E E M E M E M E 3 E 3 E E E S E M E M E M E 3 E E S E M E M E M E 3 E E S E M E M E M E 3 E 3 E E E S E M E M E M E E M E M E M E 3 E E 3 E E B E B E E M E M E M E E M E M 3 E E 3 E E B E E M E M E M E M E 3 E E S E M E M E M E 3 E E 3 E E 3 E E 3 E E 3 E E E M E M E M E 3 E E 3 E E 3 E E 3 E E 3 E E E M E M E M E 3 E E E M E M E M E 3 E E E M E M E M E 3 E E 3 E E 3 E E 3 E E 3 E E E M E M E M E 3 E E B E S E B E B E M E M E M E 3 E E 3 E E 3 E E 3 E E 3 E E E M E M E M E 3 E E E M E M E M E 3 E E E M E M E M E 3 E E 3 E E B E E M E M E M E 3 E 3 E E E 3 E E E M E M E M E 3 E E E M E M E M E 3 E E 3 E 3 E E E 3 E E E M E M E M E 3 E E 3 E E 3 E E 3 E E 3 E E E M E M E M E 3 E E B E S E B E B E M E M E M E 3 E E 3 E 3 E E E 3 E E E M E M E M E 3 E E 3 E E 3 E E 3 E E 3 E E E M E BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA M E M E 3 E E B E B E E M E M 3 E E 3 E E B E E M E M E M E M E 3 E 3 E E E 3 E E E M E M E M E E M E M E M E 3 E E E M E M E M E 3 E E 3 E 3 E E E 3 E E E M E M E M E 3 E E 3 E E B E B E E M E M E M E 3 E E 3 E E B E E M E M E M E 3 E E 3 E 3 E E E 3 E E E M E M E M E 3 E 3 E E E 3 E E E M E M E M E 3 E 3 E E E 3 E E E M E M E M E 3 E E 3 E E B E B E E M E M E M E 3 E E 3 E E 3 E E 3 E E 3 E E E M E M E M E E M E M E M E 3 E E B B E B E S B E B E B E S E E M E M E M E 3 E E 3 E E 3 E E B E B B E E B E E M E M E M E 3 E E 3 E 3 E E E 3 E E E M E M 3 E E 3 E E B E E M E M E M E M E 3 E E 3 E E B E E M E M E M E 3 E E B B E B E B S E S E S E M E M E M E 3 E 3 E E E S E M E M E M E 3 E 3 E E E 3 E E E M E M E M E 3 E 3 E E E S E M E M E M E 3 E E 3 E E B E B E E M E M E M E 3 E E 3 E E B E E M E M E M E 3 E E S E M E M E M E E M E M 3 E E 3 E E B E E M E M E M E M E 3 E E E M E M E M E 3 E E B E S E B E B E M E M E M E 3 E E 3 E E 3 E E B E B B E E B E E M E M E M E 3 E E 3 E E 3 E E 3 E E 3 E E E M E M E M E 3 E E 3 E E B E E M E M E M E 3 E E B B E B E B E S E S E M E M E M E 3 E 3 E E E S E M E M E M E 3 E E 3 E E S 3 E E E M E M E M E 3 E 3 E E E S E M E M E M E 3 E E S E M E M E M E 3 E E 3 E E 3 E E B E B B E E B E E M E M E M E 3 E 3 E E E 3 E E E M E M E M E 3 E E 3 E E B E E M E M E M E 3 E E 3 E E 3 E E B E B B E E B E E M E M E M E 3 E E B B E B E B E S E S E M E M E M E 3 E 3 E E E 3 E E 3 E E E M E M E M E 3 E E 3 E E B E E M E M E M E 3 E 3 E E E 3 E E 3 E E E M E M E M E E M E M E M E 3 E E S E M E M E M E E M E M E M E 3 E 3 E E E S E M E M E M E 3 E E S E M E M E M E 3 E E 3 E E 3 E E 3 E E 3 E E E M E M E M E 3 E E 3 E E 3 E E 3 E E 3 E E E M E M E M E 3 E E 3 E 3 E E E 3 E E E M E M E M E 3 E E E M E M E M E 3 E E 3 E E 3 E E 3 E E 3 E E E M E M E M E 3 E E 3 E E 3 E E B E B B E E B E E M E M E M E 3 E E B E B E E M E M E M E 3 E E E M E M E M E 3 E E E M E M E M E 3 E E E M E M E M E 3 E E 3 E E 3 E E 3 E E 3 E E E M E M E M E 3 E E 3 E E S 3 E E E M E M E M E 3 E E 3 E 3 E E E 3 E E E M E M E M E 3 E E 3 E 3 E E E 3 E E E M E M E M E 3 E E 3 E E 3 E E B E B B E E B E E M E M E M E 3 E 3 E E E 3 E E E M E M E M E 3 E E B E S E B E B E M E BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA M 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 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 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 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 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 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 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 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 M 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 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 E B B E B E S B E E E 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7.90000000E-01 8.50000000E-01 8.50000000E-01 7.90000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 7.20000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.60000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.60000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.60000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 7.20000000E-01 7.20000000E-01 7.90000000E-01 8.50000000E-01 8.50000000E-01 7.90000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 7.20000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.60000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 7.20000000E-01 7.20000000E-01 7.90000000E-01 8.50000000E-01 8.50000000E-01 7.90000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 7.20000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.60000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.60000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 %FLAG IPOL %FORMAT(1I8) 0 # Restraints file 3: RST-2-tensors.dip &align num_datasets=2, ndip=261,dcut=-1, gigj = 99*-3.163, 59*1.973, 52*-0.796, 51*7.847, dwt = 261*0.1, freezemol=.true., id(1)=283, jd(1)=284, dobsl(1)= -10.64, dobsu(1)= -10.64, dataset(1)=1 id(2)=294, jd(2)=295, dobsl(2)= 5.75, dobsu(2)= 5.75, dataset(2)=1 id(3)=313, jd(3)=314, dobsl(3)= 24.09, dobsu(3)= 24.09, dataset(3)=1 id(4)=364, jd(4)=365, dobsl(4)= 11.89, dobsu(4)= 11.89, dataset(4)=1 id(5)=385, jd(5)=386, dobsl(5)= 19.01, dobsu(5)= 19.01, dataset(5)=1 id(6)=392, jd(6)=393, dobsl(6)= -5.49, dobsu(6)= -5.49, dataset(6)=1 id(7)=406, jd(7)=407, dobsl(7)= -3.84, dobsu(7)= -3.84, dataset(7)=1 id(8)=430, jd(8)=431, dobsl(8)= 23.93, dobsu(8)= 23.93, dataset(8)=1 id(9)=449, jd(9)=450, dobsl(9)= -15.25, dobsu(9)= -15.25, dataset(9)=1 id(10)=506, jd(10)=507, dobsl(10)= 21.06, dobsu(10)= 21.06, dataset(10)=1 id(11)=522, jd(11)=523, dobsl(11)= 5.59, dobsu(11)= 5.59, dataset(11)=1 id(12)=543, jd(12)=544, dobsl(12)= 2.30, dobsu(12)= 2.30, dataset(12)=1 id(13)=555, jd(13)=556, dobsl(13)= -9.20, dobsu(13)= -9.20, dataset(13)=1 id(14)=574, jd(14)=575, dobsl(14)= -33.40, dobsu(14)= -33.40, dataset(14)=1 id(15)=593, jd(15)=594, dobsl(15)= -19.12, dobsu(15)= -19.12, dataset(15)=1 id(16)=615, jd(16)=616, dobsl(16)= -22.45, dobsu(16)= -22.45, dataset(16)=1 id(17)=625, jd(17)=626, dobsl(17)= -10.11, dobsu(17)= -10.11, dataset(17)=1 id(18)=640, jd(18)=641, dobsl(18)= -20.07, dobsu(18)= -20.07, dataset(18)=1 id(19)=674, jd(19)=675, dobsl(19)= 2.85, dobsu(19)= 2.85, dataset(19)=1 id(20)=691, jd(20)=692, dobsl(20)= -31.07, dobsu(20)= -31.07, dataset(20)=1 id(21)=722, jd(21)=723, dobsl(21)= -25.17, dobsu(21)= -25.17, dataset(21)=1 id(22)=736, jd(22)=737, dobsl(22)= -35.27, dobsu(22)= -35.27, dataset(22)=1 id(23)=756, jd(23)=757, dobsl(23)= -14.45, dobsu(23)= -14.45, dataset(23)=1 id(24)=770, jd(24)=771, dobsl(24)= -22.83, dobsu(24)= -22.83, dataset(24)=1 id(25)=790, jd(25)=791, dobsl(25)= -0.52, dobsu(25)= -0.52, dataset(25)=1 id(26)=814, jd(26)=815, dobsl(26)= 6.63, dobsu(26)= 6.63, dataset(26)=1 id(27)=830, jd(27)=831, dobsl(27)= 16.95, dobsu(27)= 16.95, dataset(27)=1 id(28)=844, jd(28)=845, dobsl(28)= 6.30, dobsu(28)= 6.30, dataset(28)=1 id(29)=860, jd(29)=861, dobsl(29)= 11.64, dobsu(29)= 11.64, dataset(29)=1 id(30)=893, jd(30)=894, dobsl(30)= 10.13, dobsu(30)= 10.13, dataset(30)=1 id(31)=904, jd(31)=905, dobsl(31)= 8.75, dobsu(31)= 8.75, dataset(31)=1 id(32)=915, jd(32)=916, dobsl(32)= 6.50, dobsu(32)= 6.50, dataset(32)=1 id(33)=929, jd(33)=930, dobsl(33)= -11.08, dobsu(33)= -11.08, dataset(33)=1 id(34)=953, jd(34)=954, dobsl(34)= -23.05, dobsu(34)= -23.05, dataset(34)=1 id(35)=974, jd(35)=975, dobsl(35)= 36.95, dobsu(35)= 36.95, dataset(35)=1 id(36)=985, jd(36)=986, dobsl(36)= 32.38, dobsu(36)= 32.38, dataset(36)=1 id(37)=1007, jd(37)=1008, dobsl(37)= 32.32, dobsu(37)= 32.32, dataset(37)=1 id(38)=1039, jd(38)=1040, dobsl(38)= 28.95, dobsu(38)= 28.95, dataset(38)=1 id(39)=1071, jd(39)=1072, dobsl(39)= 32.95, dobsu(39)= 32.95, dataset(39)=1 id(40)=1088, jd(40)=1089, dobsl(40)= 37.54, dobsu(40)= 37.54, dataset(40)=1 id(41)=1110, jd(41)=1111, dobsl(41)= 30.34, dobsu(41)= 30.34, dataset(41)=1 id(42)=1130, jd(42)=1131, dobsl(42)= 35.23, dobsu(42)= 35.23, dataset(42)=1 id(43)=1161, jd(43)=1162, dobsl(43)= 31.18, dobsu(43)= 31.18, dataset(43)=1 id(44)=1171, jd(44)=1172, dobsl(44)= 35.03, dobsu(44)= 35.03, dataset(44)=1 id(45)=1291, jd(45)=1292, dobsl(45)= 9.92, dobsu(45)= 9.92, dataset(45)=2 id(46)=1319, jd(46)=1320, dobsl(46)= -2.40, dobsu(46)= -2.40, dataset(46)=2 id(47)=1335, jd(47)=1336, dobsl(47)= 1.18, dobsu(47)= 1.18, dataset(47)=2 id(48)=1342, jd(48)=1343, dobsl(48)= 11.39, dobsu(48)= 11.39, dataset(48)=2 id(49)=1352, jd(49)=1353, dobsl(49)= 15.21, dobsu(49)= 15.21, dataset(49)=2 id(50)=1371, jd(50)=1372, dobsl(50)= 2.26, dobsu(50)= 2.26, dataset(50)=2 id(51)=1422, jd(51)=1423, dobsl(51)= 9.44, dobsu(51)= 9.44, dataset(51)=2 id(52)=1454, jd(52)=1455, dobsl(52)= 10.64, dobsu(52)= 10.64, dataset(52)=2 id(53)=1471, jd(53)=1472, dobsl(53)= 17.29, dobsu(53)= 17.29, dataset(53)=2 id(54)=1493, jd(54)=1494, dobsl(54)= -12.89, dobsu(54)= -12.89, dataset(54)=2 id(55)=1500, jd(55)=1501, dobsl(55)= -9.18, dobsu(55)= -9.18, dataset(55)=2 id(56)=1548, jd(56)=1549, dobsl(56)= -1.86, dobsu(56)= -1.86, dataset(56)=2 id(57)=1581, jd(57)=1582, dobsl(57)= -15.96, dobsu(57)= -15.96, dataset(57)=2 id(58)=1596, jd(58)=1597, dobsl(58)= -9.73, dobsu(58)= -9.73, dataset(58)=2 id(59)=1617, jd(59)=1618, dobsl(59)= -9.29, dobsu(59)= -9.29, dataset(59)=2 id(60)=1631, jd(60)=1632, dobsl(60)= -8.70, dobsu(60)= -8.70, dataset(60)=2 id(61)=1647, jd(61)=1648, dobsl(61)= -2.87, dobsu(61)= -2.87, dataset(61)=2 id(62)=1678, jd(62)=1679, dobsl(62)= -2.00, dobsu(62)= -2.00, dataset(62)=2 id(63)=1693, jd(63)=1694, dobsl(63)= 1.22, dobsu(63)= 1.22, dataset(63)=2 id(64)=1704, jd(64)=1705, dobsl(64)= -5.85, dobsu(64)= -5.85, dataset(64)=2 id(65)=1725, jd(65)=1726, dobsl(65)= 13.69, dobsu(65)= 13.69, dataset(65)=2 id(66)=1752, jd(66)=1753, dobsl(66)= -5.09, dobsu(66)= -5.09, dataset(66)=2 id(67)=1798, jd(67)=1799, dobsl(67)= 1.28, dobsu(67)= 1.28, dataset(67)=2 id(68)=1813, jd(68)=1814, dobsl(68)= -4.03, dobsu(68)= -4.03, dataset(68)=2 id(69)=1833, jd(69)=1834, dobsl(69)= 1.25, dobsu(69)= 1.25, dataset(69)=2 id(70)=1847, jd(70)=1848, dobsl(70)= -4.80, dobsu(70)= -4.80, dataset(70)=2 id(71)=1864, jd(71)=1865, dobsl(71)= -5.03, dobsu(71)= -5.03, dataset(71)=2 id(72)=1878, jd(72)=1879, dobsl(72)= -10.13, dobsu(72)= -10.13, dataset(72)=2 id(73)=1889, jd(73)=1890, dobsl(73)= -14.29, dobsu(73)= -14.29, dataset(73)=2 id(74)=1913, jd(74)=1914, dobsl(74)= -10.61, dobsu(74)= -10.61, dataset(74)=2 id(75)=1968, jd(75)=1969, dobsl(75)= 0.90, dobsu(75)= 0.90, dataset(75)=2 id(76)=1988, jd(76)=1989, dobsl(76)= -14.02, dobsu(76)= -14.02, dataset(76)=2 id(77)=2007, jd(77)=2008, dobsl(77)= -10.35, dobsu(77)= -10.35, dataset(77)=2 id(78)=2022, jd(78)=2023, dobsl(78)= -10.44, dobsu(78)= -10.44, dataset(78)=2 id(79)=2041, jd(79)=2042, dobsl(79)= -3.90, dobsu(79)= -3.90, dataset(79)=2 id(80)=2048, jd(80)=2049, dobsl(80)= -2.40, dobsu(80)= -2.40, dataset(80)=2 id(81)=2059, jd(81)=2060, dobsl(81)= 1.78, dobsu(81)= 1.78, dataset(81)=2 id(82)=2066, jd(82)=2067, dobsl(82)= -0.80, dobsu(82)= -0.80, dataset(82)=2 id(83)=2080, jd(83)=2081, dobsl(83)= -1.37, dobsu(83)= -1.37, dataset(83)=2 id(84)=2091, jd(84)=2092, dobsl(84)= -7.23, dobsu(84)= -7.23, dataset(84)=2 id(85)=2113, jd(85)=2114, dobsl(85)= -1.81, dobsu(85)= -1.81, dataset(85)=2 id(86)=2135, jd(86)=2136, dobsl(86)= 12.03, dobsu(86)= 12.03, dataset(86)=2 id(87)=2154, jd(87)=2155, dobsl(87)= -0.56, dobsu(87)= -0.56, dataset(87)=2 id(88)=2186, jd(88)=2187, dobsl(88)= 4.14, dobsu(88)= 4.14, dataset(88)=2 id(89)=2210, jd(89)=2211, dobsl(89)= 9.82, dobsu(89)= 9.82, dataset(89)=2 id(90)=2224, jd(90)=2225, dobsl(90)= -5.61, dobsu(90)= -5.61, dataset(90)=2 id(91)=2234, jd(91)=2235, dobsl(91)= -5.11, dobsu(91)= -5.11, dataset(91)=2 id(92)=2244, jd(92)=2245, dobsl(92)= 10.30, dobsu(92)= 10.30, dataset(92)=2 id(93)=2254, jd(93)=2255, dobsl(93)= 6.62, dobsu(93)= 6.62, dataset(93)=2 id(94)=2276, jd(94)=2277, dobsl(94)= -4.57, dobsu(94)= -4.57, dataset(94)=2 id(95)=2293, jd(95)=2294, dobsl(95)= 3.50, dobsu(95)= 3.50, dataset(95)=2 id(96)=2312, jd(96)=2313, dobsl(96)= 17.84, dobsu(96)= 17.84, dataset(96)=2 id(97)=2331, jd(97)=2332, dobsl(97)= -1.78, dobsu(97)= -1.78, dataset(97)=2 id(98)=2355, jd(98)=2356, dobsl(98)= -2.79, dobsu(98)= -2.79, dataset(98)=2 id(99)=2371, jd(99)=2372, dobsl(99)= 14.97, dobsu(99)= 14.97, dataset(99)=2 id(100)=1315, jd(100)=1317, dobsl(100)= 0.79, dobsu(100)= 0.79, dataset(100)=2 id(101)=1321, jd(101)=1333, dobsl(101)= -4.06, dobsu(101)= -4.06, dataset(101)=2 id(102)=1337, jd(102)=1340, dobsl(102)= -0.79, dobsu(102)= -0.79, dataset(102)=2 id(103)=1344, jd(103)=1350, dobsl(103)= 3.09, dobsu(103)= 3.09, dataset(103)=2 id(104)=1354, jd(104)=1369, dobsl(104)= -0.64, dobsu(104)= -0.64, dataset(104)=2 id(105)=1390, jd(105)=1401, dobsl(105)= 2.40, dobsu(105)= 2.40, dataset(105)=2 id(106)=1405, jd(106)=1420, dobsl(106)= 2.06, dobsu(106)= 2.06, dataset(106)=2 id(107)=1424, jd(107)=1436, dobsl(107)= -1.79, dobsu(107)= -1.79, dataset(107)=2 id(108)=1440, jd(108)=1452, dobsl(108)= -3.03, dobsu(108)= -3.03, dataset(108)=2 id(109)=1456, jd(109)=1469, dobsl(109)= 3.38, dobsu(109)= 3.38, dataset(109)=2 id(110)=1473, jd(110)=1491, dobsl(110)= 1.02, dobsu(110)= 1.02, dataset(110)=2 id(111)=1495, jd(111)=1498, dobsl(111)= -1.87, dobsu(111)= -1.87, dataset(111)=2 id(112)=1502, jd(112)=1522, dobsl(112)= 1.26, dobsu(112)= 1.26, dataset(112)=2 id(113)=1526, jd(113)=1546, dobsl(113)= -0.62, dobsu(113)= -0.62, dataset(113)=2 id(114)=1577, jd(114)=1579, dobsl(114)= -1.09, dobsu(114)= -1.09, dataset(114)=2 id(115)=1583, jd(115)=1594, dobsl(115)= -3.20, dobsu(115)= -3.20, dataset(115)=2 id(116)=1598, jd(116)=1615, dobsl(116)= -2.44, dobsu(116)= -2.44, dataset(116)=2 id(117)=1619, jd(117)=1629, dobsl(117)= -2.72, dobsu(117)= -2.72, dataset(117)=2 id(118)=1633, jd(118)=1645, dobsl(118)= 1.73, dobsu(118)= 1.73, dataset(118)=2 id(119)=1649, jd(119)=1659, dobsl(119)= -3.90, dobsu(119)= -3.90, dataset(119)=2 id(120)=1663, jd(120)=1676, dobsl(120)= 3.08, dobsu(120)= 3.08, dataset(120)=2 id(121)=1680, jd(121)=1691, dobsl(121)= -3.58, dobsu(121)= -3.58, dataset(121)=2 id(122)=1695, jd(122)=1702, dobsl(122)= 1.14, dobsu(122)= 1.14, dataset(122)=2 id(123)=1721, jd(123)=1723, dobsl(123)= 0.05, dobsu(123)= 0.05, dataset(123)=2 id(124)=1778, jd(124)=1796, dobsl(124)= 0.06, dobsu(124)= 0.06, dataset(124)=2 id(125)=1800, jd(125)=1811, dobsl(125)= -0.03, dobsu(125)= -0.03, dataset(125)=2 id(126)=1815, jd(126)=1831, dobsl(126)= 0.40, dobsu(126)= 0.40, dataset(126)=2 id(127)=1835, jd(127)=1845, dobsl(127)= -2.24, dobsu(127)= -2.24, dataset(127)=2 id(128)=1849, jd(128)=1862, dobsl(128)= 0.65, dobsu(128)= 0.65, dataset(128)=2 id(129)=1866, jd(129)=1876, dobsl(129)= -3.20, dobsu(129)= -3.20, dataset(129)=2 id(130)=1880, jd(130)=1887, dobsl(130)= 1.59, dobsu(130)= 1.59, dataset(130)=2 id(131)=1891, jd(131)=1911, dobsl(131)= -3.90, dobsu(131)= -3.90, dataset(131)=2 id(132)=1915, jd(132)=1927, dobsl(132)= 2.71, dobsu(132)= 2.71, dataset(132)=2 id(133)=1970, jd(133)=1986, dobsl(133)= -1.27, dobsu(133)= -1.27, dataset(133)=2 id(134)=1990, jd(134)=2005, dobsl(134)= -0.11, dobsu(134)= -0.11, dataset(134)=2 id(135)=2009, jd(135)=2020, dobsl(135)= -1.21, dobsu(135)= -1.21, dataset(135)=2 id(136)=2024, jd(136)=2039, dobsl(136)= 2.10, dobsu(136)= 2.10, dataset(136)=2 id(137)=2043, jd(137)=2046, dobsl(137)= -3.02, dobsu(137)= -3.02, dataset(137)=2 id(138)=2050, jd(138)=2057, dobsl(138)= 3.07, dobsu(138)= 3.07, dataset(138)=2 id(139)=2061, jd(139)=2064, dobsl(139)= -1.03, dobsu(139)= -1.03, dataset(139)=2 id(140)=2068, jd(140)=2078, dobsl(140)= 1.44, dobsu(140)= 1.44, dataset(140)=2 id(141)=2082, jd(141)=2089, dobsl(141)= -1.37, dobsu(141)= -1.37, dataset(141)=2 id(142)=2093, jd(142)=2111, dobsl(142)= -3.29, dobsu(142)= -3.29, dataset(142)=2 id(143)=2115, jd(143)=2133, dobsl(143)= 2.24, dobsu(143)= 2.24, dataset(143)=2 id(144)=2137, jd(144)=2152, dobsl(144)= 3.94, dobsu(144)= 3.94, dataset(144)=2 id(145)=2156, jd(145)=2162, dobsl(145)= -4.56, dobsu(145)= -4.56, dataset(145)=2 id(146)=2166, jd(146)=2184, dobsl(146)= -1.60, dobsu(146)= -1.60, dataset(146)=2 id(147)=2188, jd(147)=2208, dobsl(147)= 3.31, dobsu(147)= 3.31, dataset(147)=2 id(148)=2212, jd(148)=2222, dobsl(148)= 1.78, dobsu(148)= 1.78, dataset(148)=2 id(149)=2226, jd(149)=2232, dobsl(149)= -4.57, dobsu(149)= -4.57, dataset(149)=2 id(150)=2236, jd(150)=2242, dobsl(150)= 0.79, dobsu(150)= 0.79, dataset(150)=2 id(151)=2246, jd(151)=2252, dobsl(151)= 3.42, dobsu(151)= 3.42, dataset(151)=2 id(152)=2256, jd(152)=2274, dobsl(152)= -2.33, dobsu(152)= -2.33, dataset(152)=2 id(153)=2278, jd(153)=2291, dobsl(153)= -3.07, dobsu(153)= -3.07, dataset(153)=2 id(154)=2295, jd(154)=2310, dobsl(154)= 2.27, dobsu(154)= 2.27, dataset(154)=2 id(155)=2314, jd(155)=2329, dobsl(155)= 2.40, dobsu(155)= 2.40, dataset(155)=2 id(156)=2333, jd(156)=2353, dobsl(156)= -3.83, dobsu(156)= -3.83, dataset(156)=2 id(157)=2357, jd(157)=2369, dobsl(157)= -1.41, dobsu(157)= -1.41, dataset(157)=2 id(158)=2373, jd(158)=2386, dobsl(158)= 0.52, dobsu(158)= 0.52, dataset(158)=2 id(159)=1291, jd(159)=1289, dobsl(159)= -0.01, dobsu(159)= -0.01, dataset(159)=2 id(160)=1319, jd(160)=1317, dobsl(160)= -0.22, dobsu(160)= -0.22, dataset(160)=2 id(161)=1335, jd(161)=1333, dobsl(161)= -1.56, dobsu(161)= -1.56, dataset(161)=2 id(162)=1352, jd(162)=1350, dobsl(162)= 0.96, dobsu(162)= 0.96, dataset(162)=2 id(163)=1371, jd(163)=1369, dobsl(163)= -2.11, dobsu(163)= -2.11, dataset(163)=2 id(164)=1422, jd(164)=1420, dobsl(164)= 0.75, dobsu(164)= 0.75, dataset(164)=2 id(165)=1454, jd(165)=1452, dobsl(165)= -0.95, dobsu(165)= -0.95, dataset(165)=2 id(166)=1471, jd(166)=1469, dobsl(166)= 0.60, dobsu(166)= 0.60, dataset(166)=2 id(167)=1493, jd(167)=1491, dobsl(167)= -1.46, dobsu(167)= -1.46, dataset(167)=2 id(168)=1500, jd(168)=1498, dobsl(168)= 1.86, dobsu(168)= 1.86, dataset(168)=2 id(169)=1548, jd(169)=1546, dobsl(169)= -1.76, dobsu(169)= -1.76, dataset(169)=2 id(170)=1581, jd(170)=1579, dobsl(170)= 0.18, dobsu(170)= 0.18, dataset(170)=2 id(171)=1596, jd(171)=1594, dobsl(171)= -0.54, dobsu(171)= -0.54, dataset(171)=2 id(172)=1617, jd(172)=1615, dobsl(172)= 0.64, dobsu(172)= 0.64, dataset(172)=2 id(173)=1631, jd(173)=1629, dobsl(173)= 0.65, dobsu(173)= 0.65, dataset(173)=2 id(174)=1678, jd(174)=1676, dobsl(174)= 1.70, dobsu(174)= 1.70, dataset(174)=2 id(175)=1693, jd(175)=1691, dobsl(175)= -0.54, dobsu(175)= -0.54, dataset(175)=2 id(176)=1704, jd(176)=1702, dobsl(176)= 1.82, dobsu(176)= 1.82, dataset(176)=2 id(177)=1725, jd(177)=1723, dobsl(177)= -1.45, dobsu(177)= -1.45, dataset(177)=2 id(178)=1798, jd(178)=1796, dobsl(178)= -1.36, dobsu(178)= -1.36, dataset(178)=2 id(179)=1813, jd(179)=1811, dobsl(179)= 2.36, dobsu(179)= 2.36, dataset(179)=2 id(180)=1833, jd(180)=1831, dobsl(180)= -1.51, dobsu(180)= -1.51, dataset(180)=2 id(181)=1847, jd(181)=1845, dobsl(181)= 2.00, dobsu(181)= 2.00, dataset(181)=2 id(182)=1864, jd(182)=1862, dobsl(182)= -0.39, dobsu(182)= -0.39, dataset(182)=2 id(183)=1878, jd(183)=1876, dobsl(183)= 0.75, dobsu(183)= 0.75, dataset(183)=2 id(184)=1889, jd(184)=1887, dobsl(184)= 0.40, dobsu(184)= 0.40, dataset(184)=2 id(185)=1913, jd(185)=1911, dobsl(185)= -0.03, dobsu(185)= -0.03, dataset(185)=2 id(186)=1968, jd(186)=1966, dobsl(186)= -1.85, dobsu(186)= -1.85, dataset(186)=2 id(187)=1988, jd(187)=1986, dobsl(187)= 1.94, dobsu(187)= 1.94, dataset(187)=2 id(188)=2007, jd(188)=2005, dobsl(188)= -2.10, dobsu(188)= -2.10, dataset(188)=2 id(189)=2022, jd(189)=2020, dobsl(189)= 1.42, dobsu(189)= 1.42, dataset(189)=2 id(190)=2041, jd(190)=2039, dobsl(190)= -1.84, dobsu(190)= -1.84, dataset(190)=2 id(191)=2048, jd(191)=2046, dobsl(191)= -0.01, dobsu(191)= -0.01, dataset(191)=2 id(192)=2059, jd(192)=2057, dobsl(192)= -0.11, dobsu(192)= -0.11, dataset(192)=2 id(193)=2066, jd(193)=2064, dobsl(193)= -1.77, dobsu(193)= -1.77, dataset(193)=2 id(194)=2080, jd(194)=2078, dobsl(194)= 1.90, dobsu(194)= 1.90, dataset(194)=2 id(195)=2091, jd(195)=2089, dobsl(195)= -0.59, dobsu(195)= -0.59, dataset(195)=2 id(196)=2113, jd(196)=2111, dobsl(196)= -2.17, dobsu(196)= -2.17, dataset(196)=2 id(197)=2135, jd(197)=2133, dobsl(197)= 1.09, dobsu(197)= 1.09, dataset(197)=2 id(198)=2154, jd(198)=2152, dobsl(198)= -0.02, dobsu(198)= -0.02, dataset(198)=2 id(199)=2164, jd(199)=2162, dobsl(199)= -1.26, dobsu(199)= -1.26, dataset(199)=2 id(200)=2186, jd(200)=2184, dobsl(200)= -1.59, dobsu(200)= -1.59, dataset(200)=2 id(201)=2210, jd(201)=2208, dobsl(201)= 1.72, dobsu(201)= 1.72, dataset(201)=2 id(202)=2224, jd(202)=2222, dobsl(202)= -0.83, dobsu(202)= -0.83, dataset(202)=2 id(203)=2244, jd(203)=2242, dobsl(203)= 0.64, dobsu(203)= 0.64, dataset(203)=2 id(204)=2254, jd(204)=2252, dobsl(204)= 0.29, dobsu(204)= 0.29, dataset(204)=2 id(205)=2276, jd(205)=2274, dobsl(205)= -1.07, dobsu(205)= -1.07, dataset(205)=2 id(206)=2293, jd(206)=2291, dobsl(206)= -1.83, dobsu(206)= -1.83, dataset(206)=2 id(207)=2312, jd(207)=2310, dobsl(207)= 1.04, dobsu(207)= 1.04, dataset(207)=2 id(208)=2331, jd(208)=2329, dobsl(208)= -0.59, dobsu(208)= -0.59, dataset(208)=2 id(209)=2355, jd(209)=2353, dobsl(209)= -1.36, dobsu(209)= -1.36, dataset(209)=2 id(210)=2371, jd(210)=2369, dobsl(210)= -0.92, dobsu(210)= -0.92, dataset(210)=2 id(211)=1292, jd(211)=1289, dobsl(211)= -3.27, dobsu(211)= -3.27, dataset(211)=2 id(212)=1320, jd(212)=1317, dobsl(212)= -2.96, dobsu(212)= -2.96, dataset(212)=2 id(213)=1336, jd(213)=1333, dobsl(213)= 3.71, dobsu(213)= 3.71, dataset(213)=2 id(214)=1353, jd(214)=1350, dobsl(214)= -6.24, dobsu(214)= -6.24, dataset(214)=2 id(215)=1372, jd(215)=1369, dobsl(215)= 4.30, dobsu(215)= 4.30, dataset(215)=2 id(216)=1423, jd(216)=1420, dobsl(216)= -4.52, dobsu(216)= -4.52, dataset(216)=2 id(217)=1455, jd(217)=1452, dobsl(217)= 0.55, dobsu(217)= 0.55, dataset(217)=2 id(218)=1472, jd(218)=1469, dobsl(218)= -6.04, dobsu(218)= -6.04, dataset(218)=2 id(219)=1494, jd(219)=1491, dobsl(219)= 4.26, dobsu(219)= 4.26, dataset(219)=2 id(220)=1501, jd(220)=1498, dobsl(220)= -1.53, dobsu(220)= -1.53, dataset(220)=2 id(221)=1549, jd(221)=1546, dobsl(221)= 3.78, dobsu(221)= 3.78, dataset(221)=2 id(222)=1582, jd(222)=1579, dobsl(222)= 3.64, dobsu(222)= 3.64, dataset(222)=2 id(223)=1597, jd(223)=1594, dobsl(223)= 4.20, dobsu(223)= 4.20, dataset(223)=2 id(224)=1618, jd(224)=1615, dobsl(224)= 1.50, dobsu(224)= 1.50, dataset(224)=2 id(225)=1632, jd(225)=1629, dobsl(225)= 1.55, dobsu(225)= 1.55, dataset(225)=2 id(226)=1679, jd(226)=1676, dobsl(226)= -3.95, dobsu(226)= -3.95, dataset(226)=2 id(227)=1694, jd(227)=1691, dobsl(227)= 1.72, dobsu(227)= 1.72, dataset(227)=2 id(228)=1705, jd(228)=1702, dobsl(228)= -3.59, dobsu(228)= -3.59, dataset(228)=2 id(229)=1799, jd(229)=1796, dobsl(229)= 2.96, dobsu(229)= 2.96, dataset(229)=2 id(230)=1814, jd(230)=1811, dobsl(230)= -3.39, dobsu(230)= -3.39, dataset(230)=2 id(231)=1834, jd(231)=1831, dobsl(231)= 2.41, dobsu(231)= 2.41, dataset(231)=2 id(232)=1848, jd(232)=1845, dobsl(232)= -1.86, dobsu(232)= -1.86, dataset(232)=2 id(233)=1865, jd(233)=1862, dobsl(233)= 1.37, dobsu(233)= 1.37, dataset(233)=2 id(234)=1879, jd(234)=1876, dobsl(234)= 1.83, dobsu(234)= 1.83, dataset(234)=2 id(235)=1890, jd(235)=1887, dobsl(235)= 1.34, dobsu(235)= 1.34, dataset(235)=2 id(236)=1914, jd(236)=1911, dobsl(236)= 3.67, dobsu(236)= 3.67, dataset(236)=2 id(237)=1969, jd(237)=1966, dobsl(237)= 3.06, dobsu(237)= 3.06, dataset(237)=2 id(238)=1989, jd(238)=1986, dobsl(238)= -0.49, dobsu(238)= -0.49, dataset(238)=2 id(239)=2008, jd(239)=2005, dobsl(239)= 4.54, dobsu(239)= 4.54, dataset(239)=2 id(240)=2023, jd(240)=2020, dobsl(240)= -0.72, dobsu(240)= -0.72, dataset(240)=2 id(241)=2042, jd(241)=2039, dobsl(241)= 2.65, dobsu(241)= 2.65, dataset(241)=2 id(242)=2049, jd(242)=2046, dobsl(242)= 0.68, dobsu(242)= 0.68, dataset(242)=2 id(243)=2060, jd(243)=2057, dobsl(243)= -1.37, dobsu(243)= -1.37, dataset(243)=2 id(244)=2067, jd(244)=2064, dobsl(244)= 3.22, dobsu(244)= 3.22, dataset(244)=2 id(245)=2081, jd(245)=2078, dobsl(245)= -4.70, dobsu(245)= -4.70, dataset(245)=2 id(246)=2092, jd(246)=2089, dobsl(246)= 2.62, dobsu(246)= 2.62, dataset(246)=2 id(247)=2114, jd(247)=2111, dobsl(247)= 5.59, dobsu(247)= 5.59, dataset(247)=2 id(248)=2136, jd(248)=2133, dobsl(248)= -5.89, dobsu(248)= -5.89, dataset(248)=2 id(249)=2155, jd(249)=2152, dobsl(249)= -1.36, dobsu(249)= -1.36, dataset(249)=2 id(250)=2165, jd(250)=2162, dobsl(250)= 4.14, dobsu(250)= 4.14, dataset(250)=2 id(251)=2187, jd(251)=2184, dobsl(251)= 2.26, dobsu(251)= 2.26, dataset(251)=2 id(252)=2211, jd(252)=2208, dobsl(252)= -6.43, dobsu(252)= -6.43, dataset(252)=2 id(253)=2225, jd(253)=2222, dobsl(253)= 1.07, dobsu(253)= 1.07, dataset(253)=2 id(254)=2245, jd(254)=2242, dobsl(254)= -3.26, dobsu(254)= -3.26, dataset(254)=2 id(255)=2255, jd(255)=2252, dobsl(255)= -4.16, dobsu(255)= -4.16, dataset(255)=2 id(256)=2277, jd(256)=2274, dobsl(256)= 2.34, dobsu(256)= 2.34, dataset(256)=2 id(257)=2294, jd(257)=2291, dobsl(257)= 3.71, dobsu(257)= 3.71, dataset(257)=2 id(258)=2313, jd(258)=2310, dobsl(258)= -5.93, dobsu(258)= -5.93, dataset(258)=2 id(259)=2332, jd(259)=2329, dobsl(259)= -0.62, dobsu(259)= -0.62, dataset(259)=2 id(260)=2356, jd(260)=2353, dobsl(260)= 3.76, dobsu(260)= 3.76, dataset(260)=2 id(261)=2372, jd(261)=2369, dobsl(261)= -0.60, dobsu(261)= -0.60, dataset(261)=2 &end
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