NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
645124 | 6sdw | 34421 | cing | 1-original | 4 | unknown | unknown |
# Restraints file 2: prmtop_34 %VERSION VERSION_STAMP = V0001.000 DATE = 12/11/18 15:17:55 %FLAG TITLE %FORMAT(20a4) default_name %FLAG POINTERS %FORMAT(10I8) 3954 17 1846 2214 4247 3141 8367 6057 0 0 22053 211 2214 3141 6057 59 131 59 32 0 0 0 0 0 0 0 0 0 34 0 0 %FLAG ATOM_NAME %FORMAT(20a4) 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' 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 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 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' 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' 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 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 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 N4 H41 H42 N3 C2 O2 C3' H3' C2' H2'1O2' HO'2 O3' 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' 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' H5'1H5'2 C4' 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 O6 N1 H1 C2 N2 H21 H22 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' 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 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 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' 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' 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' 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'2 O3' 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 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 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 N4 H41 H42 N3 C2 O2 C3' H3' C2' H2'1O2' HO'2O3' H3T N H1 H2 H3 CA HA2 HA3 C O N H CA HA CB HB2 HB3 OG HG 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 SD CE HE1 HE2 HE3 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 OG HG C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD OE1 OE2 C O N H CA HA CB HB CG2 HG21HG22HG23 CG1 HG12HG13CD1 HD11HD12HD13C O N H CA HA CB HB2 HB3 OG HG C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD OE1 NE2 HE21HE22C O N H CA HA CB HB CG1 HG11HG12HG13CG2 HG21HG22HG23C 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 OE1 OE2 C O N H CA HA CB HB CG2 HG21HG22HG23CG1 HG12 HG13CD1 HD11HD12HD13C 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 HG2 HG3 CD HD2 HD3 NE HE CZ NH1 HH11HH12NH2 HH21HH22 C O N H CA HA CB HB2 HB3 CG OD1 ND2 HD21HD22C O N H CA HA CB HB2 HB3 CG HG CD1 HD11HD12HD13CD2 HD21HD22HD23C 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 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 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 HG2 HG3 CD HD2 HD3 NE HE CZ NH1 HH11HH12NH2 HH21HH22C 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 CD HD2 HD3 CG HG2 HG3 CB HB2 HB3 CA HA 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 SD CE HE1 HE2 HE3 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 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 CG1 HG11HG12HG13CG2 HG21HG22HG23C 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 CE HE2 HE3 NZ HZ1 HZ2 HZ3 C O N H CA HA CB HB CG1 HG11HG12HG13CG2 HG21HG22 HG23C O N H CA HA CB HB2 HB3 OG HG 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 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 CG1 HG11 HG12HG13CG2 HG21HG22HG23C O N H CA HA2 HA3 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 OE2 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 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 HB CG2 HG21HG22HG23CG1 HG12HG13CD1 HD11HD12HD13C 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 OD1 ND2 HD21HD22C 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 HB CG2 HG21HG22HG23CG1 HG12HG13CD1 HD11HD12 HD13C O N H CA HA CB HB1 HB2 HB3 C O N H CA HA CB HB CG1 HG11HG12HG13CG2 HG21HG22HG23C O N H CA HA CB HB2 HB3 CG HG CD1 HD11 HD12HD13CD2 HD21HD22HD23C 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 OE2 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 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 CD HD2 HD3 CG HG2 HG3 CB HB2 HB3 CA HA C O N CD HD2 HD3 CG HG2 HG3 CB HB2 HB3 CA HA C O N H CA HA CB HB2 HB3 CG HG CD1 HD11HD12 HD13CD2 HD21HD22HD23C 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 HB CG1 HG11HG12 HG13CG2 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 HH11 HH12NH2 HH21HH22C O N H CA HA CB HB CG1 HG11HG12HG13CG2 HG21HG22HG23 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 CD HD2 HD3 CG HG2 HG3 CB HB2 HB3 CA HA C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD HD2 HD3 NE HE CZ NH1 HH11HH12NH2 HH21HH22 C O N H CA HA CB HB CG2 HG21HG22HG23CG1 HG12HG13CD1 HD11HD12HD13C 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 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 H CA HA CB HB2 HB3 CG HG2 HG3 CD HD2 HD3 CE HE2 HE3 NZ HZ1 HZ2 HZ3 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 HD11HD12HD13C O N H CA HA CB HB CG1 HG11HG12HG13CG2 HG21HG22HG23C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD HD2 HD3 CE HE2 HE3 NZ HZ1 HZ2 HZ3 C 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 NE2 HE21HE22C O N H CA HA CB HB CG2 HG21HG22HG23OG1 HG1 C O N H CA HA CB HB2 HB3 OG HG C 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 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 H CA HA CB HB CG2 HG21HG22 HG23CG1 HG12HG13CD1 HD11HD12HD13C 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 CG2 HG21HG22HG23CG1 HG12HG13CD1 HD11HD12HD13C 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 NE HE CZ NH1 HH11HH12NH2 HH21HH22C 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 OE1 NE2 HE21HE22C O N H CA HA CB HB CG2 HG21HG22HG23CG1 HG12HG13CD1 HD11HD12HD13C 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 NE2 HE21HE22C 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 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 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 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 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 HB CG2 HG21HG22HG23OG1 HG1 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 HG2 HG3 CD HD2 HD3 NE HE CZ NH1 HH11HH12NH2 HH21HH22C O N H CA HA2 HA3 C O N H CA HA CB HB2 HB3 CG HG CD1 HD11HD12HD13CD2 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 HD2 HD3 NE HE CZ NH1 HH11HH12NH2 HH21HH22C 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 NE HE CZ NH1 HH11HH12NH2 HH21HH22C 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 CG1 HG11HG12HG13CG2 HG21HG22HG23C 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 HG2 HG3 CD OE1 NE2 HE21HE22C O N H CA HA CB HB CG1 HG11HG12HG13CG2 HG21HG22HG23C 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 CG1 HG11HG12HG13CG2 HG21HG22 HG23C O N H CA HA2 HA3 C O N H CA HA CB HB2 HB3 CG OD1 ND2 HD21HD22C 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 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 HB CG2 HG21HG22HG23OG1 HG1 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 CG OD1 ND2 HD21HD22C 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 HB CG1 HG11HG12HG13CG2 HG21HG22HG23C 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 HD21HD22C 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 HB2 HB3 CG OD1 ND2 HD21HD22C 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 HG2 HG3 CD OE1 OE2 C O N H CA HA CB HB CG2 HG21HG22HG23CG1 HG12HG13CD1 HD11HD12HD13C O N H CA HA CB HB2 HB3 CG HG CD1 HD11HD12HD13CD2 HD21 HD22HD23C O N H CA HA2 HA3 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 CE HE2 HE3 NZ HZ1 HZ2 HZ3 C O OXT %FLAG CHARGE %FORMAT(5E16.8) 7.82647785E+00 -1.13397373E+01 1.01680434E+00 1.23729417E+00 1.23729417E+00 1.94067495E+00 2.13929802E+00 -6.46527204E+00 3.48045930E-01 3.65539338E+00 8.96537160E-01 2.50374402E+00 2.98845720E+00 -1.04031111E+01 3.17796912E+00 8.69203710E+00 -1.01990213E+01 -8.72301501E+00 6.23931552E+00 1.39528151E+01 -1.76246086E+01 7.95221172E+00 7.95221172E+00 -1.15219603E+01 2.22676506E+00 3.68454906E+00 1.12067145E+00 1.22089410E+00 1.77120756E+00 -1.11866700E+01 7.62785478E+00 -9.55941858E+00 2.12508463E+01 -1.41405048E+01 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3 4 3 16 3 16 16 16 3 16 16 3 16 16 16 8 10 7 11 3 4 3 16 16 8 10 7 11 11 8 10 7 3 4 4 3 16 16 3 16 16 3 4 8 10 7 11 3 4 3 16 3 16 16 16 3 16 16 3 16 16 16 8 10 7 11 3 4 3 4 4 2 1 8 10 7 11 3 4 3 16 16 3 16 16 3 4 4 7 11 8 7 11 11 7 11 11 8 10 7 11 3 4 3 16 16 3 16 3 16 16 16 3 16 16 16 8 10 7 11 3 4 3 16 16 16 8 10 7 11 3 4 3 16 16 3 16 16 8 10 7 11 11 8 10 7 11 3 4 3 16 3 16 16 16 3 16 16 3 16 16 16 8 10 7 11 3 4 3 16 16 3 16 16 8 10 7 11 11 8 10 7 11 3 4 3 16 16 3 16 16 8 10 7 11 11 8 10 7 11 3 4 3 16 16 16 8 10 7 11 3 4 3 16 16 3 16 16 3 16 16 3 15 15 7 11 11 11 8 10 7 11 3 4 3 16 16 3 16 16 3 16 16 3 15 15 7 11 11 11 8 10 7 11 3 4 3 16 16 3 16 16 8 10 10 8 10 7 11 3 4 3 16 16 3 16 16 3 16 16 3 15 15 7 11 11 11 8 10 7 11 3 4 3 16 16 3 16 16 8 10 10 8 10 7 3 4 4 3 16 16 3 16 16 3 4 8 10 7 11 3 4 3 16 16 3 16 16 8 10 10 8 10 7 11 3 4 3 16 16 8 8 14 8 14 8 2 1 8 14 8 14 8 10 7 11 3 4 3 4 3 16 16 16 2 1 8 10 7 11 3 4 3 16 16 3 16 3 16 16 16 3 16 16 16 8 10 7 11 3 4 3 16 16 3 16 3 16 16 16 3 16 16 16 8 10 7 11 3 4 3 4 3 16 16 16 2 1 8 10 7 11 3 4 3 16 16 3 16 16 8 10 10 8 10 7 11 3 4 3 16 16 3 16 16 3 4 4 7 11 8 7 11 11 7 11 11 8 10 7 11 3 4 4 8 10 7 11 3 4 3 16 16 3 16 3 16 16 16 3 16 16 16 8 10 7 3 4 4 3 16 16 3 16 16 3 4 8 10 7 11 3 4 3 16 16 3 16 16 3 4 4 7 11 8 7 11 11 7 11 11 8 10 7 11 3 4 3 16 16 3 16 16 3 4 4 7 11 8 7 11 11 7 11 11 8 10 7 11 3 4 3 16 16 3 16 16 3 4 4 7 11 8 7 11 11 7 11 11 8 10 7 11 3 4 3 16 16 3 16 16 8 10 10 8 10 7 11 3 4 3 16 16 8 8 14 8 14 8 14 8 14 8 14 8 10 7 11 3 4 3 16 3 16 16 16 3 16 16 16 8 10 7 11 3 4 3 16 16 3 4 4 17 3 4 4 4 8 10 7 11 3 4 3 16 16 3 16 16 8 10 7 11 11 8 10 7 11 3 4 3 16 3 16 16 16 3 16 16 16 8 10 7 11 3 4 3 16 16 3 16 16 3 16 16 3 15 15 7 11 11 11 8 10 7 11 3 4 3 16 3 16 16 16 3 16 16 16 8 10 7 11 3 4 4 8 10 7 11 3 4 3 16 16 8 10 7 11 11 8 10 7 11 3 4 3 16 16 8 7 8 9 7 11 8 13 8 10 7 11 3 4 3 4 3 16 16 16 2 1 8 10 7 11 3 4 3 16 16 16 8 10 7 11 3 4 3 16 16 3 16 16 8 10 10 8 10 7 11 3 4 4 8 10 7 11 3 4 3 4 3 16 16 16 2 1 8 10 7 11 3 4 4 8 10 7 11 3 4 3 4 3 16 16 16 2 1 8 10 7 11 3 4 3 16 16 8 10 7 11 11 8 10 7 11 3 4 3 16 16 3 16 16 3 16 16 3 15 15 7 11 11 11 8 10 7 11 3 4 3 16 16 3 16 16 3 16 16 3 15 15 7 11 11 11 8 10 7 11 3 4 3 16 3 16 16 16 3 16 16 16 8 10 7 11 3 4 3 16 16 16 8 10 7 11 3 4 3 16 16 3 16 16 3 16 16 3 15 15 7 11 11 11 8 10 7 11 3 4 3 16 16 3 16 16 3 4 4 7 11 8 7 11 11 7 11 11 8 10 7 11 3 4 3 16 16 8 10 7 11 11 8 10 7 11 3 4 3 16 16 16 8 10 7 11 3 4 3 16 16 16 8 10 7 11 3 4 3 16 16 3 16 16 8 10 10 8 10 7 11 3 4 3 16 16 8 10 7 11 11 8 10 7 11 3 4 3 16 16 3 4 4 17 3 4 4 4 8 10 7 11 3 4 3 16 16 3 16 3 16 16 16 3 16 16 16 8 10 7 11 3 4 3 16 16 3 16 16 8 10 10 8 10 7 11 3 4 3 16 3 16 16 16 3 16 16 3 16 16 16 8 10 7 11 3 4 3 16 16 3 16 3 16 16 16 3 16 16 16 8 10 7 11 3 4 4 8 10 7 11 3 4 3 16 16 8 8 14 8 14 8 14 8 14 8 14 8 10 7 11 3 4 3 16 16 3 16 16 3 16 16 3 15 15 7 11 11 11 8 10 10 %FLAG NUMBER_EXCLUDED_ATOMS %FORMAT(10I8) 5 7 10 5 4 12 6 11 15 7 12 7 3 6 7 7 4 7 3 5 4 2 1 1 1 10 5 5 3 2 1 5 7 3 2 7 10 5 4 12 6 11 15 7 12 7 3 6 7 7 4 7 3 5 4 2 1 1 1 10 5 5 3 2 1 5 7 3 2 7 10 5 4 12 6 11 15 7 12 9 4 7 3 6 4 2 1 2 2 1 10 5 5 3 2 1 5 7 3 2 7 10 5 4 12 6 11 15 7 12 7 3 6 8 8 5 2 1 4 3 2 1 1 10 5 5 3 2 1 5 7 3 2 7 10 5 4 12 6 11 15 7 12 7 3 6 7 7 4 7 3 5 4 2 1 1 1 10 5 5 3 2 1 5 7 3 2 7 10 5 4 12 6 11 15 7 12 7 3 6 8 8 5 2 1 4 3 2 1 1 10 5 5 3 2 1 5 7 3 2 7 10 5 4 12 6 11 15 7 12 7 3 6 8 8 5 2 1 4 3 2 1 1 10 5 5 3 2 1 5 7 3 2 7 10 5 4 12 6 11 15 7 12 7 3 6 7 7 4 7 3 5 4 2 1 1 1 10 5 5 3 2 1 5 7 3 2 7 10 5 4 12 6 11 15 7 12 9 4 7 3 6 4 2 1 2 2 1 10 5 5 3 2 1 5 7 3 2 7 10 5 4 12 6 11 15 7 13 9 4 6 3 5 3 3 2 2 1 10 5 5 3 2 1 5 7 3 2 7 10 5 4 12 6 11 15 7 12 7 3 6 7 7 4 7 3 5 4 2 1 1 1 10 5 5 3 2 1 5 7 3 2 7 10 5 4 12 6 11 15 7 12 9 4 7 3 6 4 2 1 2 2 1 10 5 5 3 2 1 5 7 3 2 7 10 5 4 12 6 11 15 7 12 9 4 7 3 6 4 2 1 2 2 1 10 5 5 3 2 1 5 7 3 2 7 10 5 4 12 6 11 15 7 13 9 4 6 3 5 3 3 2 2 1 10 5 5 3 2 1 5 7 3 2 7 10 5 4 12 6 11 15 7 12 9 4 7 3 6 4 2 1 2 2 1 10 5 5 3 2 1 5 7 3 2 7 10 5 4 12 6 11 15 7 13 9 4 6 3 5 3 3 2 2 1 10 5 5 3 2 1 5 7 3 2 7 10 5 4 12 6 11 15 7 13 9 4 6 3 5 3 3 2 2 1 10 5 5 3 2 1 5 7 3 2 7 10 5 4 12 6 11 15 7 12 9 4 7 3 6 4 2 1 2 2 1 10 5 5 3 2 1 5 7 3 2 7 10 5 4 12 6 11 15 7 12 7 3 6 7 7 4 7 3 5 4 2 1 1 1 10 5 5 3 2 1 5 7 3 2 7 10 5 4 12 6 11 15 7 12 7 3 6 7 7 4 7 3 5 4 2 1 1 1 10 5 5 3 2 1 5 7 3 2 7 10 5 4 12 6 11 15 7 12 7 3 6 8 8 5 2 1 4 3 2 1 1 10 5 5 3 2 1 5 7 3 2 7 10 5 4 12 6 11 15 7 12 7 3 6 7 7 4 7 3 5 4 2 1 1 1 10 5 5 3 2 1 5 7 3 2 7 10 5 4 12 6 11 15 7 12 7 3 6 7 7 4 7 3 5 4 2 1 1 1 10 5 5 3 2 1 5 7 3 2 7 10 5 4 12 6 11 15 7 12 9 4 7 3 6 4 2 1 2 2 1 10 5 5 3 2 1 5 7 3 2 7 10 5 4 12 6 11 15 7 12 7 3 6 8 8 5 2 1 4 3 2 1 1 10 5 5 3 2 1 5 7 3 2 7 10 5 4 12 6 11 15 7 12 7 3 6 7 7 4 7 3 5 4 2 1 1 1 10 5 5 3 2 1 5 7 3 2 7 10 5 4 12 6 11 15 7 13 9 4 6 3 5 3 3 2 2 1 10 5 5 3 2 1 5 7 3 2 7 10 5 4 12 6 11 15 7 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 9 4 7 3 6 4 2 1 2 2 1 10 5 5 3 2 1 5 7 3 2 7 10 5 4 12 6 11 15 7 13 9 4 6 3 5 3 3 2 2 1 10 5 5 3 2 1 5 7 3 2 7 10 5 4 12 6 11 15 7 12 7 3 6 7 7 4 7 3 5 4 2 1 1 1 10 5 5 3 2 1 5 7 3 2 7 10 5 4 12 6 11 15 7 12 9 4 7 3 6 4 2 1 2 2 1 10 5 5 3 2 1 5 7 3 2 7 10 5 4 12 6 11 15 7 12 9 4 7 3 6 4 2 1 2 2 1 7 5 5 3 2 1 1 1 9 6 5 4 7 4 3 7 3 10 4 11 7 7 4 3 2 1 7 3 10 4 12 7 11 5 4 8 6 5 3 3 2 1 1 7 3 10 4 13 7 10 6 5 8 3 2 4 3 2 1 1 7 3 10 4 13 7 12 6 5 10 5 4 9 5 4 6 5 4 3 2 1 1 7 3 10 4 11 7 7 4 3 2 1 7 3 10 4 13 7 11 6 5 6 4 3 2 1 1 7 3 10 4 16 7 15 9 8 3 2 1 7 5 4 3 2 1 1 7 3 10 4 11 7 7 4 3 2 1 7 3 10 4 13 7 11 6 5 8 4 3 4 3 2 1 1 7 3 10 4 16 7 12 9 8 3 2 1 4 2 1 1 7 3 10 4 12 7 12 5 4 10 8 4 6 3 5 3 3 2 1 1 7 3 10 4 13 7 11 6 5 6 4 3 2 1 1 7 3 10 4 16 7 15 9 8 3 2 1 7 5 4 3 2 1 1 7 3 10 4 10 7 6 3 2 1 7 3 10 4 13 7 15 6 5 10 8 7 3 2 1 3 2 1 1 7 3 10 4 13 7 12 6 5 10 5 4 9 5 4 6 5 4 3 2 1 1 7 3 10 4 13 7 12 6 5 9 5 4 7 4 3 8 3 6 5 2 1 2 1 1 7 3 10 4 12 7 10 5 4 5 3 2 1 1 7 3 10 4 13 7 15 6 5 10 8 7 3 2 1 3 2 1 1 10 3 14 11 6 5 8 5 4 7 4 3 6 3 7 3 10 4 16 7 12 9 8 3 2 1 4 2 1 1 7 3 10 4 12 7 10 5 4 5 3 2 1 1 7 3 10 4 12 7 12 5 4 10 8 4 6 3 5 3 3 2 1 1 7 3 10 4 13 7 11 6 5 6 4 3 2 1 1 7 3 10 4 16 7 12 9 8 3 2 1 4 2 1 1 7 3 10 4 10 7 6 3 2 1 7 3 10 4 13 7 12 6 5 9 5 4 7 4 3 8 3 6 5 2 1 2 1 1 7 3 10 4 13 7 11 6 5 6 4 3 2 1 1 7 3 10 4 11 7 7 4 3 2 1 7 3 7 4 7 4 3 10 3 14 11 6 5 8 5 4 7 4 3 6 3 10 3 14 11 6 5 8 5 4 7 4 3 6 3 7 3 10 4 12 7 11 5 4 8 6 5 3 3 2 1 1 7 3 10 4 13 7 10 6 5 8 3 2 4 3 2 1 1 7 3 10 4 13 7 12 6 5 10 5 4 9 5 4 6 5 4 3 2 1 1 7 3 10 4 12 7 10 5 4 5 3 2 1 1 7 3 10 4 12 7 12 5 4 10 8 4 6 3 5 3 3 2 1 1 7 3 10 4 16 7 12 9 8 3 2 1 4 2 1 1 7 3 10 4 14 7 10 7 6 3 2 1 2 1 7 3 10 4 13 7 12 6 5 10 5 4 9 5 4 6 5 4 3 2 1 1 7 3 10 4 16 7 12 9 8 3 2 1 4 2 1 1 7 3 10 4 11 7 7 4 3 2 1 7 3 10 4 16 7 12 9 8 3 2 1 4 2 1 1 7 3 7 4 7 4 3 7 3 10 4 13 7 11 6 5 6 4 3 2 1 1 7 3 10 4 12 7 12 5 4 10 8 4 6 3 5 3 3 2 1 1 7 3 10 4 16 7 12 9 8 3 2 1 4 2 1 1 7 3 7 4 7 4 3 7 3 10 4 13 7 11 6 5 6 4 3 2 1 1 7 3 7 4 7 4 3 7 3 10 4 13 7 11 6 5 6 4 3 2 1 1 7 3 7 4 7 4 3 7 3 10 4 13 7 12 6 5 10 5 4 9 5 4 6 5 4 3 2 1 1 7 3 10 4 11 7 7 4 3 2 1 7 3 10 4 13 7 12 6 5 10 5 4 9 5 4 6 5 4 3 2 1 1 7 3 10 4 13 7 12 6 5 10 5 4 9 5 4 6 5 4 3 2 1 1 7 3 10 4 16 7 15 9 8 3 2 1 7 5 4 3 2 1 1 7 3 10 4 11 7 7 4 3 2 1 7 3 10 4 13 7 12 6 5 10 5 4 9 5 4 6 5 4 3 2 1 1 7 3 10 4 13 7 12 6 5 10 5 4 9 5 4 6 5 4 3 2 1 1 7 3 10 4 12 7 10 5 4 5 3 2 1 1 7 3 10 4 10 7 6 3 2 1 7 3 10 4 10 7 6 3 2 1 7 3 10 4 16 7 15 9 8 3 2 1 7 5 4 3 2 1 1 7 3 10 4 10 7 6 3 2 1 7 3 10 4 16 7 12 9 8 3 2 1 4 2 1 1 7 3 10 4 13 7 15 6 5 10 8 7 3 2 1 3 2 1 1 7 3 10 4 13 7 11 6 5 6 4 3 2 1 1 7 3 10 4 13 7 11 6 5 6 4 3 2 1 1 7 3 10 4 13 7 15 6 5 10 8 7 3 2 1 3 2 1 1 7 3 10 4 13 7 12 6 5 10 5 4 9 5 4 6 5 4 3 2 1 1 7 3 10 4 13 7 12 6 5 10 5 4 9 5 4 6 5 4 3 2 1 1 7 3 10 4 13 7 15 6 5 10 8 7 3 2 1 3 2 1 1 10 3 14 11 6 5 8 5 4 7 4 3 6 3 10 3 14 11 6 5 8 5 4 7 4 3 6 3 7 3 10 4 13 7 15 6 5 10 8 7 3 2 1 3 2 1 1 10 3 14 11 6 5 8 5 4 7 4 3 6 3 7 3 10 4 10 7 6 3 2 1 7 3 10 4 16 7 12 9 8 3 2 1 4 2 1 1 7 3 10 4 13 7 11 6 5 6 4 3 2 1 1 7 3 10 4 13 7 12 6 5 9 5 4 7 4 3 8 3 6 5 2 1 2 1 1 7 3 10 4 16 7 12 9 8 3 2 1 4 2 1 1 7 3 10 4 13 7 12 6 5 10 5 4 9 5 4 6 5 4 3 2 1 1 10 3 14 11 6 5 8 5 4 7 4 3 6 3 7 3 10 4 13 7 12 6 5 9 5 4 7 4 3 8 3 6 5 2 1 2 1 1 7 3 10 4 16 7 15 9 8 3 2 1 7 5 4 3 2 1 1 7 3 10 4 13 7 12 6 5 10 5 4 9 5 4 6 5 4 3 2 1 1 7 3 10 4 13 7 12 6 5 10 5 4 9 5 4 6 5 4 3 2 1 1 7 3 10 4 13 7 12 6 5 10 5 4 9 5 4 6 5 4 3 2 1 1 7 3 10 4 14 7 10 7 6 3 2 1 2 1 7 3 10 4 13 7 12 6 5 10 5 4 9 5 4 6 5 4 3 2 1 1 10 3 14 11 6 5 8 5 4 7 4 3 6 3 7 3 10 4 16 7 15 9 8 3 2 1 7 5 4 3 2 1 1 7 3 10 4 16 7 12 9 8 3 2 1 4 2 1 1 7 3 10 4 13 7 12 6 5 10 5 4 9 5 4 6 5 4 3 2 1 1 10 3 14 11 6 5 8 5 4 7 4 3 6 3 7 3 10 4 13 7 11 6 5 8 4 3 4 3 2 1 1 7 3 10 4 14 7 10 7 6 3 2 1 2 1 7 3 10 4 11 7 7 4 3 2 1 10 3 14 11 6 5 8 5 4 7 4 3 6 3 7 3 10 4 13 7 11 6 5 6 4 3 2 1 1 7 3 10 4 12 7 12 5 4 10 8 4 7 3 6 4 1 3 2 1 1 7 3 7 4 7 4 3 7 3 10 4 13 7 11 6 5 8 4 3 4 3 2 1 1 7 3 7 4 7 4 3 7 3 10 4 16 7 15 9 8 3 2 1 7 5 4 3 2 1 1 7 3 10 4 12 7 10 5 4 5 3 2 1 1 10 3 14 11 6 5 8 5 4 7 4 3 6 3 7 3 10 4 16 7 15 9 8 3 2 1 7 5 4 3 2 1 1 7 3 10 4 11 7 7 4 3 2 1 7 3 10 4 13 7 12 6 5 9 5 4 7 4 3 8 3 6 5 2 1 2 1 1 7 3 10 4 13 7 15 6 5 10 8 7 3 2 1 3 2 1 1 7 3 10 4 10 7 6 3 2 1 7 3 10 4 13 7 11 6 5 8 4 3 4 3 2 1 1 7 3 10 4 16 7 15 9 8 3 2 1 7 5 4 3 2 1 1 7 3 10 4 13 7 11 6 5 8 4 3 4 3 2 1 1 7 3 10 4 13 7 11 6 5 8 4 3 4 3 2 1 1 7 3 10 4 10 7 6 3 2 1 7 3 10 4 13 7 12 6 5 10 5 4 9 5 4 6 5 4 3 2 1 1 7 3 10 4 13 7 12 6 5 10 5 4 9 5 4 6 5 4 3 2 1 1 7 3 10 4 13 7 11 6 5 6 4 3 2 1 1 7 3 10 4 13 7 12 6 5 10 5 4 9 5 4 6 5 4 3 2 1 1 7 3 10 4 13 7 11 6 5 6 4 3 2 1 1 10 3 14 11 6 5 8 5 4 7 4 3 6 3 7 3 10 4 13 7 11 6 5 6 4 3 2 1 1 7 3 10 4 12 7 12 5 4 10 8 4 7 3 6 4 1 3 2 1 1 7 3 10 4 14 7 10 7 6 3 2 1 2 1 7 3 10 4 13 7 15 6 5 10 8 7 3 2 1 3 2 1 1 7 3 10 4 13 7 15 6 5 10 8 7 3 2 1 3 2 1 1 7 3 10 4 14 7 10 7 6 3 2 1 2 1 7 3 10 4 13 7 11 6 5 6 4 3 2 1 1 7 3 10 4 13 7 12 6 5 9 5 4 7 4 3 8 3 6 5 2 1 2 1 1 7 3 7 4 7 4 3 7 3 10 4 13 7 15 6 5 10 8 7 3 2 1 3 2 1 1 10 3 14 11 6 5 8 5 4 7 4 3 6 3 7 3 10 4 13 7 12 6 5 9 5 4 7 4 3 8 3 6 5 2 1 2 1 1 7 3 10 4 13 7 12 6 5 9 5 4 7 4 3 8 3 6 5 2 1 2 1 1 7 3 10 4 13 7 12 6 5 9 5 4 7 4 3 8 3 6 5 2 1 2 1 1 7 3 10 4 13 7 11 6 5 6 4 3 2 1 1 7 3 10 4 12 7 12 5 4 10 8 4 6 3 5 3 3 2 1 1 7 3 10 4 16 7 12 9 8 3 2 1 4 2 1 1 7 3 10 4 13 7 10 6 5 8 3 2 4 3 2 1 1 7 3 10 4 13 7 11 6 5 8 4 3 4 3 2 1 1 7 3 10 4 16 7 12 9 8 3 2 1 4 2 1 1 7 3 10 4 13 7 12 6 5 10 5 4 9 5 4 6 5 4 3 2 1 1 7 3 10 4 16 7 12 9 8 3 2 1 4 2 1 1 7 3 7 4 7 4 3 7 3 10 4 12 7 10 5 4 5 3 2 1 1 7 3 10 4 12 7 11 5 4 8 6 5 3 3 2 1 1 7 3 10 4 14 7 10 7 6 3 2 1 2 1 7 3 10 4 10 7 6 3 2 1 7 3 10 4 13 7 11 6 5 6 4 3 2 1 1 7 3 7 4 7 4 3 7 3 10 4 14 7 10 7 6 3 2 1 2 1 7 3 7 4 7 4 3 7 3 10 4 14 7 10 7 6 3 2 1 2 1 7 3 10 4 12 7 10 5 4 5 3 2 1 1 7 3 10 4 13 7 12 6 5 10 5 4 9 5 4 6 5 4 3 2 1 1 7 3 10 4 13 7 12 6 5 10 5 4 9 5 4 6 5 4 3 2 1 1 7 3 10 4 16 7 12 9 8 3 2 1 4 2 1 1 7 3 10 4 10 7 6 3 2 1 7 3 10 4 13 7 12 6 5 10 5 4 9 5 4 6 5 4 3 2 1 1 7 3 10 4 13 7 12 6 5 9 5 4 7 4 3 8 3 6 5 2 1 2 1 1 7 3 10 4 12 7 10 5 4 5 3 2 1 1 7 3 10 4 10 7 6 3 2 1 7 3 10 4 10 7 6 3 2 1 7 3 10 4 13 7 11 6 5 6 4 3 2 1 1 7 3 10 4 12 7 10 5 4 5 3 2 1 1 7 3 10 4 13 7 10 6 5 8 3 2 4 3 2 1 1 7 3 10 4 13 7 15 6 5 10 8 7 3 2 1 3 2 1 1 7 3 10 4 13 7 11 6 5 6 4 3 2 1 1 7 3 10 4 16 7 15 9 8 3 2 1 7 5 4 3 2 1 1 7 3 10 4 13 7 15 6 5 10 8 7 3 2 1 3 2 1 1 7 3 7 4 7 4 3 7 3 10 4 12 7 12 5 4 10 8 4 6 3 5 3 3 2 1 1 7 3 10 4 11 7 12 6 5 10 5 4 9 5 4 6 5 4 3 2 1 1 2 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) RG5 RG RC RA RG RA RA RG RC RU RG RC RC RU RC RU RU RC RG RG RA RG RG RC RA RG RU RU RU RC RU RG RC RC3 GLY SER HIE MET LYS SER GLU ILE SER GLN VAL PHE GLU ILE ALA LEU LYS ARG ASN LEU PRO VAL ASN PHE GLU VAL ALA ARG GLU SER GLY PRO PRO HIE MET LYS ASN PHE VAL THR LYS VAL SER VAL GLY GLU PHE VAL GLY GLU GLY GLU GLY LYS SER LYS LYS ILE SER LYS LYS ASN ALA ALA ILE ALA VAL LEU GLU GLU LEU LYS LYS LEU PRO PRO LEU PRO ALA VAL GLU ARG VAL LYS PRO ARG ILE LYS LYS LYS THR LYS PRO ILE VAL LYS PRO GLN THR SER PRO GLU TYR GLY GLN GLY ILE ASN PRO ILE SER ARG LEU ALA GLN ILE GLN GLN ALA LYS LYS GLU LYS GLU PRO GLU TYR THR LEU LEU THR GLU ARG GLY LEU PRO ARG ARG ARG GLU PHE VAL MET GLN VAL LYS VAL GLY ASN HIE THR ALA GLU GLY THR GLY THR ASN LYS LYS VAL ALA LYS ARG ASN ALA ALA GLU ASN MET LEU GLU ILE LEU GLY PHE LYS %FLAG RESIDUE_POINTER %FORMAT(10I8) 1 33 67 98 131 165 198 231 265 296 326 360 391 422 452 483 513 543 574 608 642 675 709 743 774 807 841 871 901 931 962 992 1026 1057 1089 1098 1109 1126 1143 1165 1176 1191 1210 1221 1238 1254 1274 1289 1308 1318 1337 1359 1383 1397 1416 1430 1446 1460 1480 1495 1511 1521 1545 1560 1571 1578 1592 1606 1623 1640 1662 1676 1696 1712 1726 1748 1764 1775 1791 1798 1813 1833 1849 1856 1871 1878 1893 1900 1922 1933 1955 1977 1996 2007 2029 2051 2065 2075 2085 2104 2114 2130 2149 2164 2179 2198 2220 2242 2261 2275 2289 2308 2322 2332 2348 2363 2387 2403 2425 2439 2463 2482 2504 2526 2548 2562 2584 2598 2617 2633 2655 2669 2686 2700 2711 2725 2740 2761 2768 2785 2792 2811 2825 2839 2858 2869 2893 2912 2922 2939 2958 2975 2992 3002 3024 3046 3061 3083 3098 3112 3127 3148 3162 3181 3200 3214 3229 3253 3260 3279 3293 3317 3341 3365 3380 3400 3416 3433 3450 3466 3488 3504 3511 3525 3542 3556 3566 3581 3588 3602 3609 3623 3637 3659 3681 3697 3707 3729 3753 3767 3777 3787 3802 3816 3833 3852 3867 3886 3905 3912 3932 %FLAG BOND_FORCE_CONSTANT %FORMAT(5E16.8) 2.30000000E+02 5.53000000E+02 3.40000000E+02 3.20000000E+02 3.10000000E+02 3.20000000E+02 4.61000000E+02 4.34000000E+02 4.81000000E+02 4.83000000E+02 4.34000000E+02 4.27000000E+02 5.70000000E+02 4.18000000E+02 4.47000000E+02 5.20000000E+02 4.14000000E+02 3.67000000E+02 5.29000000E+02 4.40000000E+02 4.36000000E+02 3.40000000E+02 3.37000000E+02 5.25000000E+02 4.57000000E+02 3.67000000E+02 4.27000000E+02 3.67000000E+02 5.49000000E+02 4.48000000E+02 4.24000000E+02 3.67000000E+02 5.02000000E+02 4.69000000E+02 4.10000000E+02 4.90000000E+02 3.40000000E+02 3.17000000E+02 4.34000000E+02 3.67000000E+02 4.34000000E+02 3.37000000E+02 3.67000000E+02 4.27000000E+02 3.67000000E+02 4.77000000E+02 4.88000000E+02 4.10000000E+02 5.18000000E+02 3.40000000E+02 3.17000000E+02 2.27000000E+02 6.56000000E+02 3.67000000E+02 4.69000000E+02 3.17000000E+02 3.37000000E+02 4.50000000E+02 4.69000000E+02 %FLAG BOND_EQUIL_VALUE %FORMAT(5E16.8) 1.61000000E+00 9.60000000E-01 1.09000000E+00 1.41000000E+00 1.52600000E+00 1.41000000E+00 1.35400000E+00 1.01000000E+00 1.34000000E+00 1.33900000E+00 1.01000000E+00 1.38100000E+00 1.22900000E+00 1.38800000E+00 1.41900000E+00 1.37000000E+00 1.39100000E+00 1.08000000E+00 1.30400000E+00 1.37100000E+00 1.37400000E+00 1.09000000E+00 1.47500000E+00 1.48000000E+00 1.35800000E+00 1.08000000E+00 1.43300000E+00 1.08000000E+00 1.35000000E+00 1.36500000E+00 1.38300000E+00 1.08000000E+00 1.32400000E+00 1.40400000E+00 1.44400000E+00 1.33500000E+00 1.09000000E+00 1.52200000E+00 1.01000000E+00 1.47100000E+00 1.01000000E+00 1.44900000E+00 1.08000000E+00 1.38100000E+00 1.08000000E+00 1.34300000E+00 1.33500000E+00 1.39400000E+00 1.37100000E+00 1.09000000E+00 1.50400000E+00 1.81000000E+00 1.25000000E+00 1.08000000E+00 1.40000000E+00 1.51000000E+00 1.46300000E+00 1.36400000E+00 1.40900000E+00 %FLAG ANGLE_FORCE_CONSTANT %FORMAT(5E16.8) 1.00000000E+02 4.50000000E+01 5.00000000E+01 5.00000000E+01 5.50000000E+01 5.00000000E+01 5.00000000E+01 5.00000000E+01 1.00000000E+02 3.50000000E+01 7.00000000E+01 5.00000000E+01 7.00000000E+01 5.00000000E+01 7.00000000E+01 7.00000000E+01 8.00000000E+01 6.30000000E+01 5.00000000E+01 7.00000000E+01 8.00000000E+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 5.00000000E+01 7.00000000E+01 7.00000000E+01 7.00000000E+01 5.00000000E+01 5.00000000E+01 7.00000000E+01 7.00000000E+01 4.00000000E+01 5.00000000E+01 5.00000000E+01 6.00000000E+01 3.50000000E+01 1.40000000E+02 8.00000000E+01 7.00000000E+01 5.00000000E+01 7.00000000E+01 7.00000000E+01 5.00000000E+01 7.00000000E+01 5.00000000E+01 6.30000000E+01 5.00000000E+01 7.00000000E+01 7.00000000E+01 8.00000000E+01 7.00000000E+01 7.00000000E+01 5.00000000E+01 7.00000000E+01 7.00000000E+01 6.30000000E+01 7.00000000E+01 7.00000000E+01 7.00000000E+01 7.00000000E+01 7.00000000E+01 5.00000000E+01 8.00000000E+01 7.00000000E+01 6.30000000E+01 7.00000000E+01 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 6.30000000E+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 3.50000000E+01 7.00000000E+01 7.00000000E+01 5.00000000E+01 6.30000000E+01 5.00000000E+01 6.20000000E+01 5.00000000E+01 5.00000000E+01 8.00000000E+01 8.00000000E+01 5.00000000E+01 7.00000000E+01 3.50000000E+01 5.00000000E+01 6.30000000E+01 5.00000000E+01 7.00000000E+01 6.30000000E+01 7.00000000E+01 5.00000000E+01 5.00000000E+01 5.00000000E+01 8.00000000E+01 5.00000000E+01 7.00000000E+01 5.00000000E+01 5.00000000E+01 6.30000000E+01 6.30000000E+01 %FLAG ANGLE_EQUIL_VALUE %FORMAT(5E16.8) 1.88897066E+00 1.79070858E+00 1.91113635E+00 1.91113635E+00 1.89368305E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 2.10312265E+00 2.09439600E+00 2.08217869E+00 2.09439600E+00 1.95826026E+00 2.05948940E+00 2.02458280E+00 2.15199189E+00 2.10486798E+00 2.08043336E+00 2.03854544E+00 2.18515316E+00 2.24798504E+00 1.94255229E+00 2.22878641E+00 2.26892900E+00 1.92684432E+00 2.14762857E+00 1.83957782E+00 1.81165254E+00 1.91113635E+00 2.14762857E+00 1.98793087E+00 1.85354046E+00 2.20260646E+00 1.91113635E+00 1.91113635E+00 2.24798504E+00 2.19562514E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 2.09265067E+00 2.13802925E+00 2.10312265E+00 2.15199189E+00 2.09614133E+00 2.12057595E+00 2.08916001E+00 2.12232128E+00 2.08916001E+00 2.04203610E+00 2.07868803E+00 2.11533996E+00 2.06996138E+00 2.11010397E+00 2.11533996E+00 2.05250808E+00 2.01498349E+00 1.93731630E+00 2.25322103E+00 2.04727209E+00 2.06996138E+00 2.15548255E+00 2.04727209E+00 2.31081692E+00 2.20609712E+00 2.08916001E+00 2.18689849E+00 1.99142153E+00 2.10661331E+00 2.01411082E+00 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 1.93906163E+00 1.91113635E+00 2.06018753E+00 1.91113635E+00 1.91462701E+00 1.92160833E+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 1.91113635E+00 2.09439600E+00 2.09439600E+00 1.91113635E+00 1.97396823E+00 1.91113635E+00 1.72613137E+00 2.00189351E+00 1.91113635E+00 1.94080696E+00 2.19911580E+00 1.91113635E+00 2.04203610E+00 2.09439600E+00 2.09439600E+00 2.09439600E+00 1.91113635E+00 2.09439600E+00 1.98967620E+00 2.09439600E+00 1.91113635E+00 2.06647072E+00 2.15024656E+00 1.94080696E+00 2.05948940E+00 2.09439600E+00 1.97222290E+00 2.09439600E+00 2.09439600E+00 2.09439600E+00 %FLAG DIHEDRAL_FORCE_CONSTANT %FORMAT(5E16.8) 1.20000000E+00 2.50000000E-01 1.17500000E+00 1.44000000E-01 2.50000000E-01 0.00000000E+00 1.66666667E-01 3.83333333E-01 1.55555556E-01 1.60000000E-01 0.00000000E+00 2.40000000E+00 4.80000000E+00 1.50000000E+00 3.00000000E+00 1.35000000E+00 5.45000000E+00 4.15000000E+00 1.70000000E+00 1.00000000E+01 1.65000000E+00 2.55000000E+00 1.00000000E-01 3.83000000E-01 2.50000000E+00 6.50000000E-01 2.00000000E-01 2.50000000E-01 1.80000000E-01 4.00000000E+00 1.85000000E+00 6.65000000E+00 1.45000000E+00 6.80000000E+00 3.50000000E+00 2.17500000E+00 3.00000000E-01 2.00000000E+00 2.50000000E+00 5.30000000E-01 1.50000000E-01 5.00000000E-01 8.00000000E-01 8.50000000E-01 7.00000000E-02 1.00000000E-01 8.00000000E-02 1.70000000E+00 2.00000000E+00 2.32500000E+00 5.37500000E+00 5.00000000E+00 3.33333333E-01 1.50000000E-01 3.62500000E+00 2.30000000E+00 1.00000000E+00 1.10000000E+00 1.05000000E+01 %FLAG DIHEDRAL_PERIODICITY %FORMAT(5E16.8) 2.00000000E+00 3.00000000E+00 2.00000000E+00 3.00000000E+00 1.00000000E+00 3.00000000E+00 3.00000000E+00 3.00000000E+00 3.00000000E+00 3.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 3.00000000E+00 1.00000000E+00 2.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 3.00000000E+00 1.00000000E+00 2.00000000E+00 1.00000000E+00 3.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 2.00000000E+00 4.00000000E+00 3.00000000E+00 1.00000000E+00 2.00000000E+00 2.00000000E+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 %FLAG DIHEDRAL_PHASE %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 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 0.00000000E+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 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+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 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 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 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 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 %FLAG LENNARD_JONES_ACOEF %FORMAT(5E16.8) 0.00000000E+00 0.00000000E+00 5.81803229E+05 0.00000000E+00 7.91544157E+05 1.04308023E+06 0.00000000E+00 4.66922514E+04 6.78771368E+04 3.25969625E+03 0.00000000E+00 4.58874091E+05 6.28541240E+05 3.63097246E+04 3.61397723E+05 0.00000000E+00 3.15360051E+04 4.68930885E+04 2.09814978E+03 2.44050579E+04 1.32801250E+03 0.00000000E+00 7.44975864E+05 9.95480466E+05 6.20665997E+04 5.89818288E+05 4.24594555E+04 9.44293233E+05 0.00000000E+00 7.01803794E+05 9.24822270E+05 6.01816484E+04 5.57281136E+05 4.15766412E+04 8.82619071E+05 8.19971662E+05 0.00000000E+00 4.09427581E+04 5.98885646E+04 2.82099197E+03 3.17965283E+04 1.80748014E+03 5.46147253E+04 5.30987710E+04 2.43828624E+03 0.00000000E+00 4.71003287E+05 6.47841731E+05 3.69471530E+04 3.70622491E+05 2.47595516E+04 6.06829342E+05 5.74393458E+05 3.23283631E+04 3.79876399E+05 0.00000000E+00 1.40467023E+03 2.56678134E+03 5.94667300E+01 1.03954408E+03 3.20009193E+01 2.12601181E+03 2.27577561E+03 4.90239937E+01 1.02595236E+03 1.39982777E-01 0.00000000E+00 1.98683736E+06 2.54188684E+06 1.81087383E+05 1.58759528E+06 1.27716552E+05 2.45746558E+06 2.25370349E+06 1.60682053E+05 1.64263766E+06 8.41065839E+03 6.02589390E+06 0.00000000E+00 4.96707306E+04 7.18621074E+04 3.50301067E+03 3.86654993E+04 2.26273716E+03 6.58473870E+04 6.37148278E+04 3.03448006E+03 3.93690817E+04 6.63368273E+01 1.90880272E+05 3.76169105E+03 0.00000000E+00 6.00750218E+04 8.59947003E+04 4.33325458E+03 4.68711055E+04 2.82099197E+03 7.91627154E+04 7.62451550E+04 3.76169105E+03 4.77908183E+04 8.90987508E+01 2.26202022E+05 4.64559155E+03 5.71629601E+03 0.00000000E+00 1.45985502E+04 2.27401052E+04 8.79040886E+02 1.11851919E+04 5.37190941E+02 2.01791425E+04 2.01619733E+04 7.50063100E+02 1.12780457E+04 9.14716912E+00 6.46047669E+04 9.55000044E+02 1.21014911E+03 2.01823541E+02 0.00000000E+00 6.82786631E+04 9.71708117E+04 4.98586848E+03 5.33379252E+04 3.25969625E+03 8.96776989E+04 8.61541883E+04 4.33325458E+03 5.44261042E+04 1.07193646E+02 2.54238516E+05 5.34045360E+03 6.55825601E+03 1.41077189E+03 7.51607703E+03 0.00000000E+00 1.61587928E+06 2.09861767E+06 1.42791446E+05 1.28707992E+06 9.96589437E+04 2.01562190E+06 1.86068943E+06 1.26338489E+05 1.32911052E+06 5.97860700E+03 5.04534981E+06 1.50848032E+05 1.79647996E+05 4.93469320E+04 2.02461849E+05 4.19430400E+06 %FLAG LENNARD_JONES_BCOEF %FORMAT(5E16.8) 0.00000000E+00 0.00000000E+00 6.99746810E+02 0.00000000E+00 6.93079947E+02 6.75612247E+02 0.00000000E+00 1.03606917E+02 1.06076943E+02 1.43076527E+01 0.00000000E+00 5.89183300E+02 5.85549272E+02 8.66220817E+01 4.95732238E+02 0.00000000E+00 8.51470647E+01 8.81685417E+01 1.14788417E+01 7.10161395E+01 9.13231543E+00 0.00000000E+00 7.50714425E+02 7.36907417E+02 1.13252061E+02 6.33305958E+02 9.36708259E+01 8.01323529E+02 0.00000000E+00 6.14502845E+02 5.99015525E+02 9.40505980E+01 5.19163331E+02 7.81725398E+01 6.53361429E+02 5.31102864E+02 0.00000000E+00 9.59185913E+01 9.85097219E+01 1.31591746E+01 8.01410250E+01 1.05333009E+01 1.05031585E+02 8.73413012E+01 1.20953369E+01 0.00000000E+00 6.29300710E+02 6.26720080E+02 9.21192136E+01 5.29252520E+02 7.54103785E+01 6.77220874E+02 5.55666448E+02 8.51921330E+01 5.64885984E+02 0.00000000E+00 1.79702257E+01 2.06278363E+01 1.93248820E+00 1.46567808E+01 1.41762397E+00 2.09604198E+01 1.82891803E+01 1.73473071E+00 1.53505284E+01 9.37598976E-02 0.00000000E+00 1.27682121E+03 1.22636552E+03 2.01468199E+02 1.08210555E+03 1.69194406E+02 1.34630496E+03 1.08732781E+03 1.87626421E+02 1.16041466E+03 4.34187588E+01 2.19561270E+03 0.00000000E+00 1.05648788E+02 1.07908863E+02 1.46638650E+01 8.83744760E+01 1.17854122E+01 1.15327881E+02 9.56748258E+01 1.34932874E+01 9.40124296E+01 2.01792524E+00 2.04498832E+02 1.50233639E+01 0.00000000E+00 1.16187983E+02 1.18043746E+02 1.63092814E+01 9.73010751E+01 1.31591746E+01 1.26451907E+02 1.04660679E+02 1.50233639E+01 1.03580945E+02 2.33864085E+00 2.22617115E+02 1.66953734E+01 1.85196588E+01 0.00000000E+00 5.79323581E+01 6.13981767E+01 7.42992380E+00 4.80771660E+01 5.80823477E+00 6.45756063E+01 5.44372326E+01 6.78541827E+00 5.08951803E+01 7.57919667E-01 1.20335756E+02 7.65648470E+00 8.61880722E+00 3.56012899E+00 0.00000000E+00 1.25287818E+02 1.26919150E+02 1.76949863E+01 1.04986921E+02 1.43076527E+01 1.36131731E+02 1.12529845E+02 1.63092814E+01 1.11805549E+02 2.59456373E+00 2.38716853E+02 1.81057616E+01 2.00642027E+01 9.41257003E+00 2.17257828E+01 0.00000000E+00 1.21753341E+03 1.17824605E+03 1.89165096E+02 1.03022002E+03 1.58033097E+02 1.28923404E+03 1.04466382E+03 1.75916126E+02 1.10369829E+03 3.87070358E+01 2.12431120E+03 1.92224012E+02 2.09772716E+02 1.11203892E+02 2.25248294E+02 2.04800000E+03 %FLAG BONDS_INC_HYDROGEN %FORMAT(10I8) 87 90 2 81 84 3 75 78 3 60 63 8 60 66 8 51 54 11 33 36 18 24 27 22 15 18 3 6 9 3 6 12 3 0 3 2 189 192 2 183 186 3 177 180 3 162 165 8 162 168 8 153 156 11 135 138 18 126 129 22 117 120 3 108 111 3 108 114 3 282 285 2 276 279 3 270 273 3 252 255 8 252 258 8 243 246 26 237 240 28 228 231 22 219 222 3 210 213 3 210 216 3 381 384 2 375 378 3 369 372 3 357 360 32 345 348 8 345 351 8 330 333 18 321 324 22 312 315 3 303 306 3 303 309 3 483 486 2 477 480 3 471 474 3 456 459 8 456 462 8 447 450 11 429 432 18 420 423 22 411 414 3 402 405 3 402 408 3 582 585 2 576 579 3 570 573 3 558 561 32 546 549 8 546 552 8 531 534 18 522 525 22 513 516 3 504 507 3 504 510 3 681 684 2 675 678 3 669 672 3 657 660 32 645 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3 10197 10200 41 10278 10281 3 10278 10284 3 10278 10287 3 10266 10269 3 10266 10272 3 10257 10260 50 10257 10263 50 10251 10254 3 10245 10248 41 10332 10335 41 10332 10338 41 10317 10320 50 10317 10323 50 10308 10311 50 10308 10314 50 10302 10305 3 10296 10299 41 10377 10380 50 10377 10383 50 10377 10386 50 10365 10368 50 10365 10371 50 10365 10374 50 10359 10362 50 10353 10356 3 10347 10350 41 10443 10446 39 10443 10449 39 10443 10452 39 10434 10437 37 10434 10440 37 10425 10428 50 10425 10431 50 10416 10419 50 10416 10422 50 10407 10410 50 10407 10413 50 10401 10404 3 10395 10398 41 10491 10494 50 10491 10497 50 10491 10500 50 10479 10482 50 10479 10485 50 10479 10488 50 10473 10476 50 10467 10470 3 10461 10464 41 10515 10518 3 10515 10521 3 10509 10512 41 10557 10560 41 10557 10563 41 10542 10545 50 10542 10548 50 10536 10539 3 10530 10533 41 10611 10614 43 10605 10608 11 10599 10602 45 10584 10587 50 10584 10590 50 10578 10581 3 10572 10575 41 10653 10656 2 10641 10644 50 10641 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11070 11073 50 11070 11076 50 11070 11079 50 11058 11061 50 11058 11064 50 11058 11067 50 11052 11055 50 11046 11049 3 11040 11043 41 11100 11103 50 11100 11106 50 11100 11109 50 11094 11097 3 11088 11091 41 11166 11169 39 11166 11172 39 11166 11175 39 11157 11160 37 11157 11163 37 11148 11151 50 11148 11154 50 11139 11142 50 11139 11145 50 11130 11133 50 11130 11136 50 11124 11127 3 11118 11121 41 11241 11244 8 11241 11247 8 11232 11235 8 11232 11238 8 11223 11226 8 11214 11217 3 11214 11220 3 11205 11208 50 11205 11211 50 11196 11199 50 11196 11202 50 11190 11193 3 11184 11187 41 11283 11286 41 11283 11289 41 11268 11271 50 11268 11274 50 11262 11265 3 11256 11259 41 11310 11313 50 11310 11316 50 11310 11319 50 11304 11307 3 11298 11301 41 11340 11343 50 11340 11346 50 11340 11349 50 11334 11337 3 11328 11331 41 11379 11382 50 11379 11385 50 11370 11373 50 11370 11376 50 11364 11367 3 11358 11361 41 11430 11433 41 11430 11436 41 11415 11418 50 11415 11421 50 11409 11412 3 11403 11406 41 11478 11481 3 11478 11484 3 11478 11487 3 11466 11469 3 11466 11472 3 11457 11460 50 11457 11463 50 11451 11454 3 11445 11448 41 11535 11538 50 11535 11541 50 11535 11544 50 11523 11526 50 11523 11529 50 11523 11532 50 11517 11520 50 11508 11511 50 11508 11514 50 11502 11505 3 11496 11499 41 11574 11577 50 11574 11580 50 11565 11568 50 11565 11571 50 11559 11562 3 11553 11556 41 11637 11640 50 11637 11643 50 11637 11646 50 11628 11631 50 11628 11634 50 11616 11619 50 11616 11622 50 11616 11625 50 11610 11613 50 11604 11607 3 11598 11601 41 11694 11697 50 11694 11700 50 11694 11703 50 11682 11685 50 11682 11688 50 11682 11691 50 11676 11679 50 11667 11670 50 11667 11673 50 11661 11664 3 11655 11658 41 11718 11721 3 11718 11724 3 11712 11715 41 11781 11784 54 11775 11778 54 11769 11772 54 11763 11766 54 11757 11760 54 11745 11748 50 11745 11751 50 11739 11742 3 11733 11736 41 11841 11844 39 11841 11847 39 11841 11850 39 11832 11835 37 11832 11838 37 11823 11826 50 11823 11829 50 11814 11817 50 11814 11820 50 11805 11808 50 11805 11811 50 11799 11802 3 11793 11796 41 %FLAG BONDS_WITHOUT_HYDROGEN %FORMAT(10I8) 93 96 1 81 87 4 75 81 5 75 93 6 69 72 7 57 60 9 57 69 10 51 57 12 45 48 13 45 51 14 42 45 15 42 72 16 39 42 17 33 39 19 30 33 20 30 72 21 24 30 23 24 81 5 21 24 6 15 21 6 15 75 5 6 15 5 3 6 4 195 198 1 183 189 4 177 183 5 177 195 6 171 174 7 159 162 9 159 171 10 153 159 12 147 150 13 147 153 14 144 147 15 144 174 16 141 144 17 135 141 19 132 135 20 132 174 21 126 132 23 126 183 5 123 126 6 117 123 6 117 177 5 108 117 5 105 108 6 96 99 24 96 102 24 96 105 1 288 291 1 276 282 4 270 276 5 270 288 6 264 267 13 261 264 25 249 252 9 249 261 10 243 249 27 237 243 29 234 237 30 234 264 31 228 234 23 228 276 5 225 228 6 219 225 6 219 270 5 210 219 5 207 210 6 198 201 24 198 204 24 198 207 1 387 390 1 375 381 4 369 375 5 369 387 6 363 366 7 357 363 33 354 357 33 342 345 9 342 354 10 339 342 34 339 366 16 336 339 17 330 336 19 327 330 20 327 366 21 321 327 23 321 375 5 318 321 6 312 318 6 312 369 5 303 312 5 300 303 6 291 294 24 291 297 24 291 300 1 489 492 1 477 483 4 471 477 5 471 489 6 465 468 7 453 456 9 453 465 10 447 453 12 441 444 13 441 447 14 438 441 15 438 468 16 435 438 17 429 435 19 426 429 20 426 468 21 420 426 23 420 477 5 417 420 6 411 417 6 411 471 5 402 411 5 399 402 6 390 393 24 390 396 24 390 399 1 588 591 1 576 582 4 570 576 5 570 588 6 564 567 7 558 564 33 555 558 33 543 546 9 543 555 10 540 543 34 540 567 16 537 540 17 531 537 19 528 531 20 528 567 21 522 528 23 522 576 5 519 522 6 513 519 6 513 570 5 504 513 5 501 504 6 492 495 24 492 498 24 492 501 1 687 690 1 675 681 4 669 675 5 669 687 6 663 666 7 657 663 33 654 657 33 642 645 9 642 654 10 639 642 34 639 666 16 636 639 17 630 636 19 627 630 20 627 666 21 621 627 23 621 675 5 618 621 6 612 618 6 612 669 5 603 612 5 600 603 6 591 594 24 591 597 24 591 600 1 789 792 1 777 783 4 771 777 5 771 789 6 765 768 7 753 756 9 753 765 10 747 753 12 741 744 13 741 747 14 738 741 15 738 768 16 735 738 17 729 735 19 726 729 20 726 768 21 720 726 23 720 777 5 717 720 6 711 717 6 711 771 5 702 711 5 699 702 6 690 693 24 690 696 24 690 699 1 882 885 1 870 876 4 864 870 5 864 882 6 858 861 13 855 858 25 843 846 9 843 855 10 837 843 27 831 837 29 828 831 30 828 858 31 822 828 23 822 870 5 819 822 6 813 819 6 813 864 5 804 813 5 801 804 6 792 795 24 792 798 24 792 801 1 972 975 1 960 966 4 954 960 5 954 972 6 948 951 13 942 948 14 936 939 13 936 942 14 930 936 35 924 930 29 921 924 30 921 948 31 915 921 23 915 960 5 912 915 6 906 912 6 906 954 5 897 906 5 894 897 6 885 888 24 885 891 24 885 894 1 1074 1077 1 1062 1068 4 1056 1062 5 1056 1074 6 1050 1053 7 1038 1041 9 1038 1050 10 1032 1038 12 1026 1029 13 1026 1032 14 1023 1026 15 1023 1053 16 1020 1023 17 1014 1020 19 1011 1014 20 1011 1053 21 1005 1011 23 1005 1062 5 1002 1005 6 996 1002 6 996 1056 5 987 996 5 984 987 6 975 978 24 975 981 24 975 984 1 1167 1170 1 1155 1161 4 1149 1155 5 1149 1167 6 1143 1146 13 1140 1143 25 1128 1131 9 1128 1140 10 1122 1128 27 1116 1122 29 1113 1116 30 1113 1143 31 1107 1113 23 1107 1155 5 1104 1107 6 1098 1104 6 1098 1149 5 1089 1098 5 1086 1089 6 1077 1080 24 1077 1083 24 1077 1086 1 1260 1263 1 1248 1254 4 1242 1248 5 1242 1260 6 1236 1239 13 1233 1236 25 1221 1224 9 1221 1233 10 1215 1221 27 1209 1215 29 1206 1209 30 1206 1236 31 1200 1206 23 1200 1248 5 1197 1200 6 1191 1197 6 1191 1242 5 1182 1191 5 1179 1182 6 1170 1173 24 1170 1176 24 1170 1179 1 1350 1353 1 1338 1344 4 1332 1338 5 1332 1350 6 1326 1329 13 1320 1326 14 1314 1317 13 1314 1320 14 1308 1314 35 1302 1308 29 1299 1302 30 1299 1326 31 1293 1299 23 1293 1338 5 1290 1293 6 1284 1290 6 1284 1332 5 1275 1284 5 1272 1275 6 1263 1266 24 1263 1269 24 1263 1272 1 1443 1446 1 1431 1437 4 1425 1431 5 1425 1443 6 1419 1422 13 1416 1419 25 1404 1407 9 1404 1416 10 1398 1404 27 1392 1398 29 1389 1392 30 1389 1419 31 1383 1389 23 1383 1431 5 1380 1383 6 1374 1380 6 1374 1425 5 1365 1374 5 1362 1365 6 1353 1356 24 1353 1359 24 1353 1362 1 1533 1536 1 1521 1527 4 1515 1521 5 1515 1533 6 1509 1512 13 1503 1509 14 1497 1500 13 1497 1503 14 1491 1497 35 1485 1491 29 1482 1485 30 1482 1509 31 1476 1482 23 1476 1521 5 1473 1476 6 1467 1473 6 1467 1515 5 1458 1467 5 1455 1458 6 1446 1449 24 1446 1452 24 1446 1455 1 1623 1626 1 1611 1617 4 1605 1611 5 1605 1623 6 1599 1602 13 1593 1599 14 1587 1590 13 1587 1593 14 1581 1587 35 1575 1581 29 1572 1575 30 1572 1599 31 1566 1572 23 1566 1611 5 1563 1566 6 1557 1563 6 1557 1605 5 1548 1557 5 1545 1548 6 1536 1539 24 1536 1542 24 1536 1545 1 1716 1719 1 1704 1710 4 1698 1704 5 1698 1716 6 1692 1695 13 1689 1692 25 1677 1680 9 1677 1689 10 1671 1677 27 1665 1671 29 1662 1665 30 1662 1692 31 1656 1662 23 1656 1704 5 1653 1656 6 1647 1653 6 1647 1698 5 1638 1647 5 1635 1638 6 1626 1629 24 1626 1632 24 1626 1635 1 1818 1821 1 1806 1812 4 1800 1806 5 1800 1818 6 1794 1797 7 1782 1785 9 1782 1794 10 1776 1782 12 1770 1773 13 1770 1776 14 1767 1770 15 1767 1797 16 1764 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2100 21 2052 2058 23 2052 2109 5 2049 2052 6 2043 2049 6 2043 2103 5 2034 2043 5 2031 2034 6 2022 2025 24 2022 2028 24 2022 2031 1 2223 2226 1 2211 2217 4 2205 2211 5 2205 2223 6 2199 2202 7 2187 2190 9 2187 2199 10 2181 2187 12 2175 2178 13 2175 2181 14 2172 2175 15 2172 2202 16 2169 2172 17 2163 2169 19 2160 2163 20 2160 2202 21 2154 2160 23 2154 2211 5 2151 2154 6 2145 2151 6 2145 2205 5 2136 2145 5 2133 2136 6 2124 2127 24 2124 2130 24 2124 2133 1 2316 2319 1 2304 2310 4 2298 2304 5 2298 2316 6 2292 2295 13 2289 2292 25 2277 2280 9 2277 2289 10 2271 2277 27 2265 2271 29 2262 2265 30 2262 2292 31 2256 2262 23 2256 2304 5 2253 2256 6 2247 2253 6 2247 2298 5 2238 2247 5 2235 2238 6 2226 2229 24 2226 2232 24 2226 2235 1 2415 2418 1 2403 2409 4 2397 2403 5 2397 2415 6 2391 2394 7 2385 2391 33 2382 2385 33 2370 2373 9 2370 2382 10 2367 2370 34 2367 2394 16 2364 2367 17 2358 2364 19 2355 2358 20 2355 2394 21 2349 2355 23 2349 2403 5 2346 2349 6 2340 2346 6 2340 2397 5 2331 2340 5 2328 2331 6 2319 2322 24 2319 2325 24 2319 2328 1 2517 2520 1 2505 2511 4 2499 2505 5 2499 2517 6 2493 2496 7 2481 2484 9 2481 2493 10 2475 2481 12 2469 2472 13 2469 2475 14 2466 2469 15 2466 2496 16 2463 2466 17 2457 2463 19 2454 2457 20 2454 2496 21 2448 2454 23 2448 2505 5 2445 2448 6 2439 2445 6 2439 2499 5 2430 2439 5 2427 2430 6 2418 2421 24 2418 2424 24 2418 2427 1 2607 2610 1 2595 2601 4 2589 2595 5 2589 2607 6 2583 2586 13 2577 2583 14 2571 2574 13 2571 2577 14 2565 2571 35 2559 2565 29 2556 2559 30 2556 2583 31 2550 2556 23 2550 2595 5 2547 2550 6 2541 2547 6 2541 2589 5 2532 2541 5 2529 2532 6 2520 2523 24 2520 2526 24 2520 2529 1 2697 2700 1 2685 2691 4 2679 2685 5 2679 2697 6 2673 2676 13 2667 2673 14 2661 2664 13 2661 2667 14 2655 2661 35 2649 2655 29 2646 2649 30 2646 2673 31 2640 2646 23 2640 2685 5 2637 2640 6 2631 2637 6 2631 2679 5 2622 2631 5 2619 2622 6 2610 2613 24 2610 2616 24 2610 2619 1 2787 2790 1 2775 2781 4 2769 2775 5 2769 2787 6 2763 2766 13 2757 2763 14 2751 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3054 5 2985 2994 5 2982 2985 6 2973 2976 24 2973 2979 24 2973 2982 1 3165 3168 1 3153 3159 4 3147 3153 5 3147 3165 6 3141 3144 13 3138 3141 25 3126 3129 9 3126 3138 10 3120 3126 27 3114 3120 29 3111 3114 30 3111 3141 31 3105 3111 23 3105 3153 5 3102 3105 6 3096 3102 6 3096 3147 5 3087 3096 5 3084 3087 6 3075 3078 24 3075 3081 24 3075 3084 1 3246 3252 4 3240 3246 5 3240 3258 4 3234 3237 13 3231 3234 25 3219 3222 9 3219 3231 10 3213 3219 27 3207 3213 29 3204 3207 30 3204 3234 31 3198 3204 23 3198 3246 5 3195 3198 6 3189 3195 6 3189 3240 5 3180 3189 5 3177 3180 6 3168 3171 24 3168 3174 24 3168 3177 1 3285 3288 13 3285 3291 36 3276 3285 38 3264 3276 40 3318 3321 13 3318 3324 36 3303 3312 4 3297 3303 5 3297 3318 38 3291 3297 42 3369 3372 13 3369 3375 36 3357 3363 44 3351 3357 46 3348 3351 47 3345 3348 48 3345 3363 49 3336 3345 51 3330 3336 5 3330 3369 38 3324 3330 42 3420 3423 13 3420 3426 36 3405 3408 52 3396 3405 52 3387 3396 5 3381 3387 5 3381 3420 38 3375 3381 42 3486 3489 13 3486 3492 36 3465 3474 40 3456 3465 5 3447 3456 5 3438 3447 5 3432 3438 5 3432 3486 38 3426 3432 42 3519 3522 13 3519 3525 36 3504 3513 4 3498 3504 5 3498 3519 38 3492 3498 42 3564 3567 13 3564 3570 36 3555 3558 53 3555 3561 53 3546 3555 38 3537 3546 5 3531 3537 5 3531 3564 38 3525 3531 42 3621 3624 13 3621 3627 36 3600 3609 5 3582 3588 5 3582 3600 5 3576 3582 5 3576 3621 38 3570 3576 42 3654 3657 13 3654 3660 36 3639 3648 4 3633 3639 5 3633 3654 38 3627 3633 42 3705 3708 13 3705 3711 36 3690 3693 13 3690 3696 36 3681 3690 38 3672 3681 5 3666 3672 5 3666 3705 38 3660 3666 42 3753 3756 13 3753 3759 36 3723 3729 5 3723 3741 5 3717 3723 5 3717 3753 38 3711 3717 42 3813 3816 13 3813 3819 36 3801 3807 55 3795 3801 55 3789 3795 55 3783 3789 55 3780 3783 55 3780 3807 55 3771 3780 56 3765 3771 5 3765 3813 38 3759 3765 42 3858 3861 13 3858 3864 36 3849 3852 53 3849 3855 53 3840 3849 38 3831 3840 5 3825 3831 5 3825 3858 38 3819 3825 42 3915 3918 13 3915 3921 36 3894 3903 5 3876 3882 5 3876 3894 5 3870 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4413 55 4401 4407 55 4398 4401 55 4398 4425 55 4389 4398 56 4383 4389 5 4383 4431 38 4377 4383 42 4476 4479 13 4476 4482 36 4467 4470 53 4467 4473 53 4458 4467 38 4449 4458 5 4443 4449 5 4443 4476 38 4437 4443 42 4524 4527 13 4524 4530 36 4494 4500 5 4494 4512 5 4488 4494 5 4488 4524 38 4482 4488 42 4554 4557 13 4554 4560 36 4536 4542 5 4536 4554 38 4530 4536 42 4626 4629 13 4626 4632 36 4605 4608 9 4605 4617 9 4599 4605 9 4590 4599 57 4581 4590 5 4572 4581 5 4566 4572 5 4566 4626 38 4560 4566 42 4671 4674 13 4671 4677 36 4662 4665 53 4662 4668 53 4653 4662 38 4644 4653 5 4638 4644 5 4638 4671 38 4632 4638 42 4704 4707 13 4704 4710 36 4689 4698 4 4683 4689 5 4683 4704 38 4677 4683 42 4725 4728 13 4725 4731 36 4716 4725 38 4710 4716 42 4767 4770 13 4767 4773 36 4761 4767 38 4752 4761 5 4743 4752 5 4734 4743 5 4731 4734 42 4731 4761 42 4809 4812 13 4809 4815 36 4803 4809 38 4794 4803 5 4785 4794 5 4776 4785 5 4773 4776 42 4773 4803 42 4860 4863 13 4860 4866 36 4848 4854 44 4842 4848 46 4839 4842 47 4836 4839 48 4836 4854 49 4827 4836 51 4821 4827 5 4821 4860 38 4815 4821 42 4911 4914 13 4911 4917 36 4896 4899 52 4887 4896 52 4878 4887 5 4872 4878 5 4872 4911 38 4866 4872 42 4977 4980 13 4977 4983 36 4956 4965 40 4947 4956 5 4938 4947 5 4929 4938 5 4923 4929 5 4923 4977 38 4917 4923 42 5019 5022 13 5019 5025 36 5004 5007 13 5004 5010 36 4995 5004 38 4989 4995 5 4989 5019 38 4983 4989 42 5079 5082 13 5079 5085 36 5067 5073 55 5061 5067 55 5055 5061 55 5049 5055 55 5046 5049 55 5046 5073 55 5037 5046 56 5031 5037 5 5031 5079 38 5025 5031 42 5127 5130 13 5127 5133 36 5097 5103 5 5097 5115 5 5091 5097 5 5091 5127 38 5085 5091 42 5169 5172 13 5169 5175 36 5145 5151 5 5145 5163 4 5139 5145 5 5139 5169 38 5133 5139 42 5235 5238 13 5235 5241 36 5214 5223 40 5205 5214 5 5196 5205 5 5187 5196 5 5181 5187 5 5181 5235 38 5175 5181 42 5283 5286 13 5283 5289 36 5253 5259 5 5253 5271 5 5247 5253 5 5247 5283 38 5241 5247 42 5316 5319 13 5316 5322 36 5301 5310 4 5295 5301 5 5295 5316 38 5289 5295 42 5364 5367 13 5364 5370 36 5334 5340 5 5334 5352 5 5328 5334 5 5328 5364 38 5322 5328 42 5385 5388 13 5385 5391 36 5376 5385 38 5370 5376 42 5430 5433 13 5430 5436 36 5421 5424 53 5421 5427 53 5412 5421 38 5403 5412 5 5397 5403 5 5397 5430 38 5391 5397 42 5490 5493 13 5490 5496 36 5478 5484 55 5472 5478 55 5466 5472 55 5460 5466 55 5457 5460 55 5457 5484 55 5448 5457 56 5442 5448 5 5442 5490 38 5436 5442 42 5538 5541 13 5538 5544 36 5508 5514 5 5508 5526 5 5502 5508 5 5502 5538 38 5496 5502 42 5559 5562 13 5559 5565 36 5550 5559 38 5544 5550 42 5604 5607 13 5604 5610 36 5595 5598 53 5595 5601 53 5586 5595 38 5577 5586 5 5571 5577 5 5571 5604 38 5565 5571 42 5625 5628 13 5625 5631 36 5616 5625 38 5610 5616 42 5670 5673 13 5670 5676 36 5661 5664 53 5661 5667 53 5652 5661 38 5643 5652 5 5637 5643 5 5637 5670 38 5631 5637 42 5691 5694 13 5691 5697 36 5682 5691 38 5676 5682 42 5757 5760 13 5757 5763 36 5736 5745 40 5727 5736 5 5718 5727 5 5709 5718 5 5703 5709 5 5703 5757 38 5697 5703 42 5790 5793 13 5790 5796 36 5775 5784 4 5769 5775 5 5769 5790 38 5763 5769 42 5856 5859 13 5856 5862 36 5835 5844 40 5826 5835 5 5817 5826 5 5808 5817 5 5802 5808 5 5802 5856 38 5796 5802 42 5922 5925 13 5922 5928 36 5901 5910 40 5892 5901 5 5883 5892 5 5874 5883 5 5868 5874 5 5868 5922 38 5862 5868 42 5979 5982 13 5979 5985 36 5958 5967 5 5940 5946 5 5940 5958 5 5934 5940 5 5934 5979 38 5928 5934 42 6012 6015 13 6012 6018 36 5997 6006 4 5991 5997 5 5991 6012 38 5985 5991 42 6078 6081 13 6078 6084 36 6057 6066 40 6048 6057 5 6039 6048 5 6030 6039 5 6024 6030 5 6024 6078 38 6018 6024 42 6144 6147 13 6144 6150 36 6123 6132 40 6114 6123 5 6105 6114 5 6096 6105 5 6090 6096 5 6090 6144 38 6084 6090 42 6186 6189 13 6186 6192 36 6171 6174 13 6171 6177 36 6162 6171 38 6156 6162 5 6156 6186 38 6150 6156 42 6216 6219 13 6216 6222 36 6198 6204 5 6198 6216 38 6192 6198 42 6246 6249 13 6246 6252 36 6228 6234 5 6228 6246 38 6222 6228 42 6303 6306 13 6303 6309 36 6282 6291 5 6264 6270 5 6264 6282 5 6258 6264 5 6258 6303 38 6252 6258 42 6333 6336 13 6333 6339 36 6315 6321 5 6315 6333 38 6309 6315 42 6381 6384 13 6381 6387 36 6351 6357 5 6351 6369 5 6345 6351 5 6345 6381 38 6339 6345 42 6438 6441 13 6438 6444 36 6408 6414 5 6408 6426 5 6399 6408 5 6393 6399 5 6393 6438 38 6387 6393 42 6483 6486 13 6483 6489 36 6474 6477 53 6474 6480 53 6465 6474 38 6456 6465 5 6450 6456 5 6450 6483 38 6444 6450 42 6528 6531 13 6528 6534 36 6519 6522 53 6519 6525 53 6510 6519 38 6501 6510 5 6495 6501 5 6495 6528 38 6489 6495 42 6585 6588 13 6585 6591 36 6555 6561 5 6555 6573 5 6546 6555 5 6540 6546 5 6540 6585 38 6534 6540 42 6651 6654 13 6651 6657 36 6630 6639 40 6621 6630 5 6612 6621 5 6603 6612 5 6597 6603 5 6597 6651 38 6591 6597 42 6717 6720 13 6717 6723 36 6696 6705 40 6687 6696 5 6678 6687 5 6669 6678 5 6663 6669 5 6663 6717 38 6657 6663 42 6774 6777 13 6774 6780 36 6744 6750 5 6744 6762 5 6735 6744 5 6729 6735 5 6729 6774 38 6723 6729 42 6816 6819 13 6816 6822 36 6810 6816 38 6801 6810 5 6792 6801 5 6783 6792 5 6780 6783 42 6780 6810 42 6858 6861 13 6858 6864 36 6852 6858 38 6843 6852 5 6834 6843 5 6825 6834 5 6822 6825 42 6822 6852 42 6915 6918 13 6915 6921 36 6885 6891 5 6885 6903 5 6876 6885 5 6870 6876 5 6870 6915 38 6864 6870 42 6957 6960 13 6957 6963 36 6951 6957 38 6942 6951 5 6933 6942 5 6924 6933 5 6921 6924 42 6921 6951 42 6987 6990 13 6987 6993 36 6969 6975 5 6969 6987 38 6963 6969 42 7035 7038 13 7035 7041 36 7005 7011 5 7005 7023 5 6999 7005 5 6999 7035 38 6993 6999 42 7080 7083 13 7080 7086 36 7071 7074 53 7071 7077 53 7062 7071 38 7053 7062 5 7047 7053 5 7047 7080 38 7041 7047 42 7152 7155 13 7152 7158 36 7131 7134 9 7131 7143 9 7125 7131 9 7116 7125 57 7107 7116 5 7098 7107 5 7092 7098 5 7092 7152 38 7086 7092 42 7200 7203 13 7200 7206 36 7170 7176 5 7170 7188 5 7164 7170 5 7164 7200 38 7158 7164 42 7266 7269 13 7266 7272 36 7245 7254 40 7236 7245 5 7227 7236 5 7218 7227 5 7212 7218 5 7212 7266 38 7206 7212 42 7308 7311 13 7308 7314 36 7302 7308 38 7293 7302 5 7284 7293 5 7275 7284 5 7272 7275 42 7272 7302 42 7380 7383 13 7380 7386 36 7359 7362 9 7359 7371 9 7353 7359 9 7344 7353 57 7335 7344 5 7326 7335 5 7320 7326 5 7320 7380 38 7314 7320 42 7437 7440 13 7437 7443 36 7416 7425 5 7398 7404 5 7398 7416 5 7392 7398 5 7392 7437 38 7386 7392 42 7503 7506 13 7503 7509 36 7482 7491 40 7473 7482 5 7464 7473 5 7455 7464 5 7449 7455 5 7449 7503 38 7443 7449 42 7569 7572 13 7569 7575 36 7548 7557 40 7539 7548 5 7530 7539 5 7521 7530 5 7515 7521 5 7515 7569 38 7509 7515 42 7635 7638 13 7635 7641 36 7614 7623 40 7605 7614 5 7596 7605 5 7587 7596 5 7581 7587 5 7581 7635 38 7575 7581 42 7677 7680 13 7677 7683 36 7653 7659 5 7653 7671 4 7647 7653 5 7647 7677 38 7641 7647 42 7743 7746 13 7743 7749 36 7722 7731 40 7713 7722 5 7704 7713 5 7695 7704 5 7689 7695 5 7689 7743 38 7683 7689 42 7785 7788 13 7785 7791 36 7779 7785 38 7770 7779 5 7761 7770 5 7752 7761 5 7749 7752 42 7749 7779 42 7842 7845 13 7842 7848 36 7821 7830 5 7803 7809 5 7803 7821 5 7797 7803 5 7797 7842 38 7791 7797 42 7890 7893 13 7890 7896 36 7860 7866 5 7860 7878 5 7854 7860 5 7854 7890 38 7848 7854 42 7956 7959 13 7956 7962 36 7935 7944 40 7926 7935 5 7917 7926 5 7908 7917 5 7902 7908 5 7902 7956 38 7896 7902 42 7998 8001 13 7998 8004 36 7992 7998 38 7983 7992 5 7974 7983 5 7965 7974 5 7962 7965 42 7962 7992 42 8049 8052 13 8049 8055 36 8034 8037 13 8034 8040 36 8025 8034 38 8016 8025 5 8010 8016 5 8010 8049 38 8004 8010 42 8091 8094 13 8091 8097 36 8067 8073 5 8067 8085 4 8061 8067 5 8061 8091 38 8055 8061 42 8124 8127 13 8124 8130 36 8109 8118 4 8103 8109 5 8103 8124 38 8097 8103 42 8166 8169 13 8166 8172 36 8160 8166 38 8151 8160 5 8142 8151 5 8133 8142 5 8130 8133 42 8130 8160 42 8211 8214 13 8211 8217 36 8202 8205 53 8202 8208 53 8193 8202 38 8184 8193 5 8178 8184 5 8178 8211 38 8172 8178 42 8274 8277 13 8274 8280 36 8262 8268 55 8253 8256 58 8253 8262 59 8247 8253 59 8241 8247 55 8238 8241 55 8238 8268 55 8229 8238 56 8223 8229 5 8223 8274 38 8217 8223 42 8295 8298 13 8295 8301 36 8286 8295 38 8280 8286 42 8346 8349 13 8346 8352 36 8331 8334 13 8331 8337 36 8322 8331 38 8313 8322 5 8307 8313 5 8307 8346 38 8301 8307 42 8367 8370 13 8367 8373 36 8358 8367 38 8352 8358 42 8424 8427 13 8424 8430 36 8403 8412 5 8385 8391 5 8385 8403 5 8379 8385 5 8379 8424 38 8373 8379 42 8466 8469 13 8466 8472 36 8451 8454 13 8451 8457 36 8442 8451 38 8436 8442 5 8436 8466 38 8430 8436 42 8508 8511 13 8508 8514 36 8502 8508 38 8493 8502 5 8484 8493 5 8475 8484 5 8472 8475 42 8472 8502 42 8565 8568 13 8565 8571 36 8544 8553 5 8526 8532 5 8526 8544 5 8520 8526 5 8520 8565 38 8514 8520 42 8598 8601 13 8598 8604 36 8583 8592 4 8577 8583 5 8577 8598 38 8571 8577 42 8670 8673 13 8670 8676 36 8649 8652 9 8649 8661 9 8643 8649 9 8634 8643 57 8625 8634 5 8616 8625 5 8610 8616 5 8610 8670 38 8604 8610 42 8727 8730 13 8727 8733 36 8697 8703 5 8697 8715 5 8688 8697 5 8682 8688 5 8682 8727 38 8676 8682 42 8757 8760 13 8757 8763 36 8739 8745 5 8739 8757 38 8733 8739 42 8808 8811 13 8808 8814 36 8793 8796 13 8793 8799 36 8784 8793 38 8775 8784 5 8769 8775 5 8769 8808 38 8763 8769 42 8865 8868 13 8865 8871 36 8844 8853 5 8826 8832 5 8826 8844 5 8820 8826 5 8820 8865 38 8814 8820 42 8916 8919 13 8916 8922 36 8901 8904 13 8901 8907 36 8892 8901 38 8883 8892 5 8877 8883 5 8877 8916 38 8871 8877 42 8967 8970 13 8967 8973 36 8952 8955 13 8952 8958 36 8943 8952 38 8934 8943 5 8928 8934 5 8928 8967 38 8922 8928 42 8997 9000 13 8997 9003 36 8979 8985 5 8979 8997 38 8973 8979 42 9063 9066 13 9063 9069 36 9042 9051 40 9033 9042 5 9024 9033 5 9015 9024 5 9009 9015 5 9009 9063 38 9003 9009 42 9129 9132 13 9129 9135 36 9108 9117 40 9099 9108 5 9090 9099 5 9081 9090 5 9075 9081 5 9075 9129 38 9069 9075 42 9174 9177 13 9174 9180 36 9165 9168 53 9165 9171 53 9156 9165 38 9147 9156 5 9141 9147 5 9141 9174 38 9135 9141 42 9240 9243 13 9240 9246 36 9219 9228 40 9210 9219 5 9201 9210 5 9192 9201 5 9186 9192 5 9186 9240 38 9180 9186 42 9285 9288 13 9285 9291 36 9276 9279 53 9276 9282 53 9267 9276 38 9258 9267 5 9252 9258 5 9252 9285 38 9246 9252 42 9327 9330 13 9327 9333 36 9321 9327 38 9312 9321 5 9303 9312 5 9294 9303 5 9291 9294 42 9291 9321 42 9372 9375 13 9372 9378 36 9363 9366 53 9363 9369 53 9354 9363 38 9345 9354 5 9339 9345 5 9339 9372 38 9333 9339 42 9435 9438 13 9435 9441 36 9423 9429 55 9414 9417 58 9414 9423 59 9408 9414 59 9402 9408 55 9399 9402 55 9399 9429 55 9390 9399 56 9384 9390 5 9384 9435 38 9378 9384 42 9477 9480 13 9477 9483 36 9453 9459 5 9453 9471 4 9447 9453 5 9447 9477 38 9441 9447 42 9534 9537 13 9534 9540 36 9504 9510 5 9504 9522 5 9495 9504 5 9489 9495 5 9489 9534 38 9483 9489 42 9591 9594 13 9591 9597 36 9561 9567 5 9561 9579 5 9552 9561 5 9546 9552 5 9546 9591 38 9540 9546 42 9633 9636 13 9633 9639 36 9609 9615 5 9609 9627 4 9603 9609 5 9603 9633 38 9597 9603 42 9678 9681 13 9678 9684 36 9669 9672 53 9669 9675 53 9660 9669 38 9651 9660 5 9645 9651 5 9645 9678 38 9639 9645 42 9750 9753 13 9750 9756 36 9729 9732 9 9729 9741 9 9723 9729 9 9714 9723 57 9705 9714 5 9696 9705 5 9690 9696 5 9690 9750 38 9684 9690 42 9771 9774 13 9771 9777 36 9762 9771 38 9756 9762 42 9828 9831 13 9828 9834 36 9798 9804 5 9798 9816 5 9789 9798 5 9783 9789 5 9783 9828 38 9777 9783 42 9870 9873 13 9870 9876 36 9864 9870 38 9855 9864 5 9846 9855 5 9837 9846 5 9834 9837 42 9834 9864 42 9942 9945 13 9942 9948 36 9921 9924 9 9921 9933 9 9915 9921 9 9906 9915 57 9897 9906 5 9888 9897 5 9882 9888 5 9882 9942 38 9876 9882 42 10014 10017 13 10014 10020 36 9993 9996 9 9993 10005 9 9987 9993 9 9978 9987 57 9969 9978 5 9960 9969 5 9954 9960 5 9954 10014 38 9948 9954 42 10086 10089 13 10086 10092 36 10065 10068 9 10065 10077 9 10059 10065 9 10050 10059 57 10041 10050 5 10032 10041 5 10026 10032 5 10026 10086 38 10020 10026 42 10131 10134 13 10131 10137 36 10122 10125 53 10122 10128 53 10113 10122 38 10104 10113 5 10098 10104 5 10098 10131 38 10092 10098 42 10191 10194 13 10191 10197 36 10179 10185 55 10173 10179 55 10167 10173 55 10161 10167 55 10158 10161 55 10158 10185 55 10149 10158 56 10143 10149 5 10143 10191 38 10137 10143 42 10239 10242 13 10239 10245 36 10209 10215 5 10209 10227 5 10203 10209 5 10203 10239 38 10197 10203 42 10290 10293 13 10290 10296 36 10275 10278 52 10266 10275 52 10257 10266 5 10251 10257 5 10251 10290 38 10245 10251 42 10341 10344 13 10341 10347 36 10326 10329 13 10326 10332 36 10317 10326 38 10308 10317 5 10302 10308 5 10302 10341 38 10296 10302 42 10389 10392 13 10389 10395 36 10359 10365 5 10359 10377 5 10353 10359 5 10353 10389 38 10347 10353 42 10455 10458 13 10455 10461 36 10434 10443 40 10425 10434 5 10416 10425 5 10407 10416 5 10401 10407 5 10401 10455 38 10395 10401 42 10503 10506 13 10503 10509 36 10473 10479 5 10473 10491 5 10467 10473 5 10467 10503 38 10461 10467 42 10524 10527 13 10524 10530 36 10515 10524 38 10509 10515 42 10566 10569 13 10566 10572 36 10551 10554 13 10551 10557 36 10542 10551 38 10536 10542 5 10536 10566 38 10530 10536 42 10617 10620 13 10617 10623 36 10605 10611 44 10599 10605 46 10596 10599 47 10593 10596 48 10593 10611 49 10584 10593 51 10578 10584 5 10578 10617 38 10572 10578 42 10659 10662 13 10659 10665 36 10635 10641 5 10635 10653 4 10629 10635 5 10629 10659 38 10623 10629 42 10689 10692 13 10689 10695 36 10671 10677 5 10671 10689 38 10665 10671 42 10734 10737 13 10734 10740 36 10725 10728 53 10725 10731 53 10716 10725 38 10707 10716 5 10701 10707 5 10701 10734 38 10695 10701 42 10755 10758 13 10755 10761 36 10746 10755 38 10740 10746 42 10797 10800 13 10797 10803 36 10773 10779 5 10773 10791 4 10767 10773 5 10767 10797 38 10761 10767 42 10818 10821 13 10818 10824 36 10809 10818 38 10803 10809 42 10860 10863 13 10860 10866 36 10836 10842 5 10836 10854 4 10830 10836 5 10830 10860 38 10824 10830 42 10902 10905 13 10902 10908 36 10887 10890 13 10887 10893 36 10878 10887 38 10872 10878 5 10872 10902 38 10866 10872 42 10968 10971 13 10968 10974 36 10947 10956 40 10938 10947 5 10929 10938 5 10920 10929 5 10914 10920 5 10914 10968 38 10908 10914 42 11034 11037 13 11034 11040 36 11013 11022 40 11004 11013 5 10995 11004 5 10986 10995 5 10980 10986 5 10980 11034 38 10974 10980 42 11082 11085 13 11082 11088 36 11052 11058 5 11052 11070 5 11046 11052 5 11046 11082 38 11040 11046 42 11112 11115 13 11112 11118 36 11094 11100 5 11094 11112 38 11088 11094 42 11178 11181 13 11178 11184 36 11157 11166 40 11148 11157 5 11139 11148 5 11130 11139 5 11124 11130 5 11124 11178 38 11118 11124 42 11250 11253 13 11250 11256 36 11229 11232 9 11229 11241 9 11223 11229 9 11214 11223 57 11205 11214 5 11196 11205 5 11190 11196 5 11190 11250 38 11184 11190 42 11292 11295 13 11292 11298 36 11277 11280 13 11277 11283 36 11268 11277 38 11262 11268 5 11262 11292 38 11256 11262 42 11322 11325 13 11322 11328 36 11304 11310 5 11304 11322 38 11298 11304 42 11352 11355 13 11352 11358 36 11334 11340 5 11334 11352 38 11328 11334 42 11397 11400 13 11397 11403 36 11388 11391 53 11388 11394 53 11379 11388 38 11370 11379 5 11364 11370 5 11364 11397 38 11358 11364 42 11439 11442 13 11439 11445 36 11424 11427 13 11424 11430 36 11415 11424 38 11409 11415 5 11409 11439 38 11403 11409 42 11490 11493 13 11490 11496 36 11475 11478 52 11466 11475 52 11457 11466 5 11451 11457 5 11451 11490 38 11445 11451 42 11547 11550 13 11547 11553 36 11517 11523 5 11517 11535 5 11508 11517 5 11502 11508 5 11502 11547 38 11496 11502 42 11592 11595 13 11592 11598 36 11583 11586 53 11583 11589 53 11574 11583 38 11565 11574 5 11559 11565 5 11559 11592 38 11553 11559 42 11649 11652 13 11649 11655 36 11628 11637 5 11610 11616 5 11610 11628 5 11604 11610 5 11604 11649 38 11598 11604 42 11706 11709 13 11706 11712 36 11676 11682 5 11676 11694 5 11667 11676 5 11661 11667 5 11661 11706 38 11655 11661 42 11727 11730 13 11727 11733 36 11718 11727 38 11712 11718 42 11787 11790 13 11787 11793 36 11775 11781 55 11769 11775 55 11763 11769 55 11757 11763 55 11754 11757 55 11754 11781 55 11745 11754 56 11739 11745 5 11739 11787 38 11733 11739 42 11853 11856 53 11853 11859 53 11832 11841 40 11823 11832 5 11814 11823 5 11805 11814 5 11799 11805 5 11799 11853 38 11793 11799 42 %FLAG ANGLES_INC_HYDROGEN %FORMAT(10I8) 84 81 87 3 81 87 90 5 78 75 81 6 78 75 93 7 75 81 84 6 63 60 66 10 57 60 63 12 57 60 66 12 54 51 57 14 45 51 54 19 36 33 39 26 30 33 36 30 27 24 30 34 27 24 81 35 24 81 84 6 21 24 27 39 18 15 21 7 18 15 75 6 15 75 78 6 12 6 15 6 9 6 12 42 9 6 15 6 6 15 18 6 3 6 9 3 3 6 12 3 0 3 6 5 186 183 189 3 183 189 192 5 180 177 183 6 180 177 195 7 177 183 186 6 165 162 168 10 159 162 165 12 159 162 168 12 156 153 159 14 147 153 156 19 138 135 141 26 132 135 138 30 129 126 132 34 129 126 183 35 126 183 186 6 123 126 129 39 120 117 123 7 120 117 177 6 117 177 180 6 114 108 117 6 111 108 114 42 111 108 117 6 108 117 120 6 105 108 111 7 105 108 114 7 279 276 282 3 276 282 285 5 273 270 276 6 273 270 288 7 270 276 279 6 255 252 258 10 249 252 255 12 249 252 258 12 246 243 249 46 240 237 243 49 237 243 246 51 234 237 240 53 231 228 234 34 231 228 276 35 228 276 279 6 225 228 231 39 222 219 225 7 222 219 270 6 219 270 273 6 216 210 219 6 213 210 216 42 213 210 219 6 210 219 222 6 207 210 213 7 207 210 216 7 378 375 381 3 375 381 384 5 372 369 375 6 372 369 387 7 369 375 378 6 360 357 363 59 354 357 360 59 348 345 351 10 342 345 348 12 342 345 351 12 333 330 336 26 327 330 333 30 324 321 327 34 324 321 375 35 321 375 378 6 318 321 324 39 315 312 318 7 315 312 369 6 312 369 372 6 309 303 312 6 306 303 309 42 306 303 312 6 303 312 315 6 300 303 306 7 300 303 309 7 480 477 483 3 477 483 486 5 474 471 477 6 474 471 489 7 471 477 480 6 459 456 462 10 453 456 459 12 453 456 462 12 450 447 453 14 441 447 450 19 432 429 435 26 426 429 432 30 423 420 426 34 423 420 477 35 420 477 480 6 417 420 423 39 414 411 417 7 414 411 471 6 411 471 474 6 408 402 411 6 405 402 408 42 405 402 411 6 402 411 414 6 399 402 405 7 399 402 408 7 579 576 582 3 576 582 585 5 573 570 576 6 573 570 588 7 570 576 579 6 561 558 564 59 555 558 561 59 549 546 552 10 543 546 549 12 543 546 552 12 534 531 537 26 528 531 534 30 525 522 528 34 525 522 576 35 522 576 579 6 519 522 525 39 516 513 519 7 516 513 570 6 513 570 573 6 510 504 513 6 507 504 510 42 507 504 513 6 504 513 516 6 501 504 507 7 501 504 510 7 678 675 681 3 675 681 684 5 672 669 675 6 672 669 687 7 669 675 678 6 660 657 663 59 654 657 660 59 648 645 651 10 642 645 648 12 642 645 651 12 633 630 636 26 627 630 633 30 624 621 627 34 624 621 675 35 621 675 678 6 618 621 624 39 615 612 618 7 615 612 669 6 612 669 672 6 609 603 612 6 606 603 609 42 606 603 612 6 603 612 615 6 600 603 606 7 600 603 609 7 780 777 783 3 777 783 786 5 774 771 777 6 774 771 789 7 771 777 780 6 759 756 762 10 753 756 759 12 753 756 762 12 750 747 753 14 741 747 750 19 732 729 735 26 726 729 732 30 723 720 726 34 723 720 777 35 720 777 780 6 717 720 723 39 714 711 717 7 714 711 771 6 711 771 774 6 708 702 711 6 705 702 708 42 705 702 711 6 702 711 714 6 699 702 705 7 699 702 708 7 873 870 876 3 870 876 879 5 867 864 870 6 867 864 882 7 864 870 873 6 849 846 852 10 843 846 849 12 843 846 852 12 840 837 843 46 834 831 837 49 831 837 840 51 828 831 834 53 825 822 828 34 825 822 870 35 822 870 873 6 819 822 825 39 816 813 819 7 816 813 864 6 813 864 867 6 810 804 813 6 807 804 810 42 807 804 813 6 804 813 816 6 801 804 807 7 801 804 810 7 963 960 966 3 960 966 969 5 957 954 960 6 957 954 972 7 954 960 963 6 945 942 948 19 936 942 945 19 933 930 936 68 927 924 930 49 924 930 933 51 921 924 927 53 918 915 921 34 918 915 960 35 915 960 963 6 912 915 918 39 909 906 912 7 909 906 954 6 906 954 957 6 903 897 906 6 900 897 903 42 900 897 906 6 897 906 909 6 894 897 900 7 894 897 903 7 1065 1062 1068 3 1062 1068 1071 5 1059 1056 1062 6 1059 1056 1074 7 1056 1062 1065 6 1044 1041 1047 10 1038 1041 1044 12 1038 1041 1047 12 1035 1032 1038 14 1026 1032 1035 19 1017 1014 1020 26 1011 1014 1017 30 1008 1005 1011 34 1008 1005 1062 35 1005 1062 1065 6 1002 1005 1008 39 999 996 1002 7 999 996 1056 6 996 1056 1059 6 993 987 996 6 990 987 993 42 990 987 996 6 987 996 999 6 984 987 990 7 984 987 993 7 1158 1155 1161 3 1155 1161 1164 5 1152 1149 1155 6 1152 1149 1167 7 1149 1155 1158 6 1134 1131 1137 10 1128 1131 1134 12 1128 1131 1137 12 1125 1122 1128 46 1119 1116 1122 49 1116 1122 1125 51 1113 1116 1119 53 1110 1107 1113 34 1110 1107 1155 35 1107 1155 1158 6 1104 1107 1110 39 1101 1098 1104 7 1101 1098 1149 6 1098 1149 1152 6 1095 1089 1098 6 1092 1089 1095 42 1092 1089 1098 6 1089 1098 1101 6 1086 1089 1092 7 1086 1089 1095 7 1251 1248 1254 3 1248 1254 1257 5 1245 1242 1248 6 1245 1242 1260 7 1242 1248 1251 6 1227 1224 1230 10 1221 1224 1227 12 1221 1224 1230 12 1218 1215 1221 46 1212 1209 1215 49 1209 1215 1218 51 1206 1209 1212 53 1203 1200 1206 34 1203 1200 1248 35 1200 1248 1251 6 1197 1200 1203 39 1194 1191 1197 7 1194 1191 1242 6 1191 1242 1245 6 1188 1182 1191 6 1185 1182 1188 42 1185 1182 1191 6 1182 1191 1194 6 1179 1182 1185 7 1179 1182 1188 7 1341 1338 1344 3 1338 1344 1347 5 1335 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9615 9624 105 9609 9627 9630 5 9606 9603 9609 6 9606 9603 9633 85 9603 9609 9612 6 9600 9597 9603 86 9597 9603 9606 87 9678 9684 9687 74 9666 9660 9669 113 9663 9660 9666 102 9663 9660 9669 113 9657 9651 9660 105 9654 9651 9657 102 9654 9651 9660 105 9651 9660 9663 105 9651 9660 9666 105 9648 9645 9651 6 9648 9645 9678 85 9645 9651 9654 105 9645 9651 9657 105 9642 9639 9645 86 9639 9645 9648 87 9750 9756 9759 74 9744 9741 9747 10 9735 9732 9738 10 9729 9732 9735 12 9729 9732 9738 12 9729 9741 9744 12 9729 9741 9747 12 9726 9723 9729 12 9720 9714 9723 122 9717 9714 9720 42 9717 9714 9723 122 9714 9723 9726 123 9711 9705 9714 105 9708 9705 9711 102 9708 9705 9714 105 9705 9714 9717 6 9705 9714 9720 6 9702 9696 9705 105 9699 9696 9702 102 9699 9696 9705 105 9696 9705 9708 105 9696 9705 9711 105 9693 9690 9696 6 9693 9690 9750 85 9690 9696 9699 105 9690 9696 9702 105 9687 9684 9690 86 9684 9690 9693 87 9771 9777 9780 74 9768 9762 9771 85 9765 9762 9768 42 9765 9762 9771 85 9759 9756 9762 86 9756 9762 9765 87 9756 9762 9768 87 9822 9816 9825 102 9819 9816 9822 102 9819 9816 9825 102 9810 9804 9813 102 9807 9804 9810 102 9807 9804 9813 102 9801 9798 9804 105 9801 9798 9816 105 9798 9804 9807 105 9798 9804 9810 105 9798 9804 9813 105 9798 9816 9819 105 9798 9816 9822 105 9798 9816 9825 105 9795 9789 9798 105 9792 9789 9795 102 9792 9789 9798 105 9789 9798 9801 105 9786 9783 9789 6 9786 9783 9828 85 9783 9789 9792 105 9783 9789 9795 105 9780 9777 9783 86 9777 9783 9786 87 9870 9876 9879 74 9867 9864 9870 85 9861 9855 9864 105 9858 9855 9861 102 9858 9855 9864 105 9855 9864 9867 6 9852 9846 9855 105 9849 9846 9852 102 9849 9846 9855 105 9846 9855 9858 105 9846 9855 9861 105 9843 9837 9846 6 9840 9837 9843 42 9840 9837 9846 6 9837 9846 9849 105 9837 9846 9852 105 9834 9837 9840 87 9834 9837 9843 87 9834 9864 9867 87 9942 9948 9951 74 9936 9933 9939 10 9927 9924 9930 10 9921 9924 9927 12 9921 9924 9930 12 9921 9933 9936 12 9921 9933 9939 12 9918 9915 9921 12 9912 9906 9915 122 9909 9906 9912 42 9909 9906 9915 122 9906 9915 9918 123 9903 9897 9906 105 9900 9897 9903 102 9900 9897 9906 105 9897 9906 9909 6 9897 9906 9912 6 9894 9888 9897 105 9891 9888 9894 102 9891 9888 9897 105 9888 9897 9900 105 9888 9897 9903 105 9885 9882 9888 6 9885 9882 9942 85 9882 9888 9891 105 9882 9888 9894 105 9879 9876 9882 86 9876 9882 9885 87 10014 10020 10023 74 10008 10005 10011 10 9999 9996 10002 10 9993 9996 9999 12 9993 9996 10002 12 9993 10005 10008 12 9993 10005 10011 12 9990 9987 9993 12 9984 9978 9987 122 9981 9978 9984 42 9981 9978 9987 122 9978 9987 9990 123 9975 9969 9978 105 9972 9969 9975 102 9972 9969 9978 105 9969 9978 9981 6 9969 9978 9984 6 9966 9960 9969 105 9963 9960 9966 102 9963 9960 9969 105 9960 9969 9972 105 9960 9969 9975 105 9957 9954 9960 6 9957 9954 10014 85 9954 9960 9963 105 9954 9960 9966 105 9951 9948 9954 86 9948 9954 9957 87 10086 10092 10095 74 10080 10077 10083 10 10071 10068 10074 10 10065 10068 10071 12 10065 10068 10074 12 10065 10077 10080 12 10065 10077 10083 12 10062 10059 10065 12 10056 10050 10059 122 10053 10050 10056 42 10053 10050 10059 122 10050 10059 10062 123 10047 10041 10050 105 10044 10041 10047 102 10044 10041 10050 105 10041 10050 10053 6 10041 10050 10056 6 10038 10032 10041 105 10035 10032 10038 102 10035 10032 10041 105 10032 10041 10044 105 10032 10041 10047 105 10029 10026 10032 6 10029 10026 10086 85 10026 10032 10035 105 10026 10032 10038 105 10023 10020 10026 86 10020 10026 10029 87 10131 10137 10140 74 10119 10113 10122 113 10116 10113 10119 102 10116 10113 10122 113 10110 10104 10113 105 10107 10104 10110 102 10107 10104 10113 105 10104 10113 10116 105 10104 10113 10119 105 10101 10098 10104 6 10101 10098 10131 85 10098 10104 10107 105 10098 10104 10110 105 10095 10092 10098 86 10092 10098 10101 87 10191 10197 10200 74 10182 10179 10185 116 10179 10185 10188 116 10176 10173 10179 116 10173 10179 10182 116 10170 10167 10173 116 10167 10173 10176 116 10164 10161 10167 116 10161 10167 10170 116 10158 10161 10164 116 10158 10185 10188 116 10155 10149 10158 118 10152 10149 10155 102 10152 10149 10158 118 10146 10143 10149 6 10146 10143 10191 85 10143 10149 10152 105 10143 10149 10155 105 10140 10137 10143 86 10137 10143 10146 87 10239 10245 10248 74 10233 10227 10236 102 10230 10227 10233 102 10230 10227 10236 102 10221 10215 10224 102 10218 10215 10221 102 10218 10215 10224 102 10212 10209 10215 105 10212 10209 10227 105 10209 10215 10218 105 10209 10215 10221 105 10209 10215 10224 105 10209 10227 10230 105 10209 10227 10233 105 10209 10227 10236 105 10206 10203 10209 6 10206 10203 10239 85 10203 10209 10212 105 10200 10197 10203 86 10197 10203 10206 87 10290 10296 10299 74 10284 10278 10287 42 10281 10278 10284 42 10281 10278 10287 42 10275 10278 10281 107 10275 10278 10284 107 10275 10278 10287 107 10272 10266 10275 107 10269 10266 10272 42 10269 10266 10275 107 10263 10257 10266 105 10260 10257 10263 102 10260 10257 10266 105 10257 10266 10269 6 10257 10266 10272 6 10254 10251 10257 6 10254 10251 10290 85 10251 10257 10260 105 10251 10257 10263 105 10248 10245 10251 86 10245 10251 10254 87 10341 10347 10350 74 10335 10332 10338 115 10326 10332 10335 74 10326 10332 10338 74 10323 10317 10326 113 10320 10317 10323 102 10320 10317 10326 113 10314 10308 10317 105 10311 10308 10314 102 10311 10308 10317 105 10308 10317 10320 105 10308 10317 10323 105 10305 10302 10308 6 10305 10302 10341 85 10302 10308 10311 105 10302 10308 10314 105 10299 10296 10302 86 10296 10302 10305 87 10389 10395 10398 74 10383 10377 10386 102 10380 10377 10383 102 10380 10377 10386 102 10371 10365 10374 102 10368 10365 10371 102 10368 10365 10374 102 10362 10359 10365 105 10362 10359 10377 105 10359 10365 10368 105 10359 10365 10371 105 10359 10365 10374 105 10359 10377 10380 105 10359 10377 10383 105 10359 10377 10386 105 10356 10353 10359 6 10356 10353 10389 85 10353 10359 10362 105 10350 10347 10353 86 10347 10353 10356 87 10455 10461 10464 74 10449 10443 10452 81 10446 10443 10449 81 10446 10443 10452 81 10440 10434 10443 82 10437 10434 10440 77 10437 10434 10443 82 10434 10443 10446 80 10434 10443 10449 80 10434 10443 10452 80 10431 10425 10434 105 10428 10425 10431 102 10428 10425 10434 105 10425 10434 10437 110 10425 10434 10440 110 10422 10416 10425 105 10419 10416 10422 102 10419 10416 10425 105 10416 10425 10428 105 10416 10425 10431 105 10413 10407 10416 105 10410 10407 10413 102 10410 10407 10416 105 10407 10416 10419 105 10407 10416 10422 105 10404 10401 10407 6 10404 10401 10455 85 10401 10407 10410 105 10401 10407 10413 105 10398 10395 10401 86 10395 10401 10404 87 10503 10509 10512 74 10497 10491 10500 102 10494 10491 10497 102 10494 10491 10500 102 10485 10479 10488 102 10482 10479 10485 102 10482 10479 10488 102 10476 10473 10479 105 10476 10473 10491 105 10473 10479 10482 105 10473 10479 10485 105 10473 10479 10488 105 10473 10491 10494 105 10473 10491 10497 105 10473 10491 10500 105 10470 10467 10473 6 10470 10467 10503 85 10467 10473 10476 105 10464 10461 10467 86 10461 10467 10470 87 10524 10530 10533 74 10521 10515 10524 85 10518 10515 10521 42 10518 10515 10524 85 10512 10509 10515 86 10509 10515 10518 87 10509 10515 10521 87 10566 10572 10575 74 10560 10557 10563 115 10551 10557 10560 74 10551 10557 10563 74 10548 10542 10551 113 10545 10542 10548 102 10545 10542 10551 113 10539 10536 10542 6 10539 10536 10566 85 10536 10542 10545 105 10536 10542 10548 105 10533 10530 10536 86 10530 10536 10539 87 10617 10623 10626 74 10608 10605 10611 90 10605 10611 10614 91 10602 10599 10605 92 10599 10605 10608 93 10596 10599 10602 96 10593 10611 10614 100 10590 10584 10593 101 10587 10584 10590 102 10587 10584 10593 101 10581 10578 10584 6 10581 10578 10617 85 10578 10584 10587 105 10578 10584 10590 105 10575 10572 10578 86 10572 10578 10581 87 10659 10665 10668 74 10647 10641 10650 102 10644 10641 10647 102 10644 10641 10650 102 10638 10635 10641 6 10638 10635 10653 3 10635 10641 10644 105 10635 10641 10647 105 10635 10641 10650 105 10635 10653 10656 5 10632 10629 10635 6 10632 10629 10659 85 10629 10635 10638 6 10626 10623 10629 86 10623 10629 10632 87 10689 10695 10698 74 10683 10677 10686 102 10680 10677 10683 102 10680 10677 10686 102 10674 10671 10677 6 10674 10671 10689 85 10671 10677 10680 105 10671 10677 10683 105 10671 10677 10686 105 10668 10665 10671 86 10665 10671 10674 87 10734 10740 10743 74 10722 10716 10725 113 10719 10716 10722 102 10719 10716 10725 113 10713 10707 10716 105 10710 10707 10713 102 10710 10707 10716 105 10707 10716 10719 105 10707 10716 10722 105 10704 10701 10707 6 10704 10701 10734 85 10701 10707 10710 105 10701 10707 10713 105 10698 10695 10701 86 10695 10701 10704 87 10755 10761 10764 74 10752 10746 10755 85 10749 10746 10752 42 10749 10746 10755 85 10743 10740 10746 86 10740 10746 10749 87 10740 10746 10752 87 10797 10803 10806 74 10785 10779 10788 102 10782 10779 10785 102 10782 10779 10788 102 10776 10773 10779 6 10776 10773 10791 3 10773 10779 10782 105 10773 10779 10785 105 10773 10779 10788 105 10773 10791 10794 5 10770 10767 10773 6 10770 10767 10797 85 10767 10773 10776 6 10764 10761 10767 86 10761 10767 10770 87 10818 10824 10827 74 10815 10809 10818 85 10812 10809 10815 42 10812 10809 10818 85 10806 10803 10809 86 10803 10809 10812 87 10803 10809 10815 87 10860 10866 10869 74 10848 10842 10851 102 10845 10842 10848 102 10845 10842 10851 102 10839 10836 10842 6 10839 10836 10854 3 10836 10842 10845 105 10836 10842 10848 105 10836 10842 10851 105 10836 10854 10857 5 10833 10830 10836 6 10833 10830 10860 85 10830 10836 10839 6 10827 10824 10830 86 10824 10830 10833 87 10902 10908 10911 74 10896 10893 10899 115 10887 10893 10896 74 10887 10893 10899 74 10884 10878 10887 113 10881 10878 10884 102 10881 10878 10887 113 10875 10872 10878 6 10875 10872 10902 85 10872 10878 10881 105 10872 10878 10884 105 10869 10866 10872 86 10866 10872 10875 87 10968 10974 10977 74 10962 10956 10965 81 10959 10956 10962 81 10959 10956 10965 81 10953 10947 10956 82 10950 10947 10953 77 10950 10947 10956 82 10947 10956 10959 80 10947 10956 10962 80 10947 10956 10965 80 10944 10938 10947 105 10941 10938 10944 102 10941 10938 10947 105 10938 10947 10950 110 10938 10947 10953 110 10935 10929 10938 105 10932 10929 10935 102 10932 10929 10938 105 10929 10938 10941 105 10929 10938 10944 105 10926 10920 10929 105 10923 10920 10926 102 10923 10920 10929 105 10920 10929 10932 105 10920 10929 10935 105 10917 10914 10920 6 10917 10914 10968 85 10914 10920 10923 105 10914 10920 10926 105 10911 10908 10914 86 10908 10914 10917 87 11034 11040 11043 74 11028 11022 11031 81 11025 11022 11028 81 11025 11022 11031 81 11019 11013 11022 82 11016 11013 11019 77 11016 11013 11022 82 11013 11022 11025 80 11013 11022 11028 80 11013 11022 11031 80 11010 11004 11013 105 11007 11004 11010 102 11007 11004 11013 105 11004 11013 11016 110 11004 11013 11019 110 11001 10995 11004 105 10998 10995 11001 102 10998 10995 11004 105 10995 11004 11007 105 10995 11004 11010 105 10992 10986 10995 105 10989 10986 10992 102 10989 10986 10995 105 10986 10995 10998 105 10986 10995 11001 105 10983 10980 10986 6 10983 10980 11034 85 10980 10986 10989 105 10980 10986 10992 105 10977 10974 10980 86 10974 10980 10983 87 11082 11088 11091 74 11076 11070 11079 102 11073 11070 11076 102 11073 11070 11079 102 11064 11058 11067 102 11061 11058 11064 102 11061 11058 11067 102 11055 11052 11058 105 11055 11052 11070 105 11052 11058 11061 105 11052 11058 11064 105 11052 11058 11067 105 11052 11070 11073 105 11052 11070 11076 105 11052 11070 11079 105 11049 11046 11052 6 11049 11046 11082 85 11046 11052 11055 105 11043 11040 11046 86 11040 11046 11049 87 11112 11118 11121 74 11106 11100 11109 102 11103 11100 11106 102 11103 11100 11109 102 11097 11094 11100 6 11097 11094 11112 85 11094 11100 11103 105 11094 11100 11106 105 11094 11100 11109 105 11091 11088 11094 86 11088 11094 11097 87 11178 11184 11187 74 11172 11166 11175 81 11169 11166 11172 81 11169 11166 11175 81 11163 11157 11166 82 11160 11157 11163 77 11160 11157 11166 82 11157 11166 11169 80 11157 11166 11172 80 11157 11166 11175 80 11154 11148 11157 105 11151 11148 11154 102 11151 11148 11157 105 11148 11157 11160 110 11148 11157 11163 110 11145 11139 11148 105 11142 11139 11145 102 11142 11139 11148 105 11139 11148 11151 105 11139 11148 11154 105 11136 11130 11139 105 11133 11130 11136 102 11133 11130 11139 105 11130 11139 11142 105 11130 11139 11145 105 11127 11124 11130 6 11127 11124 11178 85 11124 11130 11133 105 11124 11130 11136 105 11121 11118 11124 86 11118 11124 11127 87 11250 11256 11259 74 11244 11241 11247 10 11235 11232 11238 10 11229 11232 11235 12 11229 11232 11238 12 11229 11241 11244 12 11229 11241 11247 12 11226 11223 11229 12 11220 11214 11223 122 11217 11214 11220 42 11217 11214 11223 122 11214 11223 11226 123 11211 11205 11214 105 11208 11205 11211 102 11208 11205 11214 105 11205 11214 11217 6 11205 11214 11220 6 11202 11196 11205 105 11199 11196 11202 102 11199 11196 11205 105 11196 11205 11208 105 11196 11205 11211 105 11193 11190 11196 6 11193 11190 11250 85 11190 11196 11199 105 11190 11196 11202 105 11187 11184 11190 86 11184 11190 11193 87 11292 11298 11301 74 11286 11283 11289 115 11277 11283 11286 74 11277 11283 11289 74 11274 11268 11277 113 11271 11268 11274 102 11271 11268 11277 113 11265 11262 11268 6 11265 11262 11292 85 11262 11268 11271 105 11262 11268 11274 105 11259 11256 11262 86 11256 11262 11265 87 11322 11328 11331 74 11316 11310 11319 102 11313 11310 11316 102 11313 11310 11319 102 11307 11304 11310 6 11307 11304 11322 85 11304 11310 11313 105 11304 11310 11316 105 11304 11310 11319 105 11301 11298 11304 86 11298 11304 11307 87 11352 11358 11361 74 11346 11340 11349 102 11343 11340 11346 102 11343 11340 11349 102 11337 11334 11340 6 11337 11334 11352 85 11334 11340 11343 105 11334 11340 11346 105 11334 11340 11349 105 11331 11328 11334 86 11328 11334 11337 87 11397 11403 11406 74 11385 11379 11388 113 11382 11379 11385 102 11382 11379 11388 113 11376 11370 11379 105 11373 11370 11376 102 11373 11370 11379 105 11370 11379 11382 105 11370 11379 11385 105 11367 11364 11370 6 11367 11364 11397 85 11364 11370 11373 105 11364 11370 11376 105 11361 11358 11364 86 11358 11364 11367 87 11439 11445 11448 74 11433 11430 11436 115 11424 11430 11433 74 11424 11430 11436 74 11421 11415 11424 113 11418 11415 11421 102 11418 11415 11424 113 11412 11409 11415 6 11412 11409 11439 85 11409 11415 11418 105 11409 11415 11421 105 11406 11403 11409 86 11403 11409 11412 87 11490 11496 11499 74 11484 11478 11487 42 11481 11478 11484 42 11481 11478 11487 42 11475 11478 11481 107 11475 11478 11484 107 11475 11478 11487 107 11472 11466 11475 107 11469 11466 11472 42 11469 11466 11475 107 11463 11457 11466 105 11460 11457 11463 102 11460 11457 11466 105 11457 11466 11469 6 11457 11466 11472 6 11454 11451 11457 6 11454 11451 11490 85 11451 11457 11460 105 11451 11457 11463 105 11448 11445 11451 86 11445 11451 11454 87 11547 11553 11556 74 11541 11535 11544 102 11538 11535 11541 102 11538 11535 11544 102 11529 11523 11532 102 11526 11523 11529 102 11526 11523 11532 102 11520 11517 11523 105 11520 11517 11535 105 11517 11523 11526 105 11517 11523 11529 105 11517 11523 11532 105 11517 11535 11538 105 11517 11535 11541 105 11517 11535 11544 105 11514 11508 11517 105 11511 11508 11514 102 11511 11508 11517 105 11508 11517 11520 105 11505 11502 11508 6 11505 11502 11547 85 11502 11508 11511 105 11502 11508 11514 105 11499 11496 11502 86 11496 11502 11505 87 11592 11598 11601 74 11580 11574 11583 113 11577 11574 11580 102 11577 11574 11583 113 11571 11565 11574 105 11568 11565 11571 102 11568 11565 11574 105 11565 11574 11577 105 11565 11574 11580 105 11562 11559 11565 6 11562 11559 11592 85 11559 11565 11568 105 11559 11565 11571 105 11556 11553 11559 86 11553 11559 11562 87 11649 11655 11658 74 11643 11637 11646 102 11640 11637 11643 102 11640 11637 11646 102 11634 11628 11637 105 11631 11628 11634 102 11631 11628 11637 105 11628 11637 11640 105 11628 11637 11643 105 11628 11637 11646 105 11622 11616 11625 102 11619 11616 11622 102 11619 11616 11625 102 11613 11610 11616 105 11613 11610 11628 105 11610 11616 11619 105 11610 11616 11622 105 11610 11616 11625 105 11610 11628 11631 105 11610 11628 11634 105 11607 11604 11610 6 11607 11604 11649 85 11604 11610 11613 105 11601 11598 11604 86 11598 11604 11607 87 11706 11712 11715 74 11700 11694 11703 102 11697 11694 11700 102 11697 11694 11703 102 11688 11682 11691 102 11685 11682 11688 102 11685 11682 11691 102 11679 11676 11682 105 11679 11676 11694 105 11676 11682 11685 105 11676 11682 11688 105 11676 11682 11691 105 11676 11694 11697 105 11676 11694 11700 105 11676 11694 11703 105 11673 11667 11676 105 11670 11667 11673 102 11670 11667 11676 105 11667 11676 11679 105 11664 11661 11667 6 11664 11661 11706 85 11661 11667 11670 105 11661 11667 11673 105 11658 11655 11661 86 11655 11661 11664 87 11727 11733 11736 74 11724 11718 11727 85 11721 11718 11724 42 11721 11718 11727 85 11715 11712 11718 86 11712 11718 11721 87 11712 11718 11724 87 11787 11793 11796 74 11778 11775 11781 116 11775 11781 11784 116 11772 11769 11775 116 11769 11775 11778 116 11766 11763 11769 116 11763 11769 11772 116 11760 11757 11763 116 11757 11763 11766 116 11754 11757 11760 116 11754 11781 11784 116 11751 11745 11754 118 11748 11745 11751 102 11748 11745 11754 118 11742 11739 11745 6 11742 11739 11787 85 11739 11745 11748 105 11739 11745 11751 105 11736 11733 11739 86 11733 11739 11742 87 11847 11841 11850 81 11844 11841 11847 81 11844 11841 11850 81 11838 11832 11841 82 11835 11832 11838 77 11835 11832 11841 82 11832 11841 11844 80 11832 11841 11847 80 11832 11841 11850 80 11829 11823 11832 105 11826 11823 11829 102 11826 11823 11832 105 11823 11832 11835 110 11823 11832 11838 110 11820 11814 11823 105 11817 11814 11820 102 11817 11814 11823 105 11814 11823 11826 105 11814 11823 11829 105 11811 11805 11814 105 11808 11805 11811 102 11808 11805 11814 105 11805 11814 11817 105 11805 11814 11820 105 11802 11799 11805 6 11802 11799 11853 85 11799 11805 11808 105 11799 11805 11811 105 11796 11793 11799 86 11793 11799 11802 87 %FLAG ANGLES_WITHOUT_HYDROGEN %FORMAT(10I8) 93 96 99 1 93 96 102 1 93 96 105 2 81 75 93 4 75 81 87 8 75 93 96 9 60 57 69 11 57 69 72 13 51 57 60 15 51 57 69 16 48 45 51 17 45 42 72 18 45 51 57 20 42 45 48 21 42 45 51 22 42 72 69 23 39 42 45 24 39 42 72 25 33 30 72 27 33 39 42 28 30 24 81 29 30 33 39 31 30 72 42 32 30 72 69 33 24 30 33 36 24 30 72 37 24 81 75 38 24 81 87 8 21 15 75 4 21 24 30 40 21 24 81 4 15 21 24 41 15 75 81 38 15 75 93 4 6 15 21 4 6 15 75 38 3 6 15 8 195 198 201 1 195 198 204 1 195 198 207 2 183 177 195 4 177 183 189 8 177 195 198 9 162 159 171 11 159 171 174 13 153 159 162 15 153 159 171 16 150 147 153 17 147 144 174 18 147 153 159 20 144 147 150 21 144 147 153 22 144 174 171 23 141 144 147 24 141 144 174 25 135 132 174 27 135 141 144 28 132 126 183 29 132 135 141 31 132 174 144 32 132 174 171 33 126 132 135 36 126 132 174 37 126 183 177 38 126 183 189 8 123 117 177 4 123 126 132 40 123 126 183 4 117 123 126 41 117 177 183 38 117 177 195 4 108 117 123 4 108 117 177 38 105 108 117 4 102 96 105 1 99 96 102 43 99 96 105 1 96 105 108 9 288 291 294 1 288 291 297 1 288 291 300 2 276 270 288 4 270 276 282 8 270 288 291 9 261 264 267 44 252 249 261 11 249 261 264 45 243 249 252 47 243 249 261 48 237 234 264 50 237 243 249 52 234 228 276 29 234 237 243 54 234 264 261 55 234 264 267 56 228 234 237 57 228 234 264 58 228 276 270 38 228 276 282 8 225 219 270 4 225 228 234 40 225 228 276 4 219 225 228 41 219 270 276 38 219 270 288 4 210 219 225 4 210 219 270 38 207 210 219 4 204 198 207 1 201 198 204 43 201 198 207 1 198 207 210 9 387 390 393 1 387 390 396 1 387 390 399 2 375 369 387 4 369 375 381 8 369 387 390 9 357 363 366 60 354 357 363 61 345 342 354 11 342 339 366 62 342 354 357 63 339 342 345 64 339 342 354 65 339 366 363 23 336 339 342 66 336 339 366 25 330 327 366 27 330 336 339 28 327 321 375 29 327 330 336 31 327 366 339 32 327 366 363 33 321 327 330 36 321 327 366 37 321 375 369 38 321 375 381 8 318 312 369 4 318 321 327 40 318 321 375 4 312 318 321 41 312 369 375 38 312 369 387 4 303 312 318 4 303 312 369 38 300 303 312 4 297 291 300 1 294 291 297 43 294 291 300 1 291 300 303 9 489 492 495 1 489 492 498 1 489 492 501 2 477 471 489 4 471 477 483 8 471 489 492 9 456 453 465 11 453 465 468 13 447 453 456 15 447 453 465 16 444 441 447 17 441 438 468 18 441 447 453 20 438 441 444 21 438 441 447 22 438 468 465 23 435 438 441 24 435 438 468 25 429 426 468 27 429 435 438 28 426 420 477 29 426 429 435 31 426 468 438 32 426 468 465 33 420 426 429 36 420 426 468 37 420 477 471 38 420 477 483 8 417 411 471 4 417 420 426 40 417 420 477 4 411 417 420 41 411 471 477 38 411 471 489 4 402 411 417 4 402 411 471 38 399 402 411 4 396 390 399 1 393 390 396 43 393 390 399 1 390 399 402 9 588 591 594 1 588 591 597 1 588 591 600 2 576 570 588 4 570 576 582 8 570 588 591 9 558 564 567 60 555 558 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79 8280 8286 8295 89 8349 8346 8352 73 8346 8352 8358 75 8334 8331 8337 73 8322 8331 8334 78 8322 8331 8337 79 8313 8307 8346 84 8313 8322 8331 84 8307 8313 8322 38 8307 8346 8349 78 8307 8346 8352 79 8301 8307 8313 88 8301 8307 8346 89 8370 8367 8373 73 8367 8373 8379 75 8358 8367 8370 78 8358 8367 8373 79 8352 8358 8367 89 8427 8424 8430 73 8424 8430 8436 75 8391 8385 8403 38 8385 8379 8424 84 8385 8403 8412 38 8379 8385 8391 38 8379 8385 8403 38 8379 8424 8427 78 8379 8424 8430 79 8373 8379 8385 88 8373 8379 8424 89 8469 8466 8472 73 8466 8472 8475 75 8466 8472 8502 75 8454 8451 8457 73 8442 8436 8466 84 8442 8451 8454 78 8442 8451 8457 79 8436 8442 8451 84 8436 8466 8469 78 8436 8466 8472 79 8430 8436 8442 88 8430 8436 8466 89 8511 8508 8514 73 8508 8514 8520 75 8502 8508 8511 78 8502 8508 8514 79 8493 8502 8508 84 8484 8493 8502 38 8475 8472 8502 126 8475 8484 8493 38 8472 8475 8484 88 8472 8502 8493 88 8472 8502 8508 89 8568 8565 8571 73 8565 8571 8577 75 8532 8526 8544 38 8526 8520 8565 84 8526 8544 8553 38 8520 8526 8532 38 8520 8526 8544 38 8520 8565 8568 78 8520 8565 8571 79 8514 8520 8526 88 8514 8520 8565 89 8601 8598 8604 73 8598 8604 8610 75 8583 8577 8598 84 8577 8583 8592 8 8577 8598 8601 78 8577 8598 8604 79 8571 8577 8583 88 8571 8577 8598 89 8673 8670 8676 73 8670 8676 8682 75 8652 8649 8661 121 8643 8649 8652 121 8643 8649 8661 121 8634 8643 8649 124 8625 8634 8643 125 8616 8610 8670 84 8616 8625 8634 38 8610 8616 8625 38 8610 8670 8673 78 8610 8670 8676 79 8604 8610 8616 88 8604 8610 8670 89 8730 8727 8733 73 8727 8733 8739 75 8703 8697 8715 38 8688 8682 8727 84 8688 8697 8703 38 8688 8697 8715 38 8682 8688 8697 38 8682 8727 8730 78 8682 8727 8733 79 8676 8682 8688 88 8676 8682 8727 89 8760 8757 8763 73 8757 8763 8769 75 8745 8739 8757 84 8739 8757 8760 78 8739 8757 8763 79 8733 8739 8745 88 8733 8739 8757 89 8811 8808 8814 73 8808 8814 8820 75 8796 8793 8799 73 8784 8793 8796 78 8784 8793 8799 79 8775 8769 8808 84 8775 8784 8793 84 8769 8775 8784 38 8769 8808 8811 78 8769 8808 8814 79 8763 8769 8775 88 8763 8769 8808 89 8868 8865 8871 73 8865 8871 8877 75 8832 8826 8844 38 8826 8820 8865 84 8826 8844 8853 38 8820 8826 8832 38 8820 8826 8844 38 8820 8865 8868 78 8820 8865 8871 79 8814 8820 8826 88 8814 8820 8865 89 8919 8916 8922 73 8916 8922 8928 75 8904 8901 8907 73 8892 8901 8904 78 8892 8901 8907 79 8883 8877 8916 84 8883 8892 8901 84 8877 8883 8892 38 8877 8916 8919 78 8877 8916 8922 79 8871 8877 8883 88 8871 8877 8916 89 8970 8967 8973 73 8967 8973 8979 75 8955 8952 8958 73 8943 8952 8955 78 8943 8952 8958 79 8934 8928 8967 84 8934 8943 8952 84 8928 8934 8943 38 8928 8967 8970 78 8928 8967 8973 79 8922 8928 8934 88 8922 8928 8967 89 9000 8997 9003 73 8997 9003 9009 75 8985 8979 8997 84 8979 8997 9000 78 8979 8997 9003 79 8973 8979 8985 88 8973 8979 8997 89 9066 9063 9069 73 9063 9069 9075 75 9033 9042 9051 111 9024 9033 9042 38 9015 9009 9063 84 9015 9024 9033 38 9009 9015 9024 38 9009 9063 9066 78 9009 9063 9069 79 9003 9009 9015 88 9003 9009 9063 89 9132 9129 9135 73 9129 9135 9141 75 9099 9108 9117 111 9090 9099 9108 38 9081 9075 9129 84 9081 9090 9099 38 9075 9081 9090 38 9075 9129 9132 78 9075 9129 9135 79 9069 9075 9081 88 9069 9075 9129 89 9177 9174 9180 73 9174 9180 9186 75 9168 9165 9171 112 9156 9165 9168 114 9156 9165 9171 114 9147 9141 9174 84 9147 9156 9165 84 9141 9147 9156 38 9141 9174 9177 78 9141 9174 9180 79 9135 9141 9147 88 9135 9141 9174 89 9243 9240 9246 73 9240 9246 9252 75 9210 9219 9228 111 9201 9210 9219 38 9192 9186 9240 84 9192 9201 9210 38 9186 9192 9201 38 9186 9240 9243 78 9186 9240 9246 79 9180 9186 9192 88 9180 9186 9240 89 9288 9285 9291 73 9285 9291 9294 75 9285 9291 9321 75 9279 9276 9282 112 9267 9276 9279 114 9267 9276 9282 114 9258 9252 9285 84 9258 9267 9276 84 9252 9258 9267 38 9252 9285 9288 78 9252 9285 9291 79 9246 9252 9258 88 9246 9252 9285 89 9330 9327 9333 73 9327 9333 9339 75 9321 9327 9330 78 9321 9327 9333 79 9312 9321 9327 84 9303 9312 9321 38 9294 9291 9321 126 9294 9303 9312 38 9291 9294 9303 88 9291 9321 9312 88 9291 9321 9327 89 9375 9372 9378 73 9372 9378 9384 75 9366 9363 9369 112 9354 9363 9366 114 9354 9363 9369 114 9345 9339 9372 84 9345 9354 9363 84 9339 9345 9354 38 9339 9372 9375 78 9339 9372 9378 79 9333 9339 9345 88 9333 9339 9372 89 9438 9435 9441 73 9435 9441 9447 75 9417 9414 9423 127 9414 9423 9429 130 9408 9414 9417 127 9408 9414 9423 131 9402 9399 9429 117 9402 9408 9414 130 9399 9402 9408 117 9399 9429 9423 117 9390 9384 9435 84 9390 9399 9402 119 9390 9399 9429 119 9384 9390 9399 120 9384 9435 9438 78 9384 9435 9441 79 9378 9384 9390 88 9378 9384 9435 89 9480 9477 9483 73 9477 9483 9489 75 9459 9453 9471 8 9453 9447 9477 84 9447 9453 9459 38 9447 9453 9471 8 9447 9477 9480 78 9447 9477 9483 79 9441 9447 9453 88 9441 9447 9477 89 9537 9534 9540 73 9534 9540 9546 75 9510 9504 9522 38 9495 9489 9534 84 9495 9504 9510 38 9495 9504 9522 38 9489 9495 9504 38 9489 9534 9537 78 9489 9534 9540 79 9483 9489 9495 88 9483 9489 9534 89 9594 9591 9597 73 9591 9597 9603 75 9567 9561 9579 38 9552 9546 9591 84 9552 9561 9567 38 9552 9561 9579 38 9546 9552 9561 38 9546 9591 9594 78 9546 9591 9597 79 9540 9546 9552 88 9540 9546 9591 89 9636 9633 9639 73 9633 9639 9645 75 9615 9609 9627 8 9609 9603 9633 84 9603 9609 9615 38 9603 9609 9627 8 9603 9633 9636 78 9603 9633 9639 79 9597 9603 9609 88 9597 9603 9633 89 9681 9678 9684 73 9678 9684 9690 75 9672 9669 9675 112 9660 9669 9672 114 9660 9669 9675 114 9651 9645 9678 84 9651 9660 9669 84 9645 9651 9660 38 9645 9678 9681 78 9645 9678 9684 79 9639 9645 9651 88 9639 9645 9678 89 9753 9750 9756 73 9750 9756 9762 75 9732 9729 9741 121 9723 9729 9732 121 9723 9729 9741 121 9714 9723 9729 124 9705 9714 9723 125 9696 9690 9750 84 9696 9705 9714 38 9690 9696 9705 38 9690 9750 9753 78 9690 9750 9756 79 9684 9690 9696 88 9684 9690 9750 89 9774 9771 9777 73 9771 9777 9783 75 9762 9771 9774 78 9762 9771 9777 79 9756 9762 9771 89 9831 9828 9834 73 9828 9834 9837 75 9828 9834 9864 75 9804 9798 9816 38 9789 9783 9828 84 9789 9798 9804 38 9789 9798 9816 38 9783 9789 9798 38 9783 9828 9831 78 9783 9828 9834 79 9777 9783 9789 88 9777 9783 9828 89 9873 9870 9876 73 9870 9876 9882 75 9864 9870 9873 78 9864 9870 9876 79 9855 9864 9870 84 9846 9855 9864 38 9837 9834 9864 126 9837 9846 9855 38 9834 9837 9846 88 9834 9864 9855 88 9834 9864 9870 89 9945 9942 9948 73 9942 9948 9954 75 9924 9921 9933 121 9915 9921 9924 121 9915 9921 9933 121 9906 9915 9921 124 9897 9906 9915 125 9888 9882 9942 84 9888 9897 9906 38 9882 9888 9897 38 9882 9942 9945 78 9882 9942 9948 79 9876 9882 9888 88 9876 9882 9942 89 10017 10014 10020 73 10014 10020 10026 75 9996 9993 10005 121 9987 9993 9996 121 9987 9993 10005 121 9978 9987 9993 124 9969 9978 9987 125 9960 9954 10014 84 9960 9969 9978 38 9954 9960 9969 38 9954 10014 10017 78 9954 10014 10020 79 9948 9954 9960 88 9948 9954 10014 89 10089 10086 10092 73 10086 10092 10098 75 10068 10065 10077 121 10059 10065 10068 121 10059 10065 10077 121 10050 10059 10065 124 10041 10050 10059 125 10032 10026 10086 84 10032 10041 10050 38 10026 10032 10041 38 10026 10086 10089 78 10026 10086 10092 79 10020 10026 10032 88 10020 10026 10086 89 10134 10131 10137 73 10131 10137 10143 75 10125 10122 10128 112 10113 10122 10125 114 10113 10122 10128 114 10104 10098 10131 84 10104 10113 10122 84 10098 10104 10113 38 10098 10131 10134 78 10098 10131 10137 79 10092 10098 10104 88 10092 10098 10131 89 10194 10191 10197 73 10191 10197 10203 75 10173 10179 10185 117 10167 10173 10179 117 10161 10158 10185 117 10161 10167 10173 117 10158 10161 10167 117 10158 10185 10179 117 10149 10143 10191 84 10149 10158 10161 119 10149 10158 10185 119 10143 10149 10158 120 10143 10191 10194 78 10143 10191 10197 79 10137 10143 10149 88 10137 10143 10191 89 10242 10239 10245 73 10239 10245 10251 75 10215 10209 10227 38 10209 10203 10239 84 10203 10209 10215 38 10203 10209 10227 38 10203 10239 10242 78 10203 10239 10245 79 10197 10203 10209 88 10197 10203 10239 89 10293 10290 10296 73 10290 10296 10302 75 10266 10275 10278 108 10257 10251 10290 84 10257 10266 10275 109 10251 10257 10266 38 10251 10290 10293 78 10251 10290 10296 79 10245 10251 10257 88 10245 10251 10290 89 10344 10341 10347 73 10341 10347 10353 75 10329 10326 10332 73 10317 10326 10329 78 10317 10326 10332 79 10308 10302 10341 84 10308 10317 10326 84 10302 10308 10317 38 10302 10341 10344 78 10302 10341 10347 79 10296 10302 10308 88 10296 10302 10341 89 10392 10389 10395 73 10389 10395 10401 75 10365 10359 10377 38 10359 10353 10389 84 10353 10359 10365 38 10353 10359 10377 38 10353 10389 10392 78 10353 10389 10395 79 10347 10353 10359 88 10347 10353 10389 89 10458 10455 10461 73 10455 10461 10467 75 10425 10434 10443 111 10416 10425 10434 38 10407 10401 10455 84 10407 10416 10425 38 10401 10407 10416 38 10401 10455 10458 78 10401 10455 10461 79 10395 10401 10407 88 10395 10401 10455 89 10506 10503 10509 73 10503 10509 10515 75 10479 10473 10491 38 10473 10467 10503 84 10467 10473 10479 38 10467 10473 10491 38 10467 10503 10506 78 10467 10503 10509 79 10461 10467 10473 88 10461 10467 10503 89 10527 10524 10530 73 10524 10530 10536 75 10515 10524 10527 78 10515 10524 10530 79 10509 10515 10524 89 10569 10566 10572 73 10566 10572 10578 75 10554 10551 10557 73 10542 10536 10566 84 10542 10551 10554 78 10542 10551 10557 79 10536 10542 10551 84 10536 10566 10569 78 10536 10566 10572 79 10530 10536 10542 88 10530 10536 10566 89 10620 10617 10623 73 10617 10623 10629 75 10599 10605 10611 94 10596 10593 10611 95 10596 10599 10605 97 10593 10596 10599 98 10593 10611 10605 99 10584 10578 10617 84 10584 10593 10596 103 10584 10593 10611 104 10578 10584 10593 106 10578 10617 10620 78 10578 10617 10623 79 10572 10578 10584 88 10572 10578 10617 89 10662 10659 10665 73 10659 10665 10671 75 10641 10635 10653 8 10635 10629 10659 84 10629 10635 10641 38 10629 10635 10653 8 10629 10659 10662 78 10629 10659 10665 79 10623 10629 10635 88 10623 10629 10659 89 10692 10689 10695 73 10689 10695 10701 75 10677 10671 10689 84 10671 10689 10692 78 10671 10689 10695 79 10665 10671 10677 88 10665 10671 10689 89 10737 10734 10740 73 10734 10740 10746 75 10728 10725 10731 112 10716 10725 10728 114 10716 10725 10731 114 10707 10701 10734 84 10707 10716 10725 84 10701 10707 10716 38 10701 10734 10737 78 10701 10734 10740 79 10695 10701 10707 88 10695 10701 10734 89 10758 10755 10761 73 10755 10761 10767 75 10746 10755 10758 78 10746 10755 10761 79 10740 10746 10755 89 10800 10797 10803 73 10797 10803 10809 75 10779 10773 10791 8 10773 10767 10797 84 10767 10773 10779 38 10767 10773 10791 8 10767 10797 10800 78 10767 10797 10803 79 10761 10767 10773 88 10761 10767 10797 89 10821 10818 10824 73 10818 10824 10830 75 10809 10818 10821 78 10809 10818 10824 79 10803 10809 10818 89 10863 10860 10866 73 10860 10866 10872 75 10842 10836 10854 8 10836 10830 10860 84 10830 10836 10842 38 10830 10836 10854 8 10830 10860 10863 78 10830 10860 10866 79 10824 10830 10836 88 10824 10830 10860 89 10905 10902 10908 73 10902 10908 10914 75 10890 10887 10893 73 10878 10872 10902 84 10878 10887 10890 78 10878 10887 10893 79 10872 10878 10887 84 10872 10902 10905 78 10872 10902 10908 79 10866 10872 10878 88 10866 10872 10902 89 10971 10968 10974 73 10968 10974 10980 75 10938 10947 10956 111 10929 10938 10947 38 10920 10914 10968 84 10920 10929 10938 38 10914 10920 10929 38 10914 10968 10971 78 10914 10968 10974 79 10908 10914 10920 88 10908 10914 10968 89 11037 11034 11040 73 11034 11040 11046 75 11004 11013 11022 111 10995 11004 11013 38 10986 10980 11034 84 10986 10995 11004 38 10980 10986 10995 38 10980 11034 11037 78 10980 11034 11040 79 10974 10980 10986 88 10974 10980 11034 89 11085 11082 11088 73 11082 11088 11094 75 11058 11052 11070 38 11052 11046 11082 84 11046 11052 11058 38 11046 11052 11070 38 11046 11082 11085 78 11046 11082 11088 79 11040 11046 11052 88 11040 11046 11082 89 11115 11112 11118 73 11112 11118 11124 75 11100 11094 11112 84 11094 11112 11115 78 11094 11112 11118 79 11088 11094 11100 88 11088 11094 11112 89 11181 11178 11184 73 11178 11184 11190 75 11148 11157 11166 111 11139 11148 11157 38 11130 11124 11178 84 11130 11139 11148 38 11124 11130 11139 38 11124 11178 11181 78 11124 11178 11184 79 11118 11124 11130 88 11118 11124 11178 89 11253 11250 11256 73 11250 11256 11262 75 11232 11229 11241 121 11223 11229 11232 121 11223 11229 11241 121 11214 11223 11229 124 11205 11214 11223 125 11196 11190 11250 84 11196 11205 11214 38 11190 11196 11205 38 11190 11250 11253 78 11190 11250 11256 79 11184 11190 11196 88 11184 11190 11250 89 11295 11292 11298 73 11292 11298 11304 75 11280 11277 11283 73 11268 11262 11292 84 11268 11277 11280 78 11268 11277 11283 79 11262 11268 11277 84 11262 11292 11295 78 11262 11292 11298 79 11256 11262 11268 88 11256 11262 11292 89 11325 11322 11328 73 11322 11328 11334 75 11310 11304 11322 84 11304 11322 11325 78 11304 11322 11328 79 11298 11304 11310 88 11298 11304 11322 89 11355 11352 11358 73 11352 11358 11364 75 11340 11334 11352 84 11334 11352 11355 78 11334 11352 11358 79 11328 11334 11340 88 11328 11334 11352 89 11400 11397 11403 73 11397 11403 11409 75 11391 11388 11394 112 11379 11388 11391 114 11379 11388 11394 114 11370 11364 11397 84 11370 11379 11388 84 11364 11370 11379 38 11364 11397 11400 78 11364 11397 11403 79 11358 11364 11370 88 11358 11364 11397 89 11442 11439 11445 73 11439 11445 11451 75 11427 11424 11430 73 11415 11409 11439 84 11415 11424 11427 78 11415 11424 11430 79 11409 11415 11424 84 11409 11439 11442 78 11409 11439 11445 79 11403 11409 11415 88 11403 11409 11439 89 11493 11490 11496 73 11490 11496 11502 75 11466 11475 11478 108 11457 11451 11490 84 11457 11466 11475 109 11451 11457 11466 38 11451 11490 11493 78 11451 11490 11496 79 11445 11451 11457 88 11445 11451 11490 89 11550 11547 11553 73 11547 11553 11559 75 11523 11517 11535 38 11508 11502 11547 84 11508 11517 11523 38 11508 11517 11535 38 11502 11508 11517 38 11502 11547 11550 78 11502 11547 11553 79 11496 11502 11508 88 11496 11502 11547 89 11595 11592 11598 73 11592 11598 11604 75 11586 11583 11589 112 11574 11583 11586 114 11574 11583 11589 114 11565 11559 11592 84 11565 11574 11583 84 11559 11565 11574 38 11559 11592 11595 78 11559 11592 11598 79 11553 11559 11565 88 11553 11559 11592 89 11652 11649 11655 73 11649 11655 11661 75 11616 11610 11628 38 11610 11604 11649 84 11610 11628 11637 38 11604 11610 11616 38 11604 11610 11628 38 11604 11649 11652 78 11604 11649 11655 79 11598 11604 11610 88 11598 11604 11649 89 11709 11706 11712 73 11706 11712 11718 75 11682 11676 11694 38 11667 11661 11706 84 11667 11676 11682 38 11667 11676 11694 38 11661 11667 11676 38 11661 11706 11709 78 11661 11706 11712 79 11655 11661 11667 88 11655 11661 11706 89 11730 11727 11733 73 11727 11733 11739 75 11718 11727 11730 78 11718 11727 11733 79 11712 11718 11727 89 11790 11787 11793 73 11787 11793 11799 75 11769 11775 11781 117 11763 11769 11775 117 11757 11754 11781 117 11757 11763 11769 117 11754 11757 11763 117 11754 11781 11775 117 11745 11739 11787 84 11745 11754 11757 119 11745 11754 11781 119 11739 11745 11754 120 11739 11787 11790 78 11739 11787 11793 79 11733 11739 11745 88 11733 11739 11787 89 11856 11853 11859 112 11823 11832 11841 111 11814 11823 11832 38 11805 11799 11853 84 11805 11814 11823 38 11799 11805 11814 38 11799 11853 11856 114 11799 11853 11859 114 11793 11799 11805 88 11793 11799 11853 89 %FLAG DIHEDRALS_INC_HYDROGEN %FORMAT(10I8) 84 81 75 93 5 84 81 -75 93 6 84 81 87 90 7 78 75 81 84 9 78 75 81 87 5 78 75 -81 87 6 78 75 93 96 8 75 81 87 90 5 75 81 -87 90 10 66 60 57 69 12 63 60 57 69 12 54 51 57 60 14 54 51 57 69 14 51 57 60 63 12 51 57 60 66 12 48 45 51 54 16 42 45 51 54 16 36 33 30 72 19 36 33 39 42 20 30 24 81 84 9 27 24 30 33 11 27 24 30 72 11 27 24 81 75 9 27 24 81 84 9 27 24 81 87 9 24 30 33 36 19 24 81 75 78 9 24 81 87 90 5 24 81 -87 90 10 21 15 75 78 5 21 15 -75 78 6 21 24 81 84 5 21 24 -81 84 6 18 15 21 24 8 18 15 75 78 9 18 15 75 81 9 18 15 75 93 5 18 15 -75 93 6 15 21 24 27 8 15 75 81 84 9 12 6 15 18 9 12 6 15 21 5 12 6 -15 21 6 12 6 15 75 9 9 6 15 18 9 9 6 15 21 5 9 6 -15 21 6 9 6 15 75 9 6 15 75 78 9 3 6 15 18 5 3 6 -15 18 6 0 3 6 9 7 0 3 6 12 7 0 3 6 15 5 0 3 -6 15 10 186 183 177 195 5 186 183 -177 195 6 186 183 189 192 7 180 177 183 186 9 180 177 183 189 5 180 177 -183 189 6 180 177 195 198 8 177 183 189 192 5 177 183 -189 192 10 168 162 159 171 12 165 162 159 171 12 156 153 159 162 14 156 153 159 171 14 153 159 162 165 12 153 159 162 168 12 150 147 153 156 16 144 147 153 156 16 138 135 132 174 19 138 135 141 144 20 132 126 183 186 9 129 126 132 135 11 129 126 132 174 11 129 126 183 177 9 129 126 183 186 9 129 126 183 189 9 126 132 135 138 19 126 183 177 180 9 126 183 189 192 5 126 183 -189 192 10 123 117 177 180 5 123 117 -177 180 6 123 126 183 186 5 123 126 -183 186 6 120 117 123 126 8 120 117 177 180 9 120 117 177 183 9 120 117 177 195 5 120 117 -177 195 6 117 123 126 129 8 117 177 183 186 9 114 108 117 120 9 114 108 117 123 5 114 108 -117 123 6 114 108 117 177 9 111 108 117 120 9 111 108 117 123 5 111 108 -117 123 6 111 108 117 177 9 108 117 177 180 9 105 108 117 120 5 105 108 -117 120 6 96 105 108 111 8 96 105 108 114 8 279 276 270 288 5 279 276 -270 288 6 279 276 282 285 7 273 270 276 279 9 273 270 276 282 5 273 270 -276 282 6 273 270 288 291 8 270 276 282 285 5 270 276 -282 285 10 258 252 249 261 12 255 252 249 261 12 246 243 249 252 22 246 243 249 261 22 243 249 252 255 12 243 249 252 258 12 240 237 234 264 31 240 237 243 246 32 240 237 243 249 32 234 228 276 279 9 234 237 243 246 32 231 228 234 237 11 231 228 234 264 11 231 228 276 270 9 231 228 276 279 9 231 228 276 282 9 228 234 237 240 31 228 276 270 273 9 228 276 282 285 5 228 276 -282 285 10 225 219 270 273 5 225 219 -270 273 6 225 228 276 279 5 225 228 -276 279 6 222 219 225 228 8 222 219 270 273 9 222 219 270 276 9 222 219 270 288 5 222 219 -270 288 6 219 225 228 231 8 219 270 276 279 9 216 210 219 222 9 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4179 39 4155 4152 4158 4161 9 4155 4152 4158 4164 9 4155 4152 4158 4167 9 4155 4152 4182 4185 43 4155 4152 -4182 4185 11 4155 4152 -4182 4185 47 4155 4152 4182 4188 11 4152 4182 4188 4191 39 4149 4146 4152 4155 11 4149 4146 4152 4158 11 4149 4146 4152 4182 11 4146 4152 4158 4161 9 4146 4152 4158 4164 9 4239 4245 4248 4251 11 4239 4245 4248 4254 11 4239 4245 4275 4278 11 4224 4215 4209 4227 10 4221 4215 4209 4227 10 4218 4215 4209 4227 10 4215 4209 4227 4230 10 4215 4209 4227 4233 10 4215 4209 4227 4236 10 4212 4209 4215 4218 54 4212 4209 4215 4221 54 4212 4209 4215 4224 54 4212 4209 4227 4230 54 4212 4209 4227 4233 54 4212 4209 4227 4236 54 4206 4200 4194 4239 9 4206 4200 4209 4212 54 4206 4200 4209 4215 10 4206 4200 4209 4227 10 4203 4200 4194 4239 9 4203 4200 4209 4212 54 4203 4200 4209 4215 10 4203 4200 4209 4227 10 4200 4209 4215 4218 10 4200 4209 4215 4221 10 4200 4209 4215 4224 10 4200 4209 4227 4230 10 4200 4209 4227 4233 10 4200 4209 4227 4236 10 4197 4194 4200 4203 9 4197 4194 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4353 4347 4356 4359 43 4353 4347 -4356 4359 11 4353 4347 -4356 4359 47 4353 4347 4356 4362 11 4350 4347 4341 4371 9 4350 4347 4356 4359 43 4350 4347 -4356 4359 11 4350 4347 -4356 4359 47 4350 4347 4356 4362 11 4347 4356 4362 4365 39 4347 4356 4362 4368 39 4344 4341 4347 4350 9 4344 4341 4347 4353 9 4344 4341 4347 4356 9 4344 4341 4371 4374 43 4344 4341 -4371 4374 11 4344 4341 -4371 4374 47 4344 4341 4371 4377 11 4341 4371 4377 4380 39 4338 4335 4341 4344 11 4338 4335 4341 4347 11 4338 4335 4341 4371 11 4335 4341 4347 4350 9 4335 4341 4347 4353 9 4434 4431 4437 4440 38 4434 4431 -4437 4440 39 4431 4437 4443 4446 11 4422 4419 4425 4428 55 4416 4413 4419 4422 55 4416 4413 4419 4425 55 4413 4419 4425 4428 55 4410 4407 4413 4416 55 4410 4407 4413 4419 55 4407 4413 4419 4422 55 4404 4401 4398 4425 55 4404 4401 4407 4410 55 4404 4401 4407 4413 55 4401 4398 4425 4428 55 4401 4407 4413 4416 55 4398 4401 4407 4410 55 4398 4425 4419 4422 55 4395 4389 4383 4431 9 4395 4389 4398 4401 11 4395 4389 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10035 10032 10026 10086 9 10035 10032 10041 10044 54 10035 10032 10041 10047 54 10035 10032 10041 10050 10 10032 10041 10050 10053 9 10032 10041 10050 10056 9 10029 10026 10032 10035 9 10029 10026 10032 10038 9 10029 10026 10032 10041 9 10029 10026 10086 10089 43 10029 10026 -10086 10089 11 10029 10026 -10086 10089 47 10029 10026 10086 10092 11 10026 10032 10041 10044 10 10026 10032 10041 10047 10 10026 10086 10092 10095 39 10023 10020 10026 10029 11 10023 10020 10026 10032 11 10023 10020 10026 10086 11 10020 10026 10032 10035 9 10020 10026 10032 10038 9 10134 10131 10137 10140 38 10134 10131 -10137 10140 39 10131 10137 10143 10146 11 10119 10113 10122 10125 11 10119 10113 10122 10128 11 10116 10113 10122 10125 11 10116 10113 10122 10128 11 10110 10104 10098 10131 9 10110 10104 10113 10116 54 10110 10104 10113 10119 54 10110 10104 10113 10122 9 10107 10104 10098 10131 9 10107 10104 10113 10116 54 10107 10104 10113 10119 54 10107 10104 10113 10122 9 10101 10098 10104 10107 9 10101 10098 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10161 10164 55 10149 10158 10185 10188 55 10146 10143 10149 10152 9 10146 10143 10149 10155 9 10146 10143 10149 10158 9 10146 10143 10191 10194 43 10146 10143 -10191 10194 11 10146 10143 -10191 10194 47 10146 10143 10191 10197 11 10143 10191 10197 10200 39 10140 10137 10143 10146 11 10140 10137 10143 10149 11 10140 10137 10143 10191 11 10137 10143 10149 10152 9 10137 10143 10149 10155 9 10242 10239 10245 10248 38 10242 10239 -10245 10248 39 10239 10245 10251 10254 11 10224 10215 10209 10227 10 10221 10215 10209 10227 10 10218 10215 10209 10227 10 10215 10209 10227 10230 10 10215 10209 10227 10233 10 10215 10209 10227 10236 10 10212 10209 10203 10239 9 10212 10209 10215 10218 54 10212 10209 10215 10221 54 10212 10209 10215 10224 54 10212 10209 10227 10230 54 10212 10209 10227 10233 54 10212 10209 10227 10236 54 10206 10203 10209 10212 9 10206 10203 10209 10215 9 10206 10203 10209 10227 9 10206 10203 10239 10242 43 10206 10203 -10239 10242 11 10206 10203 -10239 10242 47 10206 10203 10239 10245 11 10203 10209 10215 10218 10 10203 10209 10215 10221 10 10203 10209 10215 10224 10 10203 10209 10227 10230 10 10203 10209 10227 10233 10 10203 10209 10227 10236 10 10203 10239 10245 10248 39 10200 10197 10203 10206 11 10200 10197 10203 10209 11 10200 10197 10203 10239 11 10197 10203 10209 10212 9 10293 10290 10296 10299 38 10293 10290 -10296 10299 39 10290 10296 10302 10305 11 10272 10266 10275 10278 53 10269 10266 10275 10278 53 10266 10275 10278 10281 53 10266 10275 10278 10284 53 10266 10275 10278 10287 53 10263 10257 10251 10290 9 10263 10257 10266 10269 9 10263 10257 10266 10272 9 10263 10257 10266 10275 9 10260 10257 10251 10290 9 10260 10257 10266 10269 9 10260 10257 10266 10272 9 10260 10257 10266 10275 9 10254 10251 10257 10260 9 10254 10251 10257 10263 9 10254 10251 10257 10266 9 10254 10251 10290 10293 43 10254 10251 -10290 10293 11 10254 10251 -10290 10293 47 10254 10251 10290 10296 11 10251 10257 10266 10269 9 10251 10257 10266 10272 9 10251 10290 10296 10299 39 10248 10245 10251 10254 11 10248 10245 10251 10257 11 10248 10245 10251 10290 11 10245 10251 10257 10260 9 10245 10251 10257 10263 9 10344 10341 10347 10350 38 10344 10341 -10347 10350 39 10341 10347 10353 10356 11 10329 10326 10332 10335 38 10329 10326 -10332 10335 39 10329 10326 10332 10338 38 10329 10326 -10332 10338 39 10323 10317 10326 10329 43 10323 10317 -10326 10329 11 10323 10317 -10326 10329 47 10323 10317 10326 10332 11 10320 10317 10326 10329 43 10320 10317 -10326 10329 11 10320 10317 -10326 10329 47 10320 10317 10326 10332 11 10317 10326 10332 10335 39 10317 10326 10332 10338 39 10314 10308 10302 10341 9 10314 10308 10317 10320 54 10314 10308 10317 10323 54 10314 10308 10317 10326 9 10311 10308 10302 10341 9 10311 10308 10317 10320 54 10311 10308 10317 10323 54 10311 10308 10317 10326 9 10305 10302 10308 10311 9 10305 10302 10308 10314 9 10305 10302 10308 10317 9 10305 10302 10341 10344 43 10305 10302 -10341 10344 11 10305 10302 -10341 10344 47 10305 10302 10341 10347 11 10302 10308 10317 10320 10 10302 10308 10317 10323 10 10302 10341 10347 10350 39 10299 10296 10302 10305 11 10299 10296 10302 10308 11 10299 10296 10302 10341 11 10296 10302 10308 10311 9 10296 10302 10308 10314 9 10392 10389 10395 10398 38 10392 10389 -10395 10398 39 10389 10395 10401 10404 11 10374 10365 10359 10377 10 10371 10365 10359 10377 10 10368 10365 10359 10377 10 10365 10359 10377 10380 10 10365 10359 10377 10383 10 10365 10359 10377 10386 10 10362 10359 10353 10389 9 10362 10359 10365 10368 54 10362 10359 10365 10371 54 10362 10359 10365 10374 54 10362 10359 10377 10380 54 10362 10359 10377 10383 54 10362 10359 10377 10386 54 10356 10353 10359 10362 9 10356 10353 10359 10365 9 10356 10353 10359 10377 9 10356 10353 10389 10392 43 10356 10353 -10389 10392 11 10356 10353 -10389 10392 47 10356 10353 10389 10395 11 10353 10359 10365 10368 10 10353 10359 10365 10371 10 10353 10359 10365 10374 10 10353 10359 10377 10380 10 10353 10359 10377 10383 10 10353 10359 10377 10386 10 10353 10389 10395 10398 39 10350 10347 10353 10356 11 10350 10347 10353 10359 11 10350 10347 10353 10389 11 10347 10353 10359 10362 9 10458 10455 10461 10464 38 10458 10455 -10461 10464 39 10455 10461 10467 10470 11 10440 10434 10443 10446 9 10440 10434 10443 10449 9 10440 10434 10443 10452 9 10437 10434 10443 10446 9 10437 10434 10443 10449 9 10437 10434 10443 10452 9 10431 10425 10434 10437 9 10431 10425 10434 10440 9 10431 10425 10434 10443 9 10428 10425 10434 10437 9 10428 10425 10434 10440 9 10428 10425 10434 10443 9 10425 10434 10443 10446 9 10425 10434 10443 10449 9 10425 10434 10443 10452 9 10422 10416 10425 10428 54 10422 10416 10425 10431 54 10422 10416 10425 10434 10 10419 10416 10425 10428 54 10419 10416 10425 10431 54 10419 10416 10425 10434 10 10416 10425 10434 10437 9 10416 10425 10434 10440 9 10413 10407 10401 10455 9 10413 10407 10416 10419 54 10413 10407 10416 10422 54 10413 10407 10416 10425 10 10410 10407 10401 10455 9 10410 10407 10416 10419 54 10410 10407 10416 10422 54 10410 10407 10416 10425 10 10407 10416 10425 10428 10 10407 10416 10425 10431 10 10404 10401 10407 10410 9 10404 10401 10407 10413 9 10404 10401 10407 10416 9 10404 10401 10455 10458 43 10404 10401 -10455 10458 11 10404 10401 -10455 10458 47 10404 10401 10455 10461 11 10401 10407 10416 10419 10 10401 10407 10416 10422 10 10401 10455 10461 10464 39 10398 10395 10401 10404 11 10398 10395 10401 10407 11 10398 10395 10401 10455 11 10395 10401 10407 10410 9 10395 10401 10407 10413 9 10506 10503 10509 10512 38 10506 10503 -10509 10512 39 10503 10509 10515 10518 11 10503 10509 10515 10521 11 10488 10479 10473 10491 10 10485 10479 10473 10491 10 10482 10479 10473 10491 10 10479 10473 10491 10494 10 10479 10473 10491 10497 10 10479 10473 10491 10500 10 10476 10473 10467 10503 9 10476 10473 10479 10482 54 10476 10473 10479 10485 54 10476 10473 10479 10488 54 10476 10473 10491 10494 54 10476 10473 10491 10497 54 10476 10473 10491 10500 54 10470 10467 10473 10476 9 10470 10467 10473 10479 9 10470 10467 10473 10491 9 10470 10467 10503 10506 43 10470 10467 -10503 10506 11 10470 10467 -10503 10506 47 10470 10467 10503 10509 11 10467 10473 10479 10482 10 10467 10473 10479 10485 10 10467 10473 10479 10488 10 10467 10473 10491 10494 10 10467 10473 10491 10497 10 10467 10473 10491 10500 10 10467 10503 10509 10512 39 10464 10461 10467 10470 11 10464 10461 10467 10473 11 10464 10461 10467 10503 11 10461 10467 10473 10476 9 10527 10524 10530 10533 38 10527 10524 -10530 10533 39 10524 10530 10536 10539 11 10521 10515 10524 10527 43 10521 10515 -10524 10527 11 10521 10515 -10524 10527 47 10521 10515 10524 10530 11 10518 10515 10524 10527 43 10518 10515 -10524 10527 11 10518 10515 -10524 10527 47 10518 10515 10524 10530 11 10515 10524 10530 10533 39 10512 10509 10515 10518 11 10512 10509 10515 10521 11 10512 10509 10515 10524 11 10569 10566 10572 10575 38 10569 10566 -10572 10575 39 10566 10572 10578 10581 11 10554 10551 10557 10560 38 10554 10551 -10557 10560 39 10554 10551 10557 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10755 10761 11 10749 10746 10755 10758 43 10749 10746 -10755 10758 11 10749 10746 -10755 10758 47 10749 10746 10755 10761 11 10746 10755 10761 10764 39 10743 10740 10746 10749 11 10743 10740 10746 10752 11 10743 10740 10746 10755 11 10800 10797 10803 10806 38 10800 10797 -10803 10806 39 10797 10803 10809 10812 11 10797 10803 10809 10815 11 10788 10779 10773 10791 5 10788 10779 -10773 10791 6 10785 10779 10773 10791 5 10785 10779 -10773 10791 6 10782 10779 10773 10791 5 10782 10779 -10773 10791 6 10779 10773 10791 10794 5 10779 10773 -10791 10794 10 10776 10773 10767 10797 9 10776 10773 10779 10782 9 10776 10773 10779 10785 9 10776 10773 10779 10788 9 10776 10773 10791 10794 7 10770 10767 10773 10776 9 10770 10767 10773 10779 9 10770 10767 10773 10791 5 10770 10767 -10773 10791 6 10770 10767 10797 10800 43 10770 10767 -10797 10800 11 10770 10767 -10797 10800 47 10770 10767 10797 10803 11 10767 10773 10779 10782 10 10767 10773 10779 10785 10 10767 10773 10779 10788 10 10767 10773 10791 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10857 7 10833 10830 10836 10839 9 10833 10830 10836 10842 9 10833 10830 10836 10854 5 10833 10830 -10836 10854 6 10833 10830 10860 10863 43 10833 10830 -10860 10863 11 10833 10830 -10860 10863 47 10833 10830 10860 10866 11 10830 10836 10842 10845 10 10830 10836 10842 10848 10 10830 10836 10842 10851 10 10830 10836 10854 10857 5 10830 10836 -10854 10857 10 10830 10860 10866 10869 39 10827 10824 10830 10833 11 10827 10824 10830 10836 11 10827 10824 10830 10860 11 10824 10830 10836 10839 9 10905 10902 10908 10911 38 10905 10902 -10908 10911 39 10902 10908 10914 10917 11 10890 10887 10893 10896 38 10890 10887 -10893 10896 39 10890 10887 10893 10899 38 10890 10887 -10893 10899 39 10884 10878 10872 10902 9 10884 10878 10887 10890 43 10884 10878 -10887 10890 11 10884 10878 -10887 10890 47 10884 10878 10887 10893 11 10881 10878 10872 10902 9 10881 10878 10887 10890 43 10881 10878 -10887 10890 11 10881 10878 -10887 10890 47 10881 10878 10887 10893 11 10878 10887 10893 10896 39 10878 10887 10893 10899 39 10875 10872 10878 10881 9 10875 10872 10878 10884 9 10875 10872 10878 10887 9 10875 10872 10902 10905 43 10875 10872 -10902 10905 11 10875 10872 -10902 10905 47 10875 10872 10902 10908 11 10872 10902 10908 10911 39 10869 10866 10872 10875 11 10869 10866 10872 10878 11 10869 10866 10872 10902 11 10866 10872 10878 10881 9 10866 10872 10878 10884 9 10971 10968 10974 10977 38 10971 10968 -10974 10977 39 10968 10974 10980 10983 11 10953 10947 10956 10959 9 10953 10947 10956 10962 9 10953 10947 10956 10965 9 10950 10947 10956 10959 9 10950 10947 10956 10962 9 10950 10947 10956 10965 9 10944 10938 10947 10950 9 10944 10938 10947 10953 9 10944 10938 10947 10956 9 10941 10938 10947 10950 9 10941 10938 10947 10953 9 10941 10938 10947 10956 9 10938 10947 10956 10959 9 10938 10947 10956 10962 9 10938 10947 10956 10965 9 10935 10929 10938 10941 54 10935 10929 10938 10944 54 10935 10929 10938 10947 10 10932 10929 10938 10941 54 10932 10929 10938 10944 54 10932 10929 10938 10947 10 10929 10938 10947 10950 9 10929 10938 10947 10953 9 10926 10920 10914 10968 9 10926 10920 10929 10932 54 10926 10920 10929 10935 54 10926 10920 10929 10938 10 10923 10920 10914 10968 9 10923 10920 10929 10932 54 10923 10920 10929 10935 54 10923 10920 10929 10938 10 10920 10929 10938 10941 10 10920 10929 10938 10944 10 10917 10914 10920 10923 9 10917 10914 10920 10926 9 10917 10914 10920 10929 9 10917 10914 10968 10971 43 10917 10914 -10968 10971 11 10917 10914 -10968 10971 47 10917 10914 10968 10974 11 10914 10920 10929 10932 10 10914 10920 10929 10935 10 10914 10968 10974 10977 39 10911 10908 10914 10917 11 10911 10908 10914 10920 11 10911 10908 10914 10968 11 10908 10914 10920 10923 9 10908 10914 10920 10926 9 11037 11034 11040 11043 38 11037 11034 -11040 11043 39 11034 11040 11046 11049 11 11019 11013 11022 11025 9 11019 11013 11022 11028 9 11019 11013 11022 11031 9 11016 11013 11022 11025 9 11016 11013 11022 11028 9 11016 11013 11022 11031 9 11010 11004 11013 11016 9 11010 11004 11013 11019 9 11010 11004 11013 11022 9 11007 11004 11013 11016 9 11007 11004 11013 11019 9 11007 11004 11013 11022 9 11004 11013 11022 11025 9 11004 11013 11022 11028 9 11004 11013 11022 11031 9 11001 10995 11004 11007 54 11001 10995 11004 11010 54 11001 10995 11004 11013 10 10998 10995 11004 11007 54 10998 10995 11004 11010 54 10998 10995 11004 11013 10 10995 11004 11013 11016 9 10995 11004 11013 11019 9 10992 10986 10980 11034 9 10992 10986 10995 10998 54 10992 10986 10995 11001 54 10992 10986 10995 11004 10 10989 10986 10980 11034 9 10989 10986 10995 10998 54 10989 10986 10995 11001 54 10989 10986 10995 11004 10 10986 10995 11004 11007 10 10986 10995 11004 11010 10 10983 10980 10986 10989 9 10983 10980 10986 10992 9 10983 10980 10986 10995 9 10983 10980 11034 11037 43 10983 10980 -11034 11037 11 10983 10980 -11034 11037 47 10983 10980 11034 11040 11 10980 10986 10995 10998 10 10980 10986 10995 11001 10 10980 11034 11040 11043 39 10977 10974 10980 10983 11 10977 10974 10980 10986 11 10977 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3760 3765 3766 3767 3755 3756 3757 3765 3756 3757 3758 3759 3760 3761 3762 3765 3766 3767 3768 3769 3757 3758 3759 3760 3765 3766 3767 3758 3759 3760 3761 3762 3763 3764 3765 3766 3767 3759 3760 3761 3762 3765 3760 3761 3762 3765 3761 3762 3763 3764 3765 3762 3763 3764 3763 3764 3764 0 3766 3767 3768 3769 3770 3771 3775 3767 3768 3769 3768 3769 3770 3771 3772 3773 3774 3775 3776 3777 3769 3770 3771 3775 3770 3771 3772 3773 3774 3775 3776 3777 3778 3779 3771 3772 3773 3774 3775 3776 3777 3772 3773 3774 3775 3776 3777 3773 3774 3775 3774 3775 3775 3776 3777 3778 3779 3780 3781 3785 3777 3778 3779 3778 3779 3780 3781 3782 3783 3784 3785 3786 3787 3779 3780 3781 3785 3780 3781 3782 3783 3784 3785 3786 3787 3788 3789 3781 3782 3783 3784 3785 3786 3787 3782 3783 3784 3785 3786 3787 3783 3784 3785 3784 3785 3785 3786 3787 3788 3789 3790 3791 3800 3787 3788 3789 3788 3789 3790 3791 3792 3793 3794 3800 3801 3802 3789 3790 3791 3800 3790 3791 3792 3793 3794 3795 3796 3797 3800 3801 3802 3803 3804 3791 3792 3793 3794 3800 3801 3802 3792 3793 3794 3795 3796 3797 3798 3799 3800 3801 3802 3793 3794 3795 3796 3797 3800 3794 3795 3796 3797 3800 3795 3796 3797 3798 3799 3800 3796 3797 3798 3799 3797 3798 3799 3798 3799 3799 0 3801 3802 3803 3804 3805 3806 3814 3802 3803 3804 3803 3804 3805 3806 3807 3808 3809 3814 3815 3816 3804 3805 3806 3814 3805 3806 3807 3808 3809 3810 3811 3814 3815 3816 3817 3818 3806 3807 3808 3809 3814 3815 3816 3807 3808 3809 3810 3811 3812 3813 3814 3815 3816 3808 3809 3810 3811 3814 3809 3810 3811 3814 3810 3811 3812 3813 3814 3811 3812 3813 3812 3813 3813 0 3815 3816 3817 3818 3819 3820 3831 3816 3817 3818 3817 3818 3819 3820 3821 3822 3823 3831 3832 3833 3818 3819 3820 3831 3819 3820 3821 3822 3823 3824 3825 3826 3831 3832 3833 3834 3835 3820 3821 3822 3823 3831 3832 3833 3821 3822 3823 3824 3825 3826 3827 3831 3832 3833 3822 3823 3824 3825 3826 3831 3823 3824 3825 3826 3831 3824 3825 3826 3827 3828 3829 3830 3831 3825 3826 3827 3826 3827 3827 3828 3829 3830 3828 3829 3830 3829 3830 3830 0 3832 3833 3834 3835 3836 3837 3850 3833 3834 3835 3834 3835 3836 3837 3838 3839 3840 3850 3851 3852 3835 3836 3837 3850 3836 3837 3838 3839 3840 3841 3842 3846 3850 3851 3852 3853 3854 3837 3838 3839 3840 3850 3851 3852 3838 3839 3840 3841 3842 3843 3844 3845 3846 3847 3848 3849 3850 3851 3852 3839 3840 3841 3842 3846 3850 3840 3841 3842 3846 3850 3841 3842 3843 3844 3845 3846 3847 3848 3849 3850 3842 3843 3844 3845 3846 3847 3848 3849 3843 3844 3845 3846 3847 3848 3849 3844 3845 3846 3845 3846 3846 3847 3848 3849 3848 3849 3849 0 3851 3852 3853 3854 3855 3856 3865 3852 3853 3854 3853 3854 3855 3856 3857 3858 3859 3865 3866 3867 3854 3855 3856 3865 3855 3856 3857 3858 3859 3860 3861 3862 3865 3866 3867 3868 3869 3856 3857 3858 3859 3865 3866 3867 3857 3858 3859 3860 3861 3862 3863 3864 3865 3866 3867 3858 3859 3860 3861 3862 3865 3859 3860 3861 3862 3865 3860 3861 3862 3863 3864 3865 3861 3862 3863 3864 3862 3863 3864 3863 3864 3864 0 3866 3867 3868 3869 3870 3871 3884 3867 3868 3869 3868 3869 3870 3871 3872 3873 3877 3884 3885 3886 3869 3870 3871 3884 3870 3871 3872 3873 3874 3875 3876 3877 3878 3879 3880 3884 3885 3886 3887 3888 3871 3872 3873 3877 3884 3885 3886 3872 3873 3874 3875 3876 3877 3878 3879 3880 3881 3882 3883 3884 3885 3886 3873 3874 3875 3876 3877 3878 3879 3880 3884 3874 3875 3876 3877 3878 3879 3880 3884 3875 3876 3877 3876 3877 3877 3878 3879 3880 3881 3882 3883 3884 3879 3880 3881 3882 3883 3880 3881 3882 3883 3881 3882 3883 3882 3883 3883 0 3885 3886 3887 3888 3889 3890 3903 3886 3887 3888 3887 3888 3889 3890 3891 3892 3893 3903 3904 3905 3888 3889 3890 3903 3889 3890 3891 3892 3893 3894 3895 3899 3903 3904 3905 3906 3907 3890 3891 3892 3893 3903 3904 3905 3891 3892 3893 3894 3895 3896 3897 3898 3899 3900 3901 3902 3903 3904 3905 3892 3893 3894 3895 3899 3903 3893 3894 3895 3899 3903 3894 3895 3896 3897 3898 3899 3900 3901 3902 3903 3895 3896 3897 3898 3899 3900 3901 3902 3896 3897 3898 3899 3900 3901 3902 3897 3898 3899 3898 3899 3899 3900 3901 3902 3901 3902 3902 0 3904 3905 3906 3907 3908 3909 3910 3905 3906 3907 3906 3907 3908 3909 3910 3911 3912 3907 3908 3909 3910 3908 3909 3910 3911 3912 3913 3914 3909 3910 3911 3912 3910 3911 3912 3911 3912 3913 3914 3915 3916 3930 3912 3913 3914 3913 3914 3915 3916 3917 3918 3919 3930 3931 3932 3914 3915 3916 3930 3915 3916 3917 3918 3919 3920 3928 3930 3931 3932 3933 3934 3916 3917 3918 3919 3930 3931 3932 3917 3918 3919 3920 3921 3922 3926 3928 3929 3930 3931 3932 3918 3919 3920 3928 3930 3919 3920 3928 3930 3920 3921 3922 3923 3924 3926 3927 3928 3929 3930 3921 3922 3923 3924 3925 3926 3928 3929 3922 3923 3924 3928 3923 3924 3925 3926 3927 3928 3924 3925 3926 3925 3926 3927 3928 3929 3926 3927 3928 3927 3928 3929 3928 3929 3929 0 3931 3932 3933 3934 3935 3936 3952 3932 3933 3934 3933 3934 3935 3936 3937 3938 3939 3952 3953 3954 3934 3935 3936 3952 3935 3936 3937 3938 3939 3940 3941 3942 3952 3953 3954 3936 3937 3938 3939 3952 3953 3954 3937 3938 3939 3940 3941 3942 3943 3944 3945 3952 3953 3954 3938 3939 3940 3941 3942 3952 3939 3940 3941 3942 3952 3940 3941 3942 3943 3944 3945 3946 3947 3948 3952 3941 3942 3943 3944 3945 3942 3943 3944 3945 3943 3944 3945 3946 3947 3948 3949 3950 3951 3944 3945 3946 3947 3948 3945 3946 3947 3948 3946 3947 3948 3949 3950 3951 3947 3948 3949 3950 3951 3948 3949 3950 3951 3949 3950 3951 3950 3951 3951 0 3953 3954 3954 0 %FLAG HBOND_ACOEF %FORMAT(5E16.8) %FLAG HBOND_BCOEF %FORMAT(5E16.8) %FLAG HBCUT %FORMAT(5E16.8) %FLAG AMBER_ATOM_TYPE %FORMAT(20a4) 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* 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 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 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* 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* 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 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 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* 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* 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* 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 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* 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 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* 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 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 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 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 OH HO N3 H H H CT HP HP C O N H CT H1 CT H1 H1 OH HO C O N H CT H1 CT HC HC CC NB CR H5 NA H CW H4 C O N H CT H1 CT HC HC CT H1 H1 S CT H1 H1 H1 C O N H CT H1 CT HC HC CT HC HC CT HC HC CT HP HP N3 H H H C O N H CT H1 CT H1 H1 OH HO C O N H CT H1 CT HC HC CT HC HC C O2 O2 C O N H CT H1 CT HC CT HC HC HC CT HC HC CT HC HC HC C O N H CT H1 CT H1 H1 OH HO C O N H CT H1 CT HC HC CT HC HC C O N H H C O N H CT H1 CT HC CT HC HC HC CT HC HC HC C O N H CT H1 CT HC HC CA CA HA CA HA CA HA CA HA CA HA C O N H CT H1 CT HC HC CT HC HC C O2 O2 C O N H CT H1 CT HC CT HC HC HC CT HC HC CT HC HC HC C O N H CT H1 CT HC HC HC C O N H CT H1 CT HC HC CT HC CT HC HC HC CT HC HC HC C O N H CT H1 CT HC HC CT HC HC CT HC HC CT HP HP N3 H H H C O N H CT H1 CT HC HC CT HC HC CT H1 H1 N2 H CA N2 H H N2 H H C O N H CT H1 CT HC HC C O N H H C O N H CT H1 CT HC HC CT HC CT HC HC HC CT HC HC HC C O N CT H1 H1 CT HC HC CT HC HC CT H1 C O N H CT H1 CT HC CT HC HC HC CT HC HC HC C O N H CT H1 CT HC HC C O N H H C O N H CT H1 CT HC HC CA CA HA CA HA CA HA CA HA CA HA C O N H CT H1 CT HC HC CT HC HC C O2 O2 C O N H CT H1 CT HC CT HC HC HC CT HC HC HC C O N H CT H1 CT HC HC HC C O N H CT H1 CT HC HC CT HC HC CT H1 H1 N2 H CA N2 H H N2 H H C O N H CT H1 CT HC HC CT HC HC C O2 O2 C O N H CT H1 CT H1 H1 OH HO C O N H CT H1 H1 C O N CT H1 H1 CT HC HC CT HC HC CT H1 C O N CT H1 H1 CT HC HC CT HC HC CT H1 C O N H CT H1 CT HC HC CC NB CR H5 NA H CW H4 C O N H CT H1 CT HC HC CT H1 H1 S CT H1 H1 H1 C O N H CT H1 CT HC HC CT HC HC CT HC HC CT HP HP N3 H H H C O N H CT H1 CT HC HC C O N H H C O N H CT H1 CT HC HC CA CA HA CA HA CA HA CA HA CA HA C O N H CT H1 CT HC CT HC HC HC CT HC HC HC C O N H CT H1 CT H1 CT HC HC HC OH HO C O N H CT H1 CT HC HC CT HC HC CT HC HC CT HP HP N3 H H H C O N H CT H1 CT HC CT HC HC HC CT HC HC HC C O N H CT H1 CT H1 H1 OH HO C O N H CT H1 CT HC CT HC HC HC CT HC HC HC C O N H CT H1 H1 C O N H CT H1 CT HC HC CT HC HC C O2 O2 C O N H CT H1 CT HC HC CA CA HA CA HA CA HA CA HA CA HA C O N H CT H1 CT HC CT HC HC HC CT HC HC HC C O N H CT H1 H1 C O N H CT H1 CT HC HC CT HC HC C O2 O2 C O N H CT H1 H1 C O N H CT H1 CT HC HC CT HC HC C O2 O2 C O N H CT H1 H1 C O N H CT H1 CT HC HC CT HC HC CT HC HC CT HP HP N3 H H H C O N H CT H1 CT H1 H1 OH HO C O N H CT H1 CT HC HC CT HC HC CT HC HC CT HP HP N3 H H H C O N H CT H1 CT HC HC CT HC HC CT HC HC CT HP HP N3 H H H C O N H CT H1 CT HC CT HC HC HC CT HC HC CT HC HC HC C O N H CT H1 CT H1 H1 OH HO C O N H CT H1 CT HC HC CT HC HC CT HC HC CT HP HP N3 H H H C O N H CT H1 CT HC HC CT HC HC CT HC HC CT HP HP N3 H H H C O N H CT H1 CT HC HC C O N H H C O N H CT H1 CT HC HC HC C O N H CT H1 CT HC HC HC C O N H CT H1 CT HC CT HC HC HC CT HC HC CT HC HC HC C O N H CT H1 CT HC HC HC C O N H CT H1 CT HC CT HC HC HC CT HC HC HC C O N H CT H1 CT HC HC CT HC CT HC HC HC CT HC HC HC C O N H CT H1 CT HC HC CT HC HC C O2 O2 C O N H CT H1 CT HC HC CT HC HC C O2 O2 C O N H CT H1 CT HC HC CT HC CT HC HC HC CT HC HC HC C O N H CT H1 CT HC HC CT HC HC CT HC HC CT HP HP N3 H H H C O N H CT H1 CT HC HC CT HC HC CT HC HC CT HP HP N3 H H H C O N H CT H1 CT HC HC CT HC CT HC HC HC CT HC HC HC C O N CT H1 H1 CT HC HC CT HC HC CT H1 C O N CT H1 H1 CT HC HC CT HC HC CT H1 C O N H CT H1 CT HC HC CT HC CT HC HC HC CT HC HC HC C O N CT H1 H1 CT HC HC CT HC HC CT H1 C O N H CT H1 CT HC HC HC C O N H CT H1 CT HC CT HC HC HC CT HC HC HC C O N H CT H1 CT HC HC CT HC HC C O2 O2 C O N H CT H1 CT HC HC CT HC HC CT H1 H1 N2 H CA N2 H H N2 H H C O N H CT H1 CT HC CT HC HC HC CT HC HC HC C O N H CT H1 CT HC HC CT HC HC CT HC HC CT HP HP N3 H H H C O N CT H1 H1 CT HC HC CT HC HC CT H1 C O N H CT H1 CT HC HC CT HC HC CT H1 H1 N2 H CA N2 H H N2 H H C O N H CT H1 CT HC CT HC HC HC CT HC HC CT HC HC HC C O N H CT H1 CT HC HC CT HC HC CT HC HC CT HP HP N3 H H H C O N H CT H1 CT HC HC CT HC HC CT HC HC CT HP HP N3 H H H C O N H CT H1 CT HC HC CT HC HC CT HC HC CT HP HP N3 H H H C O N H CT H1 CT H1 CT HC HC HC OH HO C O N H CT H1 CT HC HC CT HC HC CT HC HC CT HP HP N3 H H H C O N CT H1 H1 CT HC HC CT HC HC CT H1 C O N H CT H1 CT HC CT HC HC HC CT HC HC CT HC HC HC C O N H CT H1 CT HC CT HC HC HC CT HC HC HC C O N H CT H1 CT HC HC CT HC HC CT HC HC CT HP HP N3 H H H C O N CT H1 H1 CT HC HC CT HC HC CT H1 C O N H CT H1 CT HC HC CT HC HC C O N H H C O N H CT H1 CT H1 CT HC HC HC OH HO C O N H CT H1 CT H1 H1 OH HO C O N CT H1 H1 CT HC HC CT HC HC CT H1 C O N H CT H1 CT HC HC CT HC HC C O2 O2 C O N H CT H1 CT HC HC CA CA HA CA HA C OH HO CA HA CA HA C O N H CT H1 H1 C O N H CT H1 CT HC HC CT HC HC C O N H H C O N H CT H1 H1 C O N H CT H1 CT HC CT HC HC HC CT HC HC CT HC HC HC C O N H CT H1 CT HC HC C O N H H C O N CT H1 H1 CT HC HC CT HC HC CT H1 C O N H CT H1 CT HC CT HC HC HC CT HC HC CT HC HC HC C O N H CT H1 CT H1 H1 OH HO C O N H CT H1 CT HC HC CT HC HC CT H1 H1 N2 H CA N2 H H N2 H H C O N H CT H1 CT HC HC CT HC CT HC HC HC CT HC HC HC C O N H CT H1 CT HC HC HC C O N H CT H1 CT HC HC CT HC HC C O N H H C O N H CT H1 CT HC CT HC HC HC CT HC HC CT HC HC HC C O N H CT H1 CT HC HC CT HC HC C O N H H C O N H CT H1 CT HC HC CT HC HC C O N H H C O N H CT H1 CT HC HC HC C O N H CT H1 CT HC HC CT HC HC CT HC HC CT HP HP N3 H H H C O N H CT H1 CT HC HC CT HC HC CT HC HC CT HP HP N3 H H H C O N H CT H1 CT HC HC CT HC HC C O2 O2 C O N H CT H1 CT HC HC CT HC HC CT HC HC CT HP HP N3 H H H C O N H CT H1 CT HC HC CT HC HC C O2 O2 C O N CT H1 H1 CT HC HC CT HC HC CT H1 C O N H CT H1 CT HC HC CT HC HC C O2 O2 C O N H CT H1 CT HC HC CA CA HA CA HA C OH HO CA HA CA HA C O N H CT H1 CT H1 CT HC HC HC OH HO C O N H CT H1 CT HC HC CT HC CT HC HC HC CT HC HC HC C O N H CT H1 CT HC HC CT HC CT HC HC HC CT HC HC HC C O N H CT H1 CT H1 CT HC HC HC OH HO C O N H CT H1 CT HC HC CT HC HC C O2 O2 C O N H CT H1 CT HC HC CT HC HC CT H1 H1 N2 H CA N2 H H N2 H H C O N H CT H1 H1 C O N H CT H1 CT HC HC CT HC CT HC HC HC CT HC HC HC C O N CT H1 H1 CT HC HC CT HC HC CT H1 C O N H CT H1 CT HC HC CT HC HC CT H1 H1 N2 H CA N2 H H N2 H H C O N H CT H1 CT HC HC CT HC HC CT H1 H1 N2 H CA N2 H H N2 H H C O N H CT H1 CT HC HC CT HC HC CT H1 H1 N2 H CA N2 H H N2 H H C O N H CT H1 CT HC HC CT HC HC C O2 O2 C O N H CT H1 CT HC HC CA CA HA CA HA CA HA CA HA CA HA C O N H CT H1 CT HC CT HC HC HC CT HC HC HC C O N H CT H1 CT HC HC CT H1 H1 S CT H1 H1 H1 C O N H CT H1 CT HC HC CT HC HC C O N H H C O N H CT H1 CT HC CT HC HC HC CT HC HC HC C O N H CT H1 CT HC HC CT HC HC CT HC HC CT HP HP N3 H H H C O N H CT H1 CT HC CT HC HC HC CT HC HC HC C O N H CT H1 H1 C O N H CT H1 CT HC HC C O N H H C O N H CT H1 CT HC HC CC NB CR H5 NA H CW H4 C O N H CT H1 CT H1 CT HC HC HC OH HO C O N H CT H1 CT HC HC HC C O N H CT H1 CT HC HC CT HC HC C O2 O2 C O N H CT H1 H1 C O N H CT H1 CT H1 CT HC HC HC OH HO C O N H CT H1 H1 C O N H CT H1 CT H1 CT HC HC HC OH HO C O N H CT H1 CT HC HC C O N H H C O N H CT H1 CT HC HC CT HC HC CT HC HC CT HP HP N3 H H H C O N H CT H1 CT HC HC CT HC HC CT HC HC CT HP HP N3 H H H C O N H CT H1 CT HC CT HC HC HC CT HC HC HC C O N H CT H1 CT HC HC HC C O N H CT H1 CT HC HC CT HC HC CT HC HC CT HP HP N3 H H H C O N H CT H1 CT HC HC CT HC HC CT H1 H1 N2 H CA N2 H H N2 H H C O N H CT H1 CT HC HC C O N H H C O N H CT H1 CT HC HC HC C O N H CT H1 CT HC HC HC C O N H CT H1 CT HC HC CT HC HC C O2 O2 C O N H CT H1 CT HC HC C O N H H C O N H CT H1 CT HC HC CT H1 H1 S CT H1 H1 H1 C O N H CT H1 CT HC HC CT HC CT HC HC HC CT HC HC HC C O N H CT H1 CT HC HC CT HC HC C O2 O2 C O N H CT H1 CT HC CT HC HC HC CT HC HC CT HC HC HC C O N H CT H1 CT HC HC CT HC CT HC HC HC CT HC HC HC C O N H CT H1 H1 C O N H CT H1 CT HC HC CA CA HA CA HA CA HA CA HA CA HA C O N H CT H1 CT HC HC CT HC HC CT HC HC CT HP HP N3 H H H C O2 O2 %FLAG TREE_CHAIN_CLASSIFICATION %FORMAT(20a4) 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 E B B E B E S B E E E B M E B E S E M M E E M M E E M E S 3 E B S E S E B B E E S B E M E B E S E M M E E M M E E M E S 3 E B S E E B B B E E S S E E B M E B E S E M M E E M M E E M E S 3 E B S E E B B E B E S B E E E B M E B E S E M M E E M M E E M E S 3 E B S E E B B B E E S S E E B M E B E S E M M E E M M E E M E S 3 E B S E E B B B E E S S E E B M E B E S E M M E E M M E E M E S 3 E B S E E B B E B E S B E E E B M E B E S E M M E E M M E E M E S 3 E B S E S E B B E E S B E M E B E S E M M E E M M E E M E S 3 E B S E S E B E B E B E M E B E S E M M E E M M E E M E S 3 E B S E E B B E B E S B E E E B M E B E S E M M E E M M E E M E S 3 E B S E S E B B E E S B E M E B E S E M M E E M M E E M E S 3 E B S E S E B B E E S B E M E B E S E M M E E M M E E M E S 3 E B S E S E B E B E B E M E B E S E M M E E M M E E M E S 3 E B S E S E B B E E S B E M E B E S E M M E E M M 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 E B B E B E S B E E E B M E B E S E M M E E M M E E M E S 3 E B S E E B B E B E S B E E E B M E B E S E M M E E M M E E M E S 3 E B S E E B B B E E S S E E B M E B E S E M M E E M M E E M E S 3 E B S E E B B E B E S B E E E B M E B E S E M M E E M M E E M E S 3 E B S E E B B E B E S B E E E B M E B E S E M M E E M M E E M E S 3 E B S E S E B B E E S B E M E B E S E M M E E M M E E M E S 3 E B S E E B B B E E S S E E B M E B E S E M M E E M M E E M E S 3 E B S E E B B E B E S B E E E B M E B E S E M M E E M M E E M E S 3 E B S E S E B E B E B E M E B E S E M M E E M M E E M E S 3 E B S E S E B E B E B E M E B E S E M M E E M M E E M E S 3 E B S E S E B E B E B E M E B E S E M M E E M M E E M E S 3 E B S E S E B B E E S B E M E B E S E M M E E M M E E M E S 3 E B S E S E B E B E B E M E B E S E M M E E M M E E M E S 3 E B S E E B B E B E S B E E E B M E B E S E M M E E M M E E M E S 3 E B S E 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 BLA BLA BLA BLA BLA BLA BLA BLA BLA M E M E 3 E E S 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 S 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 S 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 3 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 3 E E E 3 E 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 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 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 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 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 3 E E E 3 E 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 B B E B E B E S E S 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 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 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 3 E E 3 E E B E E M 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 S 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 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 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 3 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 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 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 3 E E E M E M E M 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 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 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 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 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 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 3 E 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 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 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 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 3 E E 3 E E B E E M 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 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 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 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 3 E E 3 E E B E E M 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 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 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 E M E 3 E E 3 E E 3 E E 3 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 3 E E E 3 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 3 E E 3 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 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 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 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 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 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 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 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 E M 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 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 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 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 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 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 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 3 E E E S 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 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 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 B E B B 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 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 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 E B 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 3 E E 3 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 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 E S E B E B E M E M E M E 3 E 3 E E E S 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 3 E 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 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 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 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 3 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 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 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 3 E 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 B E B E B E S E S E M E BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA %FLAG JOIN_ARRAY %FORMAT(10I8) 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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