NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
653355 | 6hpj | 34317 | cing | 1-original | 1 | unknown | unknown |
# Restraints file 1: prmtop %VERSION VERSION_STAMP = V0001.000 DATE = 08/24/18 16:27:41 %FLAG TITLE %FORMAT(20a4) default_name %FLAG POINTERS %FORMAT(10I8) 1509 17 707 834 1608 1156 3356 3354 0 0 8318 90 834 1156 3354 71 162 212 34 0 0 0 0 0 0 0 0 0 34 0 0 %FLAG ATOM_NAME %FORMAT(20a4) N H1 H2 H3 CA HA CB HB CG1 HG11HG12HG13CG2 HG21HG22HG23C 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 NE HE CZ NH1 HH11HH12NH2 HH21HH22C O N H CA HA2 HA3 C O N CD HD2 HD3 CG HG2 HG3 CB HB2 HB3 CA HA C O N H CA HA CB HB1 HB2 HB3 C O N H CA HA2 HA3 C O N H CA HA CB HB2 HB3 CG OD1 ND2 HD21HD22C O N H CA HA CB HB2 HB3 CG OD1 ND2 HD21HD22C O N H CA HA CB HB2 HB3 CG OD1 OD2 C O N H CA HA CB HB2 HB3 SG HG C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD HD2 HD3 NE HE CZ NH1 HH11HH12NH2 HH21HH22C O N H CA HA CB HB CG2 HG21HG22HG23CG1 HG12HG13CD1 HD11HD12HD13C 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 CG1 HG11HG12HG13CG2 HG21HG22HG23C 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 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 OD1 OD2 C O N H CA HA CB HB CG2 HG21HG22HG23 CG1 HG12HG13CD1 HD11HD12HD13C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD HD2 HD3 NE HE CZ NH1 HH11HH12NH2 HH21HH22C O N H CA HA CB HB CG2 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 H CA HA CB HB2 HB3 CG OD1 OD2 C O N H CA HA CB HB CG2 HG21HG22HG23CG1 HG12HG13CD1 HD11HD12HD13C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD OE1 OE2 C O N H CA HA CB HB2 HB3 CG OD1 OD2 C O N H CA HA CB HB CG1 HG11HG12HG13CG2 HG21HG22 HG23C 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 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 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 HB1 HB2 HB3 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 NE HE CZ NH1 HH11HH12NH2 HH21HH22C O N H CA HA CB HB2 HB3 CG OD1 OD2 C O N H CA HA CB HB CG2 HG21HG22HG23CG1 HG12HG13CD1 HD11HD12HD13C O N H CA HA CB HB2 HB3 CG OD1 OD2 C O N H CA HA CB HB2 HB3 CG HG CD1 HD11HD12HD13CD2 HD21HD22HD23C O N H CA HA CB HB2 HB3 CG 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 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 HH21 HH22C O N H CA HA2 HA3 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 CD1 HD1 CE1 HE1 CZ HZ CE2 HE2 CD2 HD2 C O N H CA HA CB HB1 HB2 HB3 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 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 HB2 HB3 CG HG2 HG3 CD OE1 OE2 C O N H CA HA CB HB2 HB3 CG OD1 OD2 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 HH21HH22C O N H CA HA CB HB2 HB3 CG OD1 OD2 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 OD2 C O N H CA HA CB HB1 HB2 HB3 C O N H CA HA CB HB CG1 HG11HG12HG13 CG2 HG21HG22HG23C O N H CA HA CB HB2 HB3 OG HG C O N H CA HA2 HA3 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 OD2 C O N H CA HA2 HA3 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 HB2 HB3 CG OD1 OD2 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 HB2 HB3 CG OD1 OD2 C O N H CA HA2 HA3 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 HB2 HB3 CG HG2 HG3 CD HD2 HD3 NE HE CZ NH1 HH11HH12 NH2 HH21HH22C O N H CA HA CB HB2 HB3 CG HG CD1 HD11HD12HD13CD2 HD21 HD22HD23C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD HD2 HD3 NE HE CZ NH1 HH11HH12NH2 HH21HH22C O N H CA HA CB HB CG1 HG11HG12HG13CG2 HG21 HG22HG23C 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 CD HD2 HD3 CG HG2 HG3 CB HB2 HB3 CA HA C O OXT H5T 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' 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 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' H3T %FLAG CHARGE %FORMAT(5E16.8) 1.05142671E+00 4.14010656E+00 4.14010656E+00 4.14010656E+00 -9.84004200E-02 1.99169739E+00 5.82384708E+00 -4.02712830E-01 -5.70175767E+00 1.33933905E+00 1.33933905E+00 1.33933905E+00 -5.70175767E+00 1.33933905E+00 1.33933905E+00 1.33933905E+00 1.12304035E+01 -1.04268001E+01 -7.57501011E+00 4.95464337E+00 -1.08787131E+00 1.58351787E+00 2.37436569E+00 3.40757010E-01 -5.83842492E+00 1.60720686E+00 1.60720686E+00 1.60720686E+00 -7.83558900E-01 4.30046280E-01 4.30046280E-01 -1.20267180E+00 3.38934780E-01 3.38934780E-01 3.38934780E-01 1.08841798E+01 -1.03484442E+01 -6.33953817E+00 5.00566581E+00 -4.80522051E+00 2.84267880E+00 -1.27556100E-02 5.95869210E-01 5.95869210E-01 7.10669700E-01 5.19335550E-01 5.19335550E-01 8.85603780E-01 1.25187201E+00 1.25187201E+00 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3 8 8 6 7 1 2 3 8 3 5 5 6 7 1 2 2 6 7 1 2 3 8 3 5 5 3 5 3 5 5 5 3 5 5 5 6 7 1 3 8 8 3 5 5 3 5 5 3 8 6 7 1 3 8 8 3 5 5 3 5 5 3 8 6 7 1 2 3 8 3 5 5 6 7 7 6 7 1 2 3 8 3 5 3 5 5 5 3 5 5 3 5 5 5 6 7 1 2 3 8 3 5 5 3 5 5 3 8 8 1 2 6 1 2 2 1 2 2 6 7 1 2 3 8 3 8 3 5 5 5 11 12 6 7 1 2 3 8 3 5 5 3 5 5 3 5 5 3 4 4 1 2 2 2 6 7 1 2 3 8 3 5 5 6 7 7 6 7 1 2 3 8 3 5 3 5 5 5 3 5 5 3 5 5 5 6 7 1 2 3 8 3 5 5 3 5 5 6 7 7 6 7 1 2 3 8 3 5 5 6 7 7 6 7 1 2 3 8 3 5 3 5 5 5 3 5 5 5 6 7 1 2 3 8 3 5 5 6 6 10 6 10 6 10 6 10 6 10 6 7 1 2 3 8 3 8 8 11 12 6 7 1 2 3 8 3 5 5 3 5 5 3 5 5 3 4 4 1 2 2 2 6 7 1 2 3 8 3 5 5 6 6 10 6 10 6 11 12 6 10 6 10 6 7 1 2 3 8 8 6 7 1 2 3 8 3 5 5 5 6 7 1 2 3 8 3 5 3 5 5 5 3 5 5 3 5 5 5 6 7 1 2 3 8 3 5 5 3 5 5 3 8 8 1 2 6 1 2 2 1 2 2 6 7 1 2 3 8 3 5 5 6 7 7 6 7 1 2 3 8 3 5 3 5 5 5 3 5 5 3 5 5 5 6 7 1 2 3 8 3 5 5 6 7 7 6 7 1 2 3 8 3 5 5 3 5 3 5 5 5 3 5 5 5 6 7 1 2 3 8 3 5 5 3 5 5 3 5 5 3 4 4 1 2 2 2 6 7 1 2 3 8 3 5 5 6 7 1 2 2 6 7 1 2 3 8 3 5 5 3 5 5 3 8 8 1 2 6 1 2 2 1 2 2 6 7 1 2 3 8 3 5 5 3 5 5 3 8 8 1 2 6 1 2 2 1 2 2 6 7 1 2 3 8 8 6 7 1 2 3 8 8 6 7 1 3 8 8 3 5 5 3 5 5 3 8 6 7 1 3 8 8 3 5 5 3 5 5 3 8 6 7 1 2 3 8 3 5 5 6 6 10 6 10 6 10 6 10 6 10 6 7 1 2 3 8 3 5 5 5 6 7 1 2 3 8 3 5 5 6 6 10 6 10 6 10 6 10 6 10 6 7 1 2 3 8 3 5 3 5 5 5 3 5 5 5 6 7 1 2 3 8 3 5 5 3 5 5 6 7 7 6 7 1 2 3 8 3 5 5 6 6 10 6 10 6 10 6 10 6 10 6 7 1 2 3 8 3 5 5 3 5 5 6 7 7 6 7 1 2 3 8 3 5 5 6 7 7 6 7 1 3 8 8 3 5 5 3 5 5 3 8 6 7 1 2 3 8 3 5 5 3 5 5 3 8 8 1 2 6 1 2 2 1 2 2 6 7 1 2 3 8 3 5 5 6 7 7 6 7 1 2 3 8 3 5 5 5 6 7 1 2 3 8 3 5 5 3 5 5 6 7 7 6 7 1 2 3 8 3 5 5 6 7 7 6 7 1 2 3 8 3 5 5 5 6 7 1 2 3 8 3 5 3 5 5 5 3 5 5 5 6 7 1 2 3 8 3 8 8 11 12 6 7 1 2 3 8 8 6 7 1 2 3 8 3 5 5 3 5 5 3 8 8 1 2 6 1 2 2 1 2 2 6 7 1 2 3 8 3 5 5 6 7 7 6 7 1 2 3 8 8 6 7 1 2 3 8 3 5 5 6 6 10 6 10 6 11 12 6 10 6 10 6 7 1 2 3 8 3 5 5 6 7 7 6 7 1 2 3 8 3 5 5 6 6 10 6 10 6 11 12 6 10 6 10 6 7 1 2 3 8 3 5 5 6 7 7 6 7 1 2 3 8 8 6 7 1 2 3 8 3 5 5 6 6 10 6 10 6 11 12 6 10 6 10 6 7 1 2 3 8 3 5 5 3 5 5 3 8 8 1 2 6 1 2 2 1 2 2 6 7 1 2 3 8 3 5 5 3 5 3 5 5 5 3 5 5 5 6 7 1 2 3 8 3 5 5 3 5 5 3 8 8 1 2 6 1 2 2 1 2 2 6 7 1 2 3 8 3 5 3 5 5 5 3 5 5 5 6 7 1 2 3 8 3 5 5 3 5 5 6 7 7 6 7 1 2 3 8 3 5 5 6 6 10 6 10 6 10 6 10 6 10 6 7 1 3 8 8 3 5 5 3 5 5 3 8 6 7 7 12 11 3 8 8 3 8 13 3 14 1 6 15 1 6 6 1 2 2 1 6 15 1 6 3 8 3 8 11 12 13 16 7 7 13 3 8 8 3 8 13 3 14 1 6 15 1 6 6 1 2 2 1 6 15 1 6 3 8 3 8 11 12 13 16 7 7 13 3 8 8 3 8 13 3 14 1 6 17 6 10 6 1 2 2 1 6 7 3 8 3 8 11 12 13 16 7 7 13 3 8 8 3 8 13 3 14 1 6 15 1 6 6 1 2 2 1 6 15 1 6 3 8 3 8 11 12 13 16 7 7 13 3 8 8 3 8 13 3 14 1 6 15 1 6 6 1 2 2 1 6 15 1 6 3 8 3 8 11 12 13 16 7 7 13 3 8 8 3 8 13 3 14 1 6 15 1 6 6 1 2 2 1 6 15 1 6 3 8 3 8 11 12 11 12 %FLAG NUMBER_EXCLUDED_ATOMS %FORMAT(10I8) 12 6 5 4 16 7 12 9 8 3 2 1 4 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 9 5 4 7 4 3 8 3 6 5 2 1 2 1 1 7 3 7 4 7 4 3 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 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 10 5 4 5 3 2 1 1 7 3 10 4 12 7 8 5 4 3 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 16 7 15 9 8 3 2 1 7 5 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 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 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 12 7 8 5 4 3 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 9 5 4 7 4 3 8 3 6 5 2 1 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 12 7 8 5 4 3 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 6 4 3 2 1 1 7 3 10 4 12 7 8 5 4 3 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 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 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 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 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 8 5 4 3 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 12 7 8 5 4 3 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 12 7 10 5 4 5 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 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 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 12 5 4 10 8 4 6 3 5 3 3 2 1 1 7 3 10 4 10 7 6 3 2 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 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 13 7 11 6 5 6 4 3 2 1 1 7 3 10 4 12 7 8 5 4 3 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 12 7 8 5 4 3 1 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 8 5 4 3 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 11 7 7 4 3 2 1 7 3 7 4 7 4 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 12 7 8 5 4 3 1 1 7 3 7 4 7 4 3 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 12 7 8 5 4 3 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 12 7 8 5 4 3 1 1 7 3 7 4 7 4 3 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 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 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 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 10 3 14 11 6 5 8 5 4 7 4 3 4 3 2 1 1 5 7 10 5 4 12 6 11 15 7 12 7 3 6 8 8 5 2 1 4 3 2 1 1 10 5 5 3 2 1 5 7 3 2 7 10 5 4 12 6 11 15 7 12 7 3 6 8 8 5 2 1 4 3 2 1 1 10 5 5 3 2 1 5 7 3 2 7 10 5 4 12 6 11 15 7 12 9 4 7 3 6 4 2 1 2 2 1 10 5 5 3 2 1 5 7 3 2 7 10 5 4 12 6 11 15 7 12 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 8 8 5 2 1 4 3 2 1 1 7 5 5 3 2 1 1 1 %FLAG NONBONDED_PARM_INDEX %FORMAT(10I8) 1 2 4 7 11 16 22 29 37 46 56 67 79 92 106 121 137 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) VAL ILE ARG GLY PRO ALA GLY ASN ASN ASP CYS ARG ILE TYR VAL GLY ASN LEU PRO PRO ASP ILE ARG THR LYS ASP ILE GLU ASP VAL PHE SER LYS TYR GLY ALA ILE ARG ASP ILE ASP LEU LYS ASN ARG ARG GLY GLY PRO PRO PHE ALA PHE VAL GLU PHE GLU ASP PRO ARG ASP ALA GLU ASP ALA VAL SER GLY ARG ASP GLY TYR ASP TYR ASP GLY TYR ARG LEU ARG VAL GLU PHE PRO RA5 RA RC RA RA RA3 %FLAG RESIDUE_POINTER %FORMAT(10I8) 1 19 38 62 69 83 93 100 114 128 140 151 175 194 215 231 238 252 271 285 299 311 330 354 368 390 402 421 436 448 464 484 495 517 538 545 555 574 598 610 629 641 660 682 696 720 744 751 758 772 786 806 816 836 852 867 887 902 914 928 952 964 974 989 1001 1011 1027 1038 1045 1069 1081 1088 1109 1121 1142 1154 1161 1182 1206 1225 1249 1265 1280 1300 1315 1346 1379 1410 1443 1476 %FLAG BOND_FORCE_CONSTANT %FORMAT(5E16.8) 5.70000000E+02 4.90000000E+02 3.40000000E+02 3.40000000E+02 3.10000000E+02 3.40000000E+02 3.10000000E+02 3.17000000E+02 4.34000000E+02 3.67000000E+02 3.40000000E+02 3.10000000E+02 3.10000000E+02 3.40000000E+02 4.34000000E+02 3.37000000E+02 4.34000000E+02 4.81000000E+02 3.40000000E+02 3.37000000E+02 3.40000000E+02 3.10000000E+02 3.10000000E+02 3.10000000E+02 3.10000000E+02 3.40000000E+02 3.37000000E+02 3.17000000E+02 3.10000000E+02 6.56000000E+02 3.17000000E+02 2.74000000E+02 3.40000000E+02 2.37000000E+02 3.67000000E+02 4.69000000E+02 5.53000000E+02 4.50000000E+02 4.69000000E+02 3.17000000E+02 3.40000000E+02 3.20000000E+02 3.40000000E+02 3.67000000E+02 3.10000000E+02 3.20000000E+02 6.56000000E+02 2.30000000E+02 3.20000000E+02 3.20000000E+02 4.61000000E+02 3.67000000E+02 5.02000000E+02 4.83000000E+02 4.69000000E+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 %FLAG BOND_EQUIL_VALUE %FORMAT(5E16.8) 1.22900000E+00 1.33500000E+00 1.09000000E+00 1.09000000E+00 1.52600000E+00 1.09000000E+00 1.52600000E+00 1.52200000E+00 1.01000000E+00 1.47100000E+00 1.09000000E+00 1.52600000E+00 1.52600000E+00 1.09000000E+00 1.01000000E+00 1.44900000E+00 1.01000000E+00 1.34000000E+00 1.09000000E+00 1.46300000E+00 1.09000000E+00 1.52600000E+00 1.52600000E+00 1.52600000E+00 1.52600000E+00 1.09000000E+00 1.44900000E+00 1.52200000E+00 1.52600000E+00 1.25000000E+00 1.52200000E+00 1.33600000E+00 1.09000000E+00 1.81000000E+00 1.08000000E+00 1.40000000E+00 9.60000000E-01 1.36400000E+00 1.40900000E+00 1.51000000E+00 1.09000000E+00 1.41000000E+00 1.09000000E+00 1.47100000E+00 1.52600000E+00 1.41000000E+00 1.25000000E+00 1.61000000E+00 1.41000000E+00 1.41000000E+00 1.35400000E+00 1.08000000E+00 1.32400000E+00 1.33900000E+00 1.40400000E+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 %FLAG ANGLE_FORCE_CONSTANT %FORMAT(5E16.8) 8.00000000E+01 5.00000000E+01 5.00000000E+01 3.50000000E+01 4.00000000E+01 5.00000000E+01 6.30000000E+01 5.00000000E+01 5.00000000E+01 5.00000000E+01 5.00000000E+01 4.00000000E+01 8.00000000E+01 7.00000000E+01 5.00000000E+01 3.50000000E+01 5.00000000E+01 8.00000000E+01 8.00000000E+01 5.00000000E+01 3.50000000E+01 5.00000000E+01 4.00000000E+01 5.00000000E+01 5.00000000E+01 4.00000000E+01 5.00000000E+01 5.00000000E+01 4.00000000E+01 5.00000000E+01 5.00000000E+01 8.00000000E+01 6.30000000E+01 3.50000000E+01 7.00000000E+01 5.00000000E+01 5.00000000E+01 3.50000000E+01 5.00000000E+01 5.00000000E+01 5.00000000E+01 3.50000000E+01 5.00000000E+01 8.00000000E+01 6.30000000E+01 4.00000000E+01 5.00000000E+01 5.00000000E+01 4.00000000E+01 8.00000000E+01 5.00000000E+01 3.50000000E+01 5.00000000E+01 5.00000000E+01 6.30000000E+01 5.00000000E+01 4.00000000E+01 5.00000000E+01 3.50000000E+01 5.00000000E+01 4.00000000E+01 5.00000000E+01 8.00000000E+01 8.00000000E+01 3.50000000E+01 5.00000000E+01 6.30000000E+01 8.00000000E+01 7.00000000E+01 5.00000000E+01 5.00000000E+01 6.30000000E+01 8.00000000E+01 8.00000000E+01 5.00000000E+01 7.00000000E+01 6.30000000E+01 5.00000000E+01 3.50000000E+01 4.30000000E+01 5.00000000E+01 5.00000000E+01 5.00000000E+01 7.00000000E+01 5.00000000E+01 5.00000000E+01 6.30000000E+01 6.30000000E+01 6.30000000E+01 5.00000000E+01 7.00000000E+01 6.30000000E+01 4.00000000E+01 5.00000000E+01 5.00000000E+01 5.00000000E+01 5.50000000E+01 5.00000000E+01 5.00000000E+01 5.00000000E+01 3.50000000E+01 5.00000000E+01 5.00000000E+01 8.00000000E+01 5.00000000E+01 6.30000000E+01 4.00000000E+01 5.00000000E+01 5.50000000E+01 5.00000000E+01 8.00000000E+01 7.00000000E+01 1.00000000E+02 4.50000000E+01 5.00000000E+01 5.00000000E+01 5.50000000E+01 5.00000000E+01 5.00000000E+01 1.00000000E+02 5.00000000E+01 7.00000000E+01 7.00000000E+01 7.00000000E+01 6.30000000E+01 7.00000000E+01 7.00000000E+01 7.00000000E+01 7.00000000E+01 7.00000000E+01 7.00000000E+01 5.00000000E+01 7.00000000E+01 7.00000000E+01 5.00000000E+01 5.00000000E+01 7.00000000E+01 7.00000000E+01 7.00000000E+01 5.00000000E+01 5.00000000E+01 7.00000000E+01 7.00000000E+01 5.00000000E+01 5.00000000E+01 6.00000000E+01 1.40000000E+02 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 %FLAG ANGLE_EQUIL_VALUE %FORMAT(5E16.8) 2.14501057E+00 2.09439600E+00 2.12755727E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.93906163E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 2.10137732E+00 2.03505478E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.94080696E+00 1.94080696E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 2.06018753E+00 1.91113635E+00 1.91462701E+00 1.92160833E+00 2.09439600E+00 2.09439600E+00 2.09439600E+00 1.91113635E+00 1.91113635E+00 2.06647072E+00 2.15024656E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.94080696E+00 1.93906163E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91462701E+00 2.12755727E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.93906163E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 2.05948940E+00 1.91113635E+00 1.91113635E+00 1.91462701E+00 1.91462701E+00 2.09439600E+00 1.91113635E+00 1.93906163E+00 2.10137732E+00 2.03505478E+00 1.91113635E+00 1.91113635E+00 1.93906163E+00 1.91462701E+00 2.19911580E+00 1.91113635E+00 2.04203610E+00 1.93906163E+00 1.91113635E+00 1.91113635E+00 1.67551680E+00 1.91113635E+00 1.89542838E+00 2.09439600E+00 2.09439600E+00 1.97222290E+00 2.09439600E+00 2.09439600E+00 2.09439600E+00 2.09439600E+00 1.91113635E+00 2.09439600E+00 1.98967620E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.89368305E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.94080696E+00 1.91113635E+00 1.93906163E+00 1.91113635E+00 1.91113635E+00 1.89368305E+00 1.91113635E+00 2.19911580E+00 2.04203610E+00 1.88897066E+00 1.79070858E+00 1.91113635E+00 1.91113635E+00 1.89368305E+00 1.91113635E+00 1.91113635E+00 2.10312265E+00 2.01498349E+00 1.93731630E+00 2.25322103E+00 2.08217869E+00 2.04727209E+00 2.06996138E+00 2.15548255E+00 2.04727209E+00 2.22878641E+00 2.31081692E+00 1.92684432E+00 2.14762857E+00 1.83957782E+00 1.81165254E+00 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 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 %FLAG DIHEDRAL_FORCE_CONSTANT %FORMAT(5E16.8) 2.00000000E+00 2.50000000E+00 0.00000000E+00 1.80000000E+00 8.00000000E-01 0.00000000E+00 0.00000000E+00 2.70000000E-01 4.20000000E-01 4.90000000E-01 4.21000000E-01 1.74700000E+00 1.38000000E-01 1.60000000E-01 1.55555556E-01 1.50000000E-01 2.00000000E-01 2.00000000E-01 4.00000000E-01 1.53000000E-01 3.94000000E-01 1.61000000E+00 1.00000000E-02 6.79000000E-01 1.14500000E+00 2.56600000E+00 7.40000000E-02 6.80000000E-02 2.10000000E-02 3.09000000E-01 2.62000000E-01 8.00000000E-01 8.00000000E-02 8.50000000E-02 1.40000000E-02 2.65000000E-01 3.71000000E-01 9.08000000E-01 1.84800000E+00 2.86000000E-01 4.50000000E-01 1.58000000E+00 5.50000000E-01 2.40000000E+00 0.00000000E+00 3.39000000E-01 5.80000000E-02 5.80000000E-01 2.61000000E-01 1.06600000E+00 1.29000000E+00 6.14000000E-01 8.50000000E-02 1.15500000E+00 1.17600000E+00 7.35000000E-01 2.00000000E-03 0.00000000E+00 0.00000000E+00 1.56000000E-01 0.00000000E+00 3.27000000E-01 1.27000000E-01 1.00000000E-01 4.00000000E-02 8.00000000E-03 1.86000000E-01 9.42000000E-01 2.18000000E-01 2.00000000E+00 2.00000000E-01 2.50000000E-01 1.80000000E-01 6.68000000E-01 2.05000000E-01 1.02800000E+00 3.00000000E-03 1.28300000E+00 4.31000000E-01 5.70000000E-02 1.18000000E-01 8.57000000E-01 9.04000000E-01 3.46000000E-01 1.56000000E-01 7.02000000E-01 1.99000000E-01 8.56000000E-01 8.00000000E-03 7.65000000E-01 6.88000000E-01 4.41500000E+00 6.00000000E-02 8.32000000E-01 4.00000000E-03 2.52400000E+00 3.25000000E-01 4.43000000E+00 2.20000000E-02 6.34000000E-01 2.60000000E-02 1.56100000E+00 1.43000000E-01 2.50000000E-01 2.97000000E-01 6.13000000E-01 2.02000000E-01 1.60000000E-02 1.75000000E-01 2.44000000E-01 1.89300000E+00 1.98000000E-01 3.62500000E+00 8.58000000E-01 2.80000000E-02 5.60000000E-02 4.62000000E-01 5.72800000E+00 1.21000000E-01 4.59000000E-01 1.26000000E-01 1.40000000E-01 5.36000000E-01 5.99800000E+00 1.10000000E-02 9.90000000E-02 8.41000000E-01 2.83000000E-01 1.83000000E-01 5.43000000E-01 2.40000000E-02 1.64000000E-01 1.49000000E-01 2.88000000E-01 3.81000000E-01 4.00000000E-02 1.37300000E+00 5.22000000E-01 3.14600000E+00 3.90000000E-02 2.50000000E-01 7.67000000E-01 2.08000000E-01 2.20000000E-01 1.00000000E-02 1.66666667E-01 1.02300000E+00 9.00000000E-02 1.06000000E-01 1.20000000E-02 4.41000000E-01 7.10000000E-01 3.00700000E+00 2.03000000E-01 1.99000000E-01 8.70000000E-02 3.69000000E-01 1.07000000E-01 2.95000000E-01 1.59000000E-01 1.29000000E-01 3.30000000E-02 4.40000000E-01 3.75000000E-01 6.15000000E-01 1.22000000E-01 8.93000000E-01 1.01000000E-01 1.35300000E+00 1.81000000E-01 5.80000000E-01 6.00000000E-02 9.80000000E-02 1.73000000E-01 9.06000000E-01 9.90000000E-02 7.61000000E-01 5.30000000E-02 7.15000000E-01 9.80000000E-02 2.51000000E-01 2.79000000E-01 1.84000000E-01 2.10000000E-02 7.30000000E-01 1.19000000E-01 1.23100000E+00 9.20000000E-02 1.20000000E+00 1.17500000E+00 1.44000000E-01 3.83333333E-01 6.80000000E+00 3.50000000E+00 4.80000000E+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 4.00000000E+00 1.85000000E+00 6.65000000E+00 1.45000000E+00 1.05000000E+01 1.10000000E+00 1.00000000E+00 %FLAG DIHEDRAL_PERIODICITY %FORMAT(5E16.8) 1.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 3.00000000E+00 3.00000000E+00 3.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 1.00000000E+00 3.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 2.00000000E+00 3.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 2.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 2.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 3.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 2.00000000E+00 2.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 2.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 1.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 3.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 2.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 2.00000000E+00 2.00000000E+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 3.00000000E+00 1.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 %FLAG DIHEDRAL_PHASE %FORMAT(5E16.8) 0.00000000E+00 3.14159400E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 3.14159400E+00 3.14159400E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 0.00000000E+00 3.14159400E+00 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 0.00000000E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 0.00000000E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 0.00000000E+00 3.14159400E+00 0.00000000E+00 3.14159400E+00 0.00000000E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 -2.36666748E+00 2.53247383E+00 -0.00000000E+00 1.45560522E+00 -3.12239537E+00 3.04036486E+00 -1.20427770E-01 2.12930260E-01 3.14159400E+00 3.14159400E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 3.14159400E+00 3.14159400E+00 0.00000000E+00 0.00000000E+00 3.14159400E+00 3.14159400E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 3.14159400E+00 0.00000000E+00 0.00000000E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 0.00000000E+00 0.00000000E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 0.00000000E+00 -3.07527146E+00 -2.81347196E+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 -4.67748440E-01 -1.86750310E-01 -1.06465130E-01 -2.15722788E+00 0.00000000E+00 3.14159400E+00 0.00000000E+00 3.14159400E+00 3.14159400E+00 3.13461268E+00 -5.75958900E-02 3.14159400E+00 3.14159400E+00 3.14159400E+00 0.00000000E+00 -5.06145700E-02 -3.70009960E-01 3.14159400E+00 3.14159400E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 3.14159400E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 3.14159400E+00 0.00000000E+00 0.00000000E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 3.14159400E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 3.14159400E+00 0.00000000E+00 0.00000000E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.03687420E+00 2.70526150E-01 -8.02851800E-02 -2.93215440E-01 -3.13810334E+00 3.13635801E+00 -2.79252800E-02 8.02851800E-02 3.14159400E+00 3.14159400E+00 3.14159400E+00 0.00000000E+00 -3.12239537E+00 2.00189351E+00 3.07876212E+00 3.10494207E+00 3.12763136E+00 -2.95833435E+00 3.14159400E+00 3.14159400E+00 0.00000000E+00 0.00000000E+00 3.14159400E+00 0.00000000E+00 3.14159400E+00 0.00000000E+00 -2.32128890E-01 -2.74016810E-01 -2.47836860E-01 -4.55531130E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 3.14159400E+00 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 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 %FLAG SCEE_SCALE_FACTOR %FORMAT(5E16.8) 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 %FLAG SCNB_SCALE_FACTOR %FORMAT(5E16.8) 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 %FLAG SOLTY %FORMAT(5E16.8) 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 %FLAG LENNARD_JONES_ACOEF %FORMAT(5E16.8) 9.44293233E+05 2.12601181E+03 1.39982777E-01 9.95480466E+05 2.56678134E+03 1.04308023E+06 2.01791425E+04 9.14716912E+00 2.27401052E+04 2.01823541E+02 8.96776989E+04 1.07193646E+02 9.71708117E+04 1.41077189E+03 7.51607703E+03 8.82619071E+05 2.27577561E+03 9.24822270E+05 2.01619733E+04 8.61541883E+04 8.19971662E+05 6.06829342E+05 1.02595236E+03 6.47841731E+05 1.12780457E+04 5.44261042E+04 5.74393458E+05 3.79876399E+05 6.20665997E+04 5.94667300E+01 6.78771368E+04 8.79040886E+02 4.98586848E+03 6.01816484E+04 3.69471530E+04 3.25969625E+03 2.01562190E+06 5.97860700E+03 2.09861767E+06 4.93469320E+04 2.02461849E+05 1.86068943E+06 1.32911052E+06 1.42791446E+05 4.19430400E+06 7.91627154E+04 8.90987508E+01 8.59947003E+04 1.21014911E+03 6.55825601E+03 7.62451550E+04 4.77908183E+04 4.33325458E+03 1.79647996E+05 5.71629601E+03 7.44975864E+05 1.40467023E+03 7.91544157E+05 1.45985502E+04 6.82786631E+04 7.01803794E+05 4.71003287E+05 4.66922514E+04 1.61587928E+06 6.00750218E+04 5.81803229E+05 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 5.89818288E+05 1.03954408E+03 6.28541240E+05 1.11851919E+04 5.33379252E+04 5.57281136E+05 3.70622491E+05 3.63097246E+04 1.28707992E+06 4.68711055E+04 4.58874091E+05 0.00000000E+00 3.61397723E+05 4.24594555E+04 3.20009193E+01 4.68930885E+04 5.37190941E+02 3.25969625E+03 4.15766412E+04 2.47595516E+04 2.09814978E+03 9.96589437E+04 2.82099197E+03 3.15360051E+04 0.00000000E+00 2.44050579E+04 1.32801250E+03 5.46147253E+04 4.90239937E+01 5.98885646E+04 7.50063100E+02 4.33325458E+03 5.30987710E+04 3.23283631E+04 2.82099197E+03 1.26338489E+05 3.76169105E+03 4.09427581E+04 0.00000000E+00 3.17965283E+04 1.80748014E+03 2.43828624E+03 2.45746558E+06 8.41065839E+03 2.54188684E+06 6.46047669E+04 2.54238516E+05 2.25370349E+06 1.64263766E+06 1.81087383E+05 5.04534981E+06 2.26202022E+05 1.98683736E+06 0.00000000E+00 1.58759528E+06 1.27716552E+05 1.60682053E+05 6.02589390E+06 6.58473870E+04 6.63368273E+01 7.18621074E+04 9.55000044E+02 5.34045360E+03 6.37148278E+04 3.93690817E+04 3.50301067E+03 1.50848032E+05 4.64559155E+03 4.96707306E+04 0.00000000E+00 3.86654993E+04 2.26273716E+03 3.03448006E+03 1.90880272E+05 3.76169105E+03 %FLAG LENNARD_JONES_BCOEF %FORMAT(5E16.8) 8.01323529E+02 2.09604198E+01 9.37598976E-02 7.36907417E+02 2.06278363E+01 6.75612247E+02 6.45756063E+01 7.57919667E-01 6.13981767E+01 3.56012899E+00 1.36131731E+02 2.59456373E+00 1.26919150E+02 9.41257003E+00 2.17257828E+01 6.53361429E+02 1.82891803E+01 5.99015525E+02 5.44372326E+01 1.12529845E+02 5.31102864E+02 6.77220874E+02 1.53505284E+01 6.26720080E+02 5.08951803E+01 1.11805549E+02 5.55666448E+02 5.64885984E+02 1.13252061E+02 1.93248820E+00 1.06076943E+02 7.42992380E+00 1.76949863E+01 9.40505980E+01 9.21192136E+01 1.43076527E+01 1.28923404E+03 3.87070358E+01 1.17824605E+03 1.11203892E+02 2.25248294E+02 1.04466382E+03 1.10369829E+03 1.89165096E+02 2.04800000E+03 1.26451907E+02 2.33864085E+00 1.18043746E+02 8.61880722E+00 2.00642027E+01 1.04660679E+02 1.03580945E+02 1.63092814E+01 2.09772716E+02 1.85196588E+01 7.50714425E+02 1.79702257E+01 6.93079947E+02 5.79323581E+01 1.25287818E+02 6.14502845E+02 6.29300710E+02 1.03606917E+02 1.21753341E+03 1.16187983E+02 6.99746810E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 6.33305958E+02 1.46567808E+01 5.85549272E+02 4.80771660E+01 1.04986921E+02 5.19163331E+02 5.29252520E+02 8.66220817E+01 1.03022002E+03 9.73010751E+01 5.89183300E+02 0.00000000E+00 4.95732238E+02 9.36708259E+01 1.41762397E+00 8.81685417E+01 5.80823477E+00 1.43076527E+01 7.81725398E+01 7.54103785E+01 1.14788417E+01 1.58033097E+02 1.31591746E+01 8.51470647E+01 0.00000000E+00 7.10161395E+01 9.13231543E+00 1.05031585E+02 1.73473071E+00 9.85097219E+01 6.78541827E+00 1.63092814E+01 8.73413012E+01 8.51921330E+01 1.31591746E+01 1.75916126E+02 1.50233639E+01 9.59185913E+01 0.00000000E+00 8.01410250E+01 1.05333009E+01 1.20953369E+01 1.34630496E+03 4.34187588E+01 1.22636552E+03 1.20335756E+02 2.38716853E+02 1.08732781E+03 1.16041466E+03 2.01468199E+02 2.12431120E+03 2.22617115E+02 1.27682121E+03 0.00000000E+00 1.08210555E+03 1.69194406E+02 1.87626421E+02 2.19561270E+03 1.15327881E+02 2.01792524E+00 1.07908863E+02 7.65648470E+00 1.81057616E+01 9.56748258E+01 9.40124296E+01 1.46638650E+01 1.92224012E+02 1.66953734E+01 1.05648788E+02 0.00000000E+00 8.83744760E+01 1.17854122E+01 1.34932874E+01 2.04498832E+02 1.50233639E+01 %FLAG BONDS_INC_HYDROGEN %FORMAT(10I8) 36 39 3 36 42 3 36 45 3 24 27 3 24 30 3 24 33 3 18 21 4 12 15 6 0 3 9 0 6 9 0 9 9 93 96 3 93 99 3 93 102 3 84 87 11 84 90 11 72 75 3 72 78 3 72 81 3 66 69 4 60 63 14 54 57 15 168 171 17 168 174 17 159 162 17 159 165 17 150 153 17 141 144 19 141 147 19 132 135 21 132 138 21 123 126 21 123 129 21 117 120 14 111 114 15 189 192 14 189 195 14 183 186 15 234 237 14 225 228 3 225 231 3 216 219 3 216 222 3 207 210 26 207 213 26 258 261 3 258 264 3 258 267 3 252 255 14 246 249 15 282 285 14 282 288 14 276 279 15 324 327 15 324 330 15 309 312 11 309 315 11 303 306 14 297 300 15 366 369 15 366 372 15 351 354 11 351 357 11 345 348 14 339 342 15 393 396 11 393 399 11 387 390 14 381 384 15 438 441 32 429 432 33 429 435 33 423 426 14 417 420 15 507 510 17 507 513 17 498 501 17 498 504 17 489 492 17 480 483 19 480 486 19 471 474 21 471 477 21 462 465 21 462 468 21 456 459 14 450 453 15 561 564 3 561 567 3 561 570 3 552 555 11 552 558 11 540 543 3 540 546 3 540 549 3 534 537 4 528 531 14 522 525 15 630 633 35 624 627 35 618 621 37 609 612 35 603 606 35 591 594 3 591 597 3 585 588 14 579 582 15 672 675 3 672 678 3 672 681 3 660 663 3 660 666 3 660 669 3 654 657 4 648 651 14 642 645 15 696 699 14 696 702 14 690 693 15 738 741 15 738 744 15 723 726 11 723 729 11 717 720 14 711 714 15 792 795 3 792 798 3 792 801 3 780 783 3 780 786 3 780 789 3 774 777 4 765 768 11 765 771 11 759 762 14 753 756 15 840 843 14 831 834 3 831 837 3 822 825 3 822 828 3 813 816 26 813 819 26 882 885 14 873 876 3 873 879 3 864 867 3 864 870 3 855 858 26 855 861 26 906 909 11 906 912 11 900 903 14 894 897 15 969 972 3 969 975 3 969 978 3 960 963 11 960 966 11 948 951 3 948 954 3 948 957 3 942 945 4 936 939 14 930 933 15 1044 1047 17 1044 1050 17 1035 1038 17 1035 1041 17 1026 1029 17 1017 1020 19 1017 1023 19 1008 1011 21 1008 1014 21 999 1002 21 999 1005 21 993 996 14 987 990 15 1089 1092 37 1077 1080 3 1077 1083 3 1077 1086 3 1071 1074 41 1065 1068 14 1059 1062 15 1149 1152 9 1149 1155 9 1149 1158 9 1140 1143 43 1140 1146 43 1131 1134 21 1131 1137 21 1122 1125 21 1122 1128 21 1113 1116 21 1113 1119 21 1107 1110 14 1101 1104 15 1179 1182 11 1179 1185 11 1173 1176 14 1167 1170 15 1242 1245 3 1242 1248 3 1242 1251 3 1233 1236 11 1233 1239 11 1221 1224 3 1221 1227 3 1221 1230 3 1215 1218 4 1209 1212 14 1203 1206 15 1281 1284 11 1281 1287 11 1272 1275 11 1272 1278 11 1266 1269 14 1260 1263 15 1317 1320 11 1317 1323 11 1311 1314 14 1305 1308 15 1371 1374 3 1371 1377 3 1371 1380 3 1359 1362 3 1359 1365 3 1359 1368 3 1353 1356 4 1347 1350 14 1341 1344 15 1437 1440 35 1431 1434 35 1425 1428 35 1419 1422 35 1413 1416 35 1401 1404 3 1401 1407 3 1395 1398 14 1389 1392 15 1470 1473 37 1461 1464 33 1461 1467 33 1455 1458 14 1449 1452 15 1530 1533 9 1530 1536 9 1530 1539 9 1521 1524 43 1521 1527 43 1512 1515 21 1512 1518 21 1503 1506 21 1503 1509 21 1494 1497 21 1494 1500 21 1488 1491 14 1482 1485 15 1599 1602 35 1593 1596 35 1587 1590 37 1578 1581 35 1572 1575 35 1560 1563 3 1560 1566 3 1554 1557 14 1548 1551 15 1617 1620 14 1617 1623 14 1611 1614 15 1644 1647 3 1644 1650 3 1644 1653 3 1638 1641 14 1632 1635 15 1701 1704 3 1701 1707 3 1701 1710 3 1692 1695 11 1692 1698 11 1680 1683 3 1680 1686 3 1680 1689 3 1674 1677 4 1668 1671 14 1662 1665 15 1776 1779 17 1776 1782 17 1767 1770 17 1767 1773 17 1758 1761 17 1749 1752 19 1749 1755 19 1740 1743 21 1740 1746 21 1731 1734 21 1731 1737 21 1725 1728 14 1719 1722 15 1803 1806 11 1803 1809 11 1797 1800 14 1791 1794 15 1866 1869 3 1866 1872 3 1866 1875 3 1857 1860 11 1857 1863 11 1845 1848 3 1845 1851 3 1845 1854 3 1839 1842 4 1833 1836 14 1827 1830 15 1896 1899 11 1896 1902 11 1890 1893 14 1884 1887 15 1959 1962 3 1959 1965 3 1959 1968 3 1947 1950 3 1947 1953 3 1947 1956 3 1941 1944 4 1932 1935 11 1932 1938 11 1926 1929 14 1920 1923 15 2025 2028 9 2025 2031 9 2025 2034 9 2016 2019 43 2016 2022 43 2007 2010 21 2007 2013 21 1998 2001 21 1998 2004 21 1989 1992 21 1989 1995 21 1983 1986 14 1977 1980 15 2070 2073 15 2070 2076 15 2055 2058 11 2055 2061 11 2049 2052 14 2043 2046 15 2142 2145 17 2142 2148 17 2133 2136 17 2133 2139 17 2124 2127 17 2115 2118 19 2115 2121 19 2106 2109 21 2106 2112 21 2097 2100 21 2097 2103 21 2091 2094 14 2085 2088 15 2214 2217 17 2214 2220 17 2205 2208 17 2205 2211 17 2196 2199 17 2187 2190 19 2187 2193 19 2178 2181 21 2178 2184 21 2169 2172 21 2169 2175 21 2163 2166 14 2157 2160 15 2235 2238 14 2235 2241 14 2229 2232 15 2256 2259 14 2256 2262 14 2250 2253 15 2301 2304 14 2292 2295 3 2292 2298 3 2283 2286 3 2283 2289 3 2274 2277 26 2274 2280 26 2343 2346 14 2334 2337 3 2334 2340 3 2325 2328 3 2325 2331 3 2316 2319 26 2316 2322 26 2403 2406 35 2397 2400 35 2391 2394 35 2385 2388 35 2379 2382 35 2367 2370 3 2367 2373 3 2361 2364 14 2355 2358 15 2427 2430 3 2427 2433 3 2427 2436 3 2421 2424 14 2415 2418 15 2493 2496 35 2487 2490 35 2481 2484 35 2475 2478 35 2469 2472 35 2457 2460 3 2457 2463 3 2451 2454 14 2445 2448 15 2535 2538 3 2535 2541 3 2535 2544 3 2523 2526 3 2523 2529 3 2523 2532 3 2517 2520 4 2511 2514 14 2505 2508 15 2574 2577 11 2574 2580 11 2565 2568 11 2565 2571 11 2559 2562 14 2553 2556 15 2646 2649 35 2640 2643 35 2634 2637 35 2628 2631 35 2622 2625 35 2610 2613 3 2610 2616 3 2604 2607 14 2598 2601 15 2679 2682 11 2679 2685 11 2670 2673 11 2670 2676 11 2664 2667 14 2658 2661 15 2715 2718 11 2715 2721 11 2709 2712 14 2703 2706 15 2769 2772 14 2760 2763 3 2760 2766 3 2751 2754 3 2751 2757 3 2742 2745 26 2742 2748 26 2838 2841 17 2838 2844 17 2829 2832 17 2829 2835 17 2820 2823 17 2811 2814 19 2811 2817 19 2802 2805 21 2802 2808 21 2793 2796 21 2793 2799 21 2787 2790 14 2781 2784 15 2865 2868 11 2865 2871 11 2859 2862 14 2853 2856 15 2901 2904 3 2901 2907 3 2901 2910 3 2895 2898 14 2889 2892 15 2940 2943 11 2940 2946 11 2931 2934 11 2931 2937 11 2925 2928 14 2919 2922 15 2976 2979 11 2976 2982 11 2970 2973 14 2964 2967 15 3012 3015 3 3012 3018 3 3012 3021 3 3006 3009 14 3000 3003 15 3060 3063 3 3060 3066 3 3060 3069 3 3048 3051 3 3048 3054 3 3048 3057 3 3042 3045 4 3036 3039 14 3030 3033 15 3099 3102 37 3090 3093 33 3090 3096 33 3084 3087 14 3078 3081 15 3117 3120 14 3117 3123 14 3111 3114 15 3189 3192 17 3189 3195 17 3180 3183 17 3180 3186 17 3171 3174 17 3162 3165 19 3162 3168 19 3153 3156 21 3153 3159 21 3144 3147 21 3144 3150 21 3138 3141 14 3132 3135 15 3216 3219 11 3216 3222 11 3210 3213 14 3204 3207 15 3246 3249 14 3246 3252 14 3240 3243 15 3312 3315 35 3306 3309 35 3300 3303 37 3291 3294 35 3285 3288 35 3273 3276 3 3273 3279 3 3267 3270 14 3261 3264 15 3336 3339 11 3336 3342 11 3330 3333 14 3324 3327 15 3411 3414 35 3405 3408 35 3399 3402 37 3390 3393 35 3384 3387 35 3372 3375 3 3372 3378 3 3366 3369 14 3360 3363 15 3435 3438 11 3435 3441 11 3429 3432 14 3423 3426 15 3465 3468 14 3465 3471 14 3459 3462 15 3531 3534 35 3525 3528 35 3519 3522 37 3510 3513 35 3504 3507 35 3492 3495 3 3492 3498 3 3486 3489 14 3480 3483 15 3600 3603 17 3600 3606 17 3591 3594 17 3591 3597 17 3582 3585 17 3573 3576 19 3573 3579 19 3564 3567 21 3564 3570 21 3555 3558 21 3555 3561 21 3549 3552 14 3543 3546 15 3654 3657 3 3654 3660 3 3654 3663 3 3642 3645 3 3642 3648 3 3642 3651 3 3636 3639 4 3627 3630 11 3627 3633 11 3621 3624 14 3615 3618 15 3729 3732 17 3729 3735 17 3720 3723 17 3720 3726 17 3711 3714 17 3702 3705 19 3702 3708 19 3693 3696 21 3693 3699 21 3684 3687 21 3684 3690 21 3678 3681 14 3672 3675 15 3774 3777 3 3774 3780 3 3774 3783 3 3762 3765 3 3762 3768 3 3762 3771 3 3756 3759 4 3750 3753 14 3744 3747 15 3813 3816 11 3813 3819 11 3804 3807 11 3804 3810 11 3798 3801 14 3792 3795 15 3885 3888 35 3879 3882 35 3873 3876 35 3867 3870 35 3861 3864 35 3849 3852 3 3849 3855 3 3843 3846 14 3837 3840 15 3927 3930 14 3918 3921 3 3918 3924 3 3909 3912 3 3909 3915 3 3900 3903 26 3900 3906 26 4026 4029 37 4020 4023 26 4014 4017 26 4002 4005 52 3990 3993 17 3990 3996 17 3975 3978 58 3966 3969 62 3957 3960 26 3948 3951 26 3948 3954 26 3942 3945 37 4125 4128 37 4119 4122 26 4113 4116 26 4101 4104 52 4089 4092 17 4089 4095 17 4074 4077 58 4065 4068 62 4056 4059 26 4047 4050 26 4047 4053 26 4218 4221 37 4212 4215 26 4206 4209 26 4188 4191 17 4188 4194 17 4179 4182 66 4173 4176 68 4164 4167 62 4155 4158 26 4146 4149 26 4146 4152 26 4317 4320 37 4311 4314 26 4305 4308 26 4293 4296 52 4281 4284 17 4281 4287 17 4266 4269 58 4257 4260 62 4248 4251 26 4239 4242 26 4239 4245 26 4416 4419 37 4410 4413 26 4404 4407 26 4392 4395 52 4380 4383 17 4380 4386 17 4365 4368 58 4356 4359 62 4347 4350 26 4338 4341 26 4338 4344 26 4521 4524 37 4515 4518 37 4509 4512 26 4503 4506 26 4491 4494 52 4479 4482 17 4479 4485 17 4464 4467 58 4455 4458 62 4446 4449 26 4437 4440 26 4437 4443 26 %FLAG BONDS_WITHOUT_HYDROGEN %FORMAT(10I8) 48 51 1 48 54 2 18 24 5 18 36 5 12 18 7 12 48 8 0 12 10 105 108 1 105 111 2 84 93 12 66 72 5 66 84 13 60 66 7 60 105 8 54 60 16 177 180 1 177 183 2 156 159 18 156 168 18 150 156 18 141 150 20 132 141 22 123 132 22 117 123 23 117 177 8 111 117 16 198 201 1 198 204 2 189 198 8 183 189 16 240 243 1 240 246 2 234 240 8 225 234 24 216 225 25 207 216 25 204 207 27 204 234 16 270 273 1 270 276 2 252 258 24 252 270 8 246 252 16 291 294 1 291 297 2 282 291 8 276 282 16 333 336 1 333 339 2 318 321 1 318 324 2 309 318 28 303 309 29 303 333 8 297 303 16 375 378 1 375 381 2 360 363 1 360 366 2 351 360 28 345 351 29 345 375 8 339 345 16 411 414 1 411 417 2 402 405 30 402 408 30 393 402 31 387 393 29 387 411 8 381 387 16 444 447 1 444 450 2 429 438 34 423 429 29 423 444 8 417 423 16 516 519 1 516 522 2 495 498 18 495 507 18 489 495 18 480 489 20 471 480 22 462 471 22 456 462 23 456 516 8 450 456 16 573 576 1 573 579 2 552 561 12 534 540 5 534 552 13 528 534 7 528 573 8 522 528 16 636 639 1 636 642 2 624 630 36 615 618 38 615 624 39 609 615 39 603 609 36 600 603 36 600 630 36 591 600 40 585 591 24 585 636 8 579 585 16 684 687 1 684 690 2 654 660 5 654 672 5 648 654 7 648 684 8 642 648 16 705 708 1 705 711 2 696 705 8 690 696 16 747 750 1 747 753 2 732 735 1 732 738 2 723 732 28 717 723 29 717 747 8 711 717 16 804 807 1 804 810 2 774 780 5 774 792 5 765 774 13 759 765 29 759 804 8 753 759 16 846 849 1 846 852 2 840 846 8 831 840 24 822 831 25 813 822 25 810 813 27 810 840 16 888 891 1 888 894 2 882 888 8 873 882 24 864 873 25 855 864 25 852 855 27 852 882 16 924 927 1 924 930 2 915 918 30 915 921 30 906 915 31 900 906 29 900 924 8 894 900 16 981 984 1 981 987 2 960 969 12 942 948 5 942 960 13 936 942 7 936 981 8 930 936 16 1053 1056 1 1053 1059 2 1032 1035 18 1032 1044 18 1026 1032 18 1017 1026 20 1008 1017 22 999 1008 22 993 999 23 993 1053 8 987 993 16 1095 1098 1 1095 1101 2 1071 1077 5 1071 1089 42 1065 1071 7 1065 1095 8 1059 1065 16 1161 1164 1 1161 1167 2 1140 1149 44 1131 1140 22 1122 1131 22 1113 1122 22 1107 1113 23 1107 1161 8 1101 1107 16 1197 1200 1 1197 1203 2 1188 1191 30 1188 1194 30 1179 1188 31 1173 1179 29 1173 1197 8 1167 1173 16 1254 1257 1 1254 1260 2 1233 1242 12 1215 1221 5 1215 1233 13 1209 1215 7 1209 1254 8 1203 1209 16 1299 1302 1 1299 1305 2 1290 1293 30 1290 1296 30 1281 1290 31 1272 1281 45 1266 1272 29 1266 1299 8 1260 1266 16 1335 1338 1 1335 1341 2 1326 1329 30 1326 1332 30 1317 1326 31 1311 1317 29 1311 1335 8 1305 1311 16 1383 1386 1 1383 1389 2 1353 1359 5 1353 1371 5 1347 1353 7 1347 1383 8 1341 1347 16 1443 1446 1 1443 1449 2 1431 1437 36 1425 1431 36 1419 1425 36 1413 1419 36 1410 1413 36 1410 1437 36 1401 1410 40 1395 1401 24 1395 1443 8 1389 1395 16 1476 1479 1 1476 1482 2 1461 1470 46 1455 1461 29 1455 1476 8 1449 1455 16 1542 1545 1 1542 1548 2 1521 1530 44 1512 1521 22 1503 1512 22 1494 1503 22 1488 1494 23 1488 1542 8 1482 1488 16 1605 1608 1 1605 1611 2 1593 1599 36 1584 1587 38 1584 1593 39 1578 1584 39 1572 1578 36 1569 1572 36 1569 1599 36 1560 1569 40 1554 1560 24 1554 1605 8 1548 1554 16 1626 1629 1 1626 1632 2 1617 1626 8 1611 1617 16 1656 1659 1 1656 1662 2 1638 1644 24 1638 1656 8 1632 1638 16 1713 1716 1 1713 1719 2 1692 1701 12 1674 1680 5 1674 1692 13 1668 1674 7 1668 1713 8 1662 1668 16 1785 1788 1 1785 1791 2 1764 1767 18 1764 1776 18 1758 1764 18 1749 1758 20 1740 1749 22 1731 1740 22 1725 1731 23 1725 1785 8 1719 1725 16 1821 1824 1 1821 1827 2 1812 1815 30 1812 1818 30 1803 1812 31 1797 1803 29 1797 1821 8 1791 1797 16 1878 1881 1 1878 1884 2 1857 1866 12 1839 1845 5 1839 1857 13 1833 1839 7 1833 1878 8 1827 1833 16 1914 1917 1 1914 1920 2 1905 1908 30 1905 1911 30 1896 1905 31 1890 1896 29 1890 1914 8 1884 1890 16 1971 1974 1 1971 1977 2 1941 1947 5 1941 1959 5 1932 1941 13 1926 1932 29 1926 1971 8 1920 1926 16 2037 2040 1 2037 2043 2 2016 2025 44 2007 2016 22 1998 2007 22 1989 1998 22 1983 1989 23 1983 2037 8 1977 1983 16 2079 2082 1 2079 2085 2 2064 2067 1 2064 2070 2 2055 2064 28 2049 2055 29 2049 2079 8 2043 2049 16 2151 2154 1 2151 2157 2 2130 2133 18 2130 2142 18 2124 2130 18 2115 2124 20 2106 2115 22 2097 2106 22 2091 2097 23 2091 2151 8 2085 2091 16 2223 2226 1 2223 2229 2 2202 2205 18 2202 2214 18 2196 2202 18 2187 2196 20 2178 2187 22 2169 2178 22 2163 2169 23 2163 2223 8 2157 2163 16 2244 2247 1 2244 2250 2 2235 2244 8 2229 2235 16 2265 2268 1 2265 2271 2 2256 2265 8 2250 2256 16 2307 2310 1 2307 2313 2 2301 2307 8 2292 2301 24 2283 2292 25 2274 2283 25 2271 2274 27 2271 2301 16 2349 2352 1 2349 2355 2 2343 2349 8 2334 2343 24 2325 2334 25 2316 2325 25 2313 2316 27 2313 2343 16 2409 2412 1 2409 2415 2 2397 2403 36 2391 2397 36 2385 2391 36 2379 2385 36 2376 2379 36 2376 2403 36 2367 2376 40 2361 2367 24 2361 2409 8 2355 2361 16 2439 2442 1 2439 2445 2 2421 2427 24 2421 2439 8 2415 2421 16 2499 2502 1 2499 2505 2 2487 2493 36 2481 2487 36 2475 2481 36 2469 2475 36 2466 2469 36 2466 2493 36 2457 2466 40 2451 2457 24 2451 2499 8 2445 2451 16 2547 2550 1 2547 2553 2 2517 2523 5 2517 2535 5 2511 2517 7 2511 2547 8 2505 2511 16 2592 2595 1 2592 2598 2 2583 2586 30 2583 2589 30 2574 2583 31 2565 2574 45 2559 2565 29 2559 2592 8 2553 2559 16 2652 2655 1 2652 2658 2 2640 2646 36 2634 2640 36 2628 2634 36 2622 2628 36 2619 2622 36 2619 2646 36 2610 2619 40 2604 2610 24 2604 2652 8 2598 2604 16 2697 2700 1 2697 2703 2 2688 2691 30 2688 2694 30 2679 2688 31 2670 2679 45 2664 2670 29 2664 2697 8 2658 2664 16 2733 2736 1 2733 2739 2 2724 2727 30 2724 2730 30 2715 2724 31 2709 2715 29 2709 2733 8 2703 2709 16 2775 2778 1 2775 2781 2 2769 2775 8 2760 2769 24 2751 2760 25 2742 2751 25 2739 2742 27 2739 2769 16 2847 2850 1 2847 2853 2 2826 2829 18 2826 2838 18 2820 2826 18 2811 2820 20 2802 2811 22 2793 2802 22 2787 2793 23 2787 2847 8 2781 2787 16 2883 2886 1 2883 2889 2 2874 2877 30 2874 2880 30 2865 2874 31 2859 2865 29 2859 2883 8 2853 2859 16 2913 2916 1 2913 2919 2 2895 2901 24 2895 2913 8 2889 2895 16 2958 2961 1 2958 2964 2 2949 2952 30 2949 2955 30 2940 2949 31 2931 2940 45 2925 2931 29 2925 2958 8 2919 2925 16 2994 2997 1 2994 3000 2 2985 2988 30 2985 2991 30 2976 2985 31 2970 2976 29 2970 2994 8 2964 2970 16 3024 3027 1 3024 3030 2 3006 3012 24 3006 3024 8 3000 3006 16 3072 3075 1 3072 3078 2 3042 3048 5 3042 3060 5 3036 3042 7 3036 3072 8 3030 3036 16 3105 3108 1 3105 3111 2 3090 3099 46 3084 3090 29 3084 3105 8 3078 3084 16 3126 3129 1 3126 3132 2 3117 3126 8 3111 3117 16 3198 3201 1 3198 3204 2 3177 3180 18 3177 3189 18 3171 3177 18 3162 3171 20 3153 3162 22 3144 3153 22 3138 3144 23 3138 3198 8 3132 3138 16 3234 3237 1 3234 3240 2 3225 3228 30 3225 3231 30 3216 3225 31 3210 3216 29 3210 3234 8 3204 3210 16 3255 3258 1 3255 3261 2 3246 3255 8 3240 3246 16 3318 3321 1 3318 3324 2 3306 3312 36 3297 3300 38 3297 3306 39 3291 3297 39 3285 3291 36 3282 3285 36 3282 3312 36 3273 3282 40 3267 3273 24 3267 3318 8 3261 3267 16 3354 3357 1 3354 3360 2 3345 3348 30 3345 3351 30 3336 3345 31 3330 3336 29 3330 3354 8 3324 3330 16 3417 3420 1 3417 3423 2 3405 3411 36 3396 3399 38 3396 3405 39 3390 3396 39 3384 3390 36 3381 3384 36 3381 3411 36 3372 3381 40 3366 3372 24 3366 3417 8 3360 3366 16 3453 3456 1 3453 3459 2 3444 3447 30 3444 3450 30 3435 3444 31 3429 3435 29 3429 3453 8 3423 3429 16 3474 3477 1 3474 3480 2 3465 3474 8 3459 3465 16 3537 3540 1 3537 3543 2 3525 3531 36 3516 3519 38 3516 3525 39 3510 3516 39 3504 3510 36 3501 3504 36 3501 3531 36 3492 3501 40 3486 3492 24 3486 3537 8 3480 3486 16 3609 3612 1 3609 3615 2 3588 3591 18 3588 3600 18 3582 3588 18 3573 3582 20 3564 3573 22 3555 3564 22 3549 3555 23 3549 3609 8 3543 3549 16 3666 3669 1 3666 3672 2 3636 3642 5 3636 3654 5 3627 3636 13 3621 3627 29 3621 3666 8 3615 3621 16 3738 3741 1 3738 3744 2 3717 3720 18 3717 3729 18 3711 3717 18 3702 3711 20 3693 3702 22 3684 3693 22 3678 3684 23 3678 3738 8 3672 3678 16 3786 3789 1 3786 3792 2 3756 3762 5 3756 3774 5 3750 3756 7 3750 3786 8 3744 3750 16 3831 3834 1 3831 3837 2 3822 3825 30 3822 3828 30 3813 3822 31 3804 3813 45 3798 3804 29 3798 3831 8 3792 3798 16 3891 3894 1 3891 3897 2 3879 3885 36 3873 3879 36 3867 3873 36 3861 3867 36 3858 3861 36 3858 3885 36 3849 3858 40 3843 3849 24 3843 3891 8 3837 3843 16 3933 3936 47 3933 3939 47 3927 3933 8 3918 3927 24 3909 3918 25 3900 3909 25 3897 3900 27 3897 3927 16 4032 4035 48 4020 4026 49 4014 4020 25 4014 4032 50 4008 4011 51 4002 4008 53 3999 4002 53 3987 3990 18 3987 3999 54 3984 3987 55 3984 4011 56 3981 3984 57 3975 3981 59 3972 3975 60 3972 4011 61 3966 3972 63 3966 4020 25 3963 3966 50 3957 3963 50 3957 4014 25 3948 3957 25 3945 3948 49 4131 4134 48 4119 4125 49 4113 4119 25 4113 4131 50 4107 4110 51 4101 4107 53 4098 4101 53 4086 4089 18 4086 4098 54 4083 4086 55 4083 4110 56 4080 4083 57 4074 4080 59 4071 4074 60 4071 4110 61 4065 4071 63 4065 4119 25 4062 4065 50 4056 4062 50 4056 4113 25 4047 4056 25 4044 4047 50 4035 4038 64 4035 4041 64 4035 4044 48 4224 4227 48 4212 4218 49 4206 4212 25 4206 4224 50 4200 4203 1 4197 4200 65 4185 4188 18 4185 4197 54 4179 4185 67 4173 4179 69 4170 4173 70 4170 4200 71 4164 4170 63 4164 4212 25 4161 4164 50 4155 4161 50 4155 4206 25 4146 4155 25 4143 4146 50 4134 4137 64 4134 4140 64 4134 4143 48 4323 4326 48 4311 4317 49 4305 4311 25 4305 4323 50 4299 4302 51 4293 4299 53 4290 4293 53 4278 4281 18 4278 4290 54 4275 4278 55 4275 4302 56 4272 4275 57 4266 4272 59 4263 4266 60 4263 4302 61 4257 4263 63 4257 4311 25 4254 4257 50 4248 4254 50 4248 4305 25 4239 4248 25 4236 4239 50 4227 4230 64 4227 4233 64 4227 4236 48 4422 4425 48 4410 4416 49 4404 4410 25 4404 4422 50 4398 4401 51 4392 4398 53 4389 4392 53 4377 4380 18 4377 4389 54 4374 4377 55 4374 4401 56 4371 4374 57 4365 4371 59 4362 4365 60 4362 4401 61 4356 4362 63 4356 4410 25 4353 4356 50 4347 4353 50 4347 4404 25 4338 4347 25 4335 4338 50 4326 4329 64 4326 4332 64 4326 4335 48 4509 4515 49 4503 4509 25 4503 4521 49 4497 4500 51 4491 4497 53 4488 4491 53 4476 4479 18 4476 4488 54 4473 4476 55 4473 4500 56 4470 4473 57 4464 4470 59 4461 4464 60 4461 4500 61 4455 4461 63 4455 4509 25 4452 4455 50 4446 4452 50 4446 4503 25 4437 4446 25 4434 4437 50 4425 4428 64 4425 4431 64 4425 4434 48 %FLAG ANGLES_INC_HYDROGEN %FORMAT(10I8) 48 54 57 2 42 36 45 4 39 36 42 4 39 36 45 4 30 24 33 4 27 24 30 4 27 24 33 4 21 18 24 6 21 18 36 6 18 24 27 8 18 24 30 8 18 24 33 8 18 36 39 8 18 36 42 8 18 36 45 8 15 12 18 9 15 12 48 10 12 18 21 11 9 0 12 15 6 0 9 16 6 0 12 15 3 0 6 16 3 0 9 16 3 0 12 15 0 12 15 17 105 111 114 2 99 93 102 4 96 93 99 4 96 93 102 4 90 84 93 20 87 84 90 21 87 84 93 20 84 93 96 22 84 93 99 22 84 93 102 22 78 72 81 4 75 72 78 4 75 72 81 4 69 66 72 6 69 66 84 24 66 72 75 8 66 72 78 8 66 72 81 8 66 84 87 25 66 84 90 25 63 60 66 27 63 60 105 28 60 66 69 11 57 54 60 30 54 60 63 31 177 183 186 2 171 168 174 34 162 159 165 34 156 159 162 36 156 159 165 36 156 168 171 36 156 168 174 36 153 150 156 36 147 141 150 37 144 141 147 38 144 141 150 37 141 150 153 39 138 132 141 41 135 132 138 42 135 132 141 41 132 141 144 43 132 141 147 43 129 123 132 41 126 123 129 42 126 123 132 41 123 132 135 41 123 132 138 41 120 117 123 47 120 117 177 28 117 123 126 48 117 123 129 48 114 111 117 30 111 117 120 31 195 189 198 28 192 189 195 52 192 189 198 28 186 183 189 30 183 189 192 31 183 189 195 31 240 246 249 2 237 234 240 28 231 225 234 53 228 225 231 4 228 225 234 53 225 234 237 54 222 216 225 56 219 216 222 4 219 216 225 56 216 225 228 56 216 225 231 56 213 207 216 58 210 207 213 59 210 207 216 58 207 216 219 56 207 216 222 56 204 207 210 62 204 207 213 62 204 234 237 31 270 276 279 2 264 258 267 4 261 258 264 4 261 258 267 4 255 252 258 54 255 252 270 28 252 258 261 53 252 258 264 53 252 258 267 53 249 246 252 30 246 252 255 31 291 297 300 2 288 282 291 28 285 282 288 52 285 282 291 28 279 276 282 30 276 282 285 31 276 282 288 31 333 339 342 2 327 324 330 65 318 324 327 2 318 324 330 2 315 309 318 66 312 309 315 21 312 309 318 66 306 303 309 70 306 303 333 28 303 309 312 71 303 309 315 71 300 297 303 30 297 303 306 31 375 381 384 2 369 366 372 65 360 366 369 2 360 366 372 2 357 351 360 66 354 351 357 21 354 351 360 66 348 345 351 70 348 345 375 28 345 351 354 71 345 351 357 71 342 339 345 30 339 345 348 31 411 417 420 2 399 393 402 75 396 393 399 21 396 393 402 75 390 387 393 70 390 387 411 28 387 393 396 71 387 393 399 71 384 381 387 30 381 387 390 31 444 450 453 2 435 429 438 78 432 429 435 79 432 429 438 78 429 438 441 80 426 423 429 70 426 423 444 28 423 429 432 81 423 429 435 81 420 417 423 30 417 423 426 31 516 522 525 2 510 507 513 34 501 498 504 34 495 498 501 36 495 498 504 36 495 507 510 36 495 507 513 36 492 489 495 36 486 480 489 37 483 480 486 38 483 480 489 37 480 489 492 39 477 471 480 41 474 471 477 42 474 471 480 41 471 480 483 43 471 480 486 43 468 462 471 41 465 462 468 42 465 462 471 41 462 471 474 41 462 471 477 41 459 456 462 47 459 456 516 28 456 462 465 48 456 462 468 48 453 450 456 30 450 456 459 31 573 579 582 2 567 561 570 4 564 561 567 4 564 561 570 4 558 552 561 20 555 552 558 21 555 552 561 20 552 561 564 22 552 561 567 22 552 561 570 22 546 540 549 4 543 540 546 4 543 540 549 4 537 534 540 6 537 534 552 24 534 540 543 8 534 540 546 8 534 540 549 8 534 552 555 25 534 552 558 25 531 528 534 27 531 528 573 28 528 534 537 11 525 522 528 30 522 528 531 31 636 642 645 2 627 624 630 83 624 630 633 83 615 618 621 85 615 624 627 86 612 609 615 86 606 603 609 83 603 609 612 83 600 603 606 83 600 630 633 83 597 591 600 90 594 591 597 4 594 591 600 90 588 585 591 54 588 585 636 28 585 591 594 53 585 591 597 53 582 579 585 30 579 585 588 31 684 690 693 2 678 672 681 4 675 672 678 4 675 672 681 4 666 660 669 4 663 660 666 4 663 660 669 4 657 654 660 6 657 654 672 6 654 660 663 8 654 660 666 8 654 660 669 8 654 672 675 8 654 672 678 8 654 672 681 8 651 648 654 27 651 648 684 28 648 654 657 11 645 642 648 30 642 648 651 31 705 711 714 2 702 696 705 28 699 696 702 52 699 696 705 28 693 690 696 30 690 696 699 31 690 696 702 31 747 753 756 2 741 738 744 65 732 738 741 2 732 738 744 2 729 723 732 66 726 723 729 21 726 723 732 66 720 717 723 70 720 717 747 28 717 723 726 71 717 723 729 71 714 711 717 30 711 717 720 31 798 792 801 4 795 792 798 4 795 792 801 4 786 780 789 4 783 780 786 4 783 780 789 4 777 774 780 6 777 774 792 6 774 780 783 8 774 780 786 8 774 780 789 8 774 792 795 8 774 792 798 8 774 792 801 8 771 765 774 25 768 765 771 21 768 765 774 25 765 774 777 24 762 759 765 70 762 759 804 28 759 765 768 71 759 765 771 71 756 753 759 30 753 759 762 31 843 840 846 28 837 831 840 53 834 831 837 4 834 831 840 53 831 840 843 54 828 822 831 56 825 822 828 4 825 822 831 56 822 831 834 56 822 831 837 56 819 813 822 58 816 813 819 59 816 813 822 58 813 822 825 56 813 822 828 56 810 813 816 62 810 813 819 62 810 840 843 31 888 894 897 2 885 882 888 28 879 873 882 53 876 873 879 4 876 873 882 53 873 882 885 54 870 864 873 56 867 864 870 4 867 864 873 56 864 873 876 56 864 873 879 56 861 855 864 58 858 855 861 59 858 855 864 58 855 864 867 56 855 864 870 56 852 855 858 62 852 855 861 62 852 882 885 31 924 930 933 2 912 906 915 75 909 906 912 21 909 906 915 75 903 900 906 70 903 900 924 28 900 906 909 71 900 906 912 71 897 894 900 30 894 900 903 31 981 987 990 2 975 969 978 4 972 969 975 4 972 969 978 4 966 960 969 20 963 960 966 21 963 960 969 20 960 969 972 22 960 969 975 22 960 969 978 22 954 948 957 4 951 948 954 4 951 948 957 4 945 942 948 6 945 942 960 24 942 948 951 8 942 948 954 8 942 948 957 8 942 960 963 25 942 960 966 25 939 936 942 27 939 936 981 28 936 942 945 11 933 930 936 30 930 936 939 31 1053 1059 1062 2 1047 1044 1050 34 1038 1035 1041 34 1032 1035 1038 36 1032 1035 1041 36 1032 1044 1047 36 1032 1044 1050 36 1029 1026 1032 36 1023 1017 1026 37 1020 1017 1023 38 1020 1017 1026 37 1017 1026 1029 39 1014 1008 1017 41 1011 1008 1014 42 1011 1008 1017 41 1008 1017 1020 43 1008 1017 1023 43 1005 999 1008 41 1002 999 1005 42 1002 999 1008 41 999 1008 1011 41 999 1008 1014 41 996 993 999 47 996 993 1053 28 993 999 1002 48 993 999 1005 48 990 987 993 30 987 993 996 31 1095 1101 1104 2 1083 1077 1086 4 1080 1077 1083 4 1080 1077 1086 4 1074 1071 1077 95 1074 1071 1089 96 1071 1077 1080 8 1071 1077 1083 8 1071 1077 1086 8 1071 1089 1092 97 1068 1065 1071 27 1068 1065 1095 28 1065 1071 1074 98 1062 1059 1065 30 1059 1065 1068 31 1161 1167 1170 2 1155 1149 1158 16 1152 1149 1155 16 1152 1149 1158 16 1146 1140 1149 100 1143 1140 1146 101 1143 1140 1149 100 1140 1149 1152 102 1140 1149 1155 102 1140 1149 1158 102 1137 1131 1140 41 1134 1131 1137 42 1134 1131 1140 41 1131 1140 1143 103 1131 1140 1146 103 1128 1122 1131 41 1125 1122 1128 42 1125 1122 1131 41 1122 1131 1134 41 1122 1131 1137 41 1119 1113 1122 41 1116 1113 1119 42 1116 1113 1122 41 1113 1122 1125 41 1113 1122 1128 41 1110 1107 1113 47 1110 1107 1161 28 1107 1113 1116 48 1107 1113 1119 48 1104 1101 1107 30 1101 1107 1110 31 1197 1203 1206 2 1185 1179 1188 75 1182 1179 1185 21 1182 1179 1188 75 1176 1173 1179 70 1176 1173 1197 28 1173 1179 1182 71 1173 1179 1185 71 1170 1167 1173 30 1167 1173 1176 31 1254 1260 1263 2 1248 1242 1251 4 1245 1242 1248 4 1245 1242 1251 4 1239 1233 1242 20 1236 1233 1239 21 1236 1233 1242 20 1233 1242 1245 22 1233 1242 1248 22 1233 1242 1251 22 1227 1221 1230 4 1224 1221 1227 4 1224 1221 1230 4 1218 1215 1221 6 1218 1215 1233 24 1215 1221 1224 8 1215 1221 1227 8 1215 1221 1230 8 1215 1233 1236 25 1215 1233 1239 25 1212 1209 1215 27 1212 1209 1254 28 1209 1215 1218 11 1206 1203 1209 30 1203 1209 1212 31 1299 1305 1308 2 1287 1281 1290 75 1284 1281 1287 21 1284 1281 1290 75 1278 1272 1281 105 1275 1272 1278 21 1275 1272 1281 105 1272 1281 1284 105 1272 1281 1287 105 1269 1266 1272 70 1269 1266 1299 28 1266 1272 1275 71 1266 1272 1278 71 1263 1260 1266 30 1260 1266 1269 31 1335 1341 1344 2 1323 1317 1326 75 1320 1317 1323 21 1320 1317 1326 75 1314 1311 1317 70 1314 1311 1335 28 1311 1317 1320 71 1311 1317 1323 71 1308 1305 1311 30 1305 1311 1314 31 1383 1389 1392 2 1377 1371 1380 4 1374 1371 1377 4 1374 1371 1380 4 1365 1359 1368 4 1362 1359 1365 4 1362 1359 1368 4 1356 1353 1359 6 1356 1353 1371 6 1353 1359 1362 8 1353 1359 1365 8 1353 1359 1368 8 1353 1371 1374 8 1353 1371 1377 8 1353 1371 1380 8 1350 1347 1353 27 1350 1347 1383 28 1347 1353 1356 11 1344 1341 1347 30 1341 1347 1350 31 1443 1449 1452 2 1434 1431 1437 83 1431 1437 1440 83 1428 1425 1431 83 1425 1431 1434 83 1422 1419 1425 83 1419 1425 1428 83 1416 1413 1419 83 1413 1419 1422 83 1410 1413 1416 83 1410 1437 1440 83 1407 1401 1410 90 1404 1401 1407 4 1404 1401 1410 90 1398 1395 1401 54 1398 1395 1443 28 1395 1401 1404 53 1395 1401 1407 53 1392 1389 1395 30 1389 1395 1398 31 1476 1482 1485 2 1467 1461 1470 108 1464 1461 1467 79 1464 1461 1470 108 1461 1470 1473 109 1458 1455 1461 70 1458 1455 1476 28 1455 1461 1464 81 1455 1461 1467 81 1452 1449 1455 30 1449 1455 1458 31 1542 1548 1551 2 1536 1530 1539 16 1533 1530 1536 16 1533 1530 1539 16 1527 1521 1530 100 1524 1521 1527 101 1524 1521 1530 100 1521 1530 1533 102 1521 1530 1536 102 1521 1530 1539 102 1518 1512 1521 41 1515 1512 1518 42 1515 1512 1521 41 1512 1521 1524 103 1512 1521 1527 103 1509 1503 1512 41 1506 1503 1509 42 1506 1503 1512 41 1503 1512 1515 41 1503 1512 1518 41 1500 1494 1503 41 1497 1494 1500 42 1497 1494 1503 41 1494 1503 1506 41 1494 1503 1509 41 1491 1488 1494 47 1491 1488 1542 28 1488 1494 1497 48 1488 1494 1500 48 1485 1482 1488 30 1482 1488 1491 31 1605 1611 1614 2 1596 1593 1599 83 1593 1599 1602 83 1584 1587 1590 85 1584 1593 1596 86 1581 1578 1584 86 1575 1572 1578 83 1572 1578 1581 83 1569 1572 1575 83 1569 1599 1602 83 1566 1560 1569 90 1563 1560 1566 4 1563 1560 1569 90 1557 1554 1560 54 1557 1554 1605 28 1554 1560 1563 53 1554 1560 1566 53 1551 1548 1554 30 1548 1554 1557 31 1626 1632 1635 2 1623 1617 1626 28 1620 1617 1623 52 1620 1617 1626 28 1614 1611 1617 30 1611 1617 1620 31 1611 1617 1623 31 1656 1662 1665 2 1650 1644 1653 4 1647 1644 1650 4 1647 1644 1653 4 1641 1638 1644 54 1641 1638 1656 28 1638 1644 1647 53 1638 1644 1650 53 1638 1644 1653 53 1635 1632 1638 30 1632 1638 1641 31 1713 1719 1722 2 1707 1701 1710 4 1704 1701 1707 4 1704 1701 1710 4 1698 1692 1701 20 1695 1692 1698 21 1695 1692 1701 20 1692 1701 1704 22 1692 1701 1707 22 1692 1701 1710 22 1686 1680 1689 4 1683 1680 1686 4 1683 1680 1689 4 1677 1674 1680 6 1677 1674 1692 24 1674 1680 1683 8 1674 1680 1686 8 1674 1680 1689 8 1674 1692 1695 25 1674 1692 1698 25 1671 1668 1674 27 1671 1668 1713 28 1668 1674 1677 11 1665 1662 1668 30 1662 1668 1671 31 1785 1791 1794 2 1779 1776 1782 34 1770 1767 1773 34 1764 1767 1770 36 1764 1767 1773 36 1764 1776 1779 36 1764 1776 1782 36 1761 1758 1764 36 1755 1749 1758 37 1752 1749 1755 38 1752 1749 1758 37 1749 1758 1761 39 1746 1740 1749 41 1743 1740 1746 42 1743 1740 1749 41 1740 1749 1752 43 1740 1749 1755 43 1737 1731 1740 41 1734 1731 1737 42 1734 1731 1740 41 1731 1740 1743 41 1731 1740 1746 41 1728 1725 1731 47 1728 1725 1785 28 1725 1731 1734 48 1725 1731 1737 48 1722 1719 1725 30 1719 1725 1728 31 1821 1827 1830 2 1809 1803 1812 75 1806 1803 1809 21 1806 1803 1812 75 1800 1797 1803 70 1800 1797 1821 28 1797 1803 1806 71 1797 1803 1809 71 1794 1791 1797 30 1791 1797 1800 31 1878 1884 1887 2 1872 1866 1875 4 1869 1866 1872 4 1869 1866 1875 4 1863 1857 1866 20 1860 1857 1863 21 1860 1857 1866 20 1857 1866 1869 22 1857 1866 1872 22 1857 1866 1875 22 1851 1845 1854 4 1848 1845 1851 4 1848 1845 1854 4 1842 1839 1845 6 1842 1839 1857 24 1839 1845 1848 8 1839 1845 1851 8 1839 1845 1854 8 1839 1857 1860 25 1839 1857 1863 25 1836 1833 1839 27 1836 1833 1878 28 1833 1839 1842 11 1830 1827 1833 30 1827 1833 1836 31 1914 1920 1923 2 1902 1896 1905 75 1899 1896 1902 21 1899 1896 1905 75 1893 1890 1896 70 1893 1890 1914 28 1890 1896 1899 71 1890 1896 1902 71 1887 1884 1890 30 1884 1890 1893 31 1971 1977 1980 2 1965 1959 1968 4 1962 1959 1965 4 1962 1959 1968 4 1953 1947 1956 4 1950 1947 1953 4 1950 1947 1956 4 1944 1941 1947 6 1944 1941 1959 6 1941 1947 1950 8 1941 1947 1953 8 1941 1947 1956 8 1941 1959 1962 8 1941 1959 1965 8 1941 1959 1968 8 1938 1932 1941 25 1935 1932 1938 21 1935 1932 1941 25 1932 1941 1944 24 1929 1926 1932 70 1929 1926 1971 28 1926 1932 1935 71 1926 1932 1938 71 1923 1920 1926 30 1920 1926 1929 31 2037 2043 2046 2 2031 2025 2034 16 2028 2025 2031 16 2028 2025 2034 16 2022 2016 2025 100 2019 2016 2022 101 2019 2016 2025 100 2016 2025 2028 102 2016 2025 2031 102 2016 2025 2034 102 2013 2007 2016 41 2010 2007 2013 42 2010 2007 2016 41 2007 2016 2019 103 2007 2016 2022 103 2004 1998 2007 41 2001 1998 2004 42 2001 1998 2007 41 1998 2007 2010 41 1998 2007 2013 41 1995 1989 1998 41 1992 1989 1995 42 1992 1989 1998 41 1989 1998 2001 41 1989 1998 2004 41 1986 1983 1989 47 1986 1983 2037 28 1983 1989 1992 48 1983 1989 1995 48 1980 1977 1983 30 1977 1983 1986 31 2079 2085 2088 2 2073 2070 2076 65 2064 2070 2073 2 2064 2070 2076 2 2061 2055 2064 66 2058 2055 2061 21 2058 2055 2064 66 2052 2049 2055 70 2052 2049 2079 28 2049 2055 2058 71 2049 2055 2061 71 2046 2043 2049 30 2043 2049 2052 31 2151 2157 2160 2 2145 2142 2148 34 2136 2133 2139 34 2130 2133 2136 36 2130 2133 2139 36 2130 2142 2145 36 2130 2142 2148 36 2127 2124 2130 36 2121 2115 2124 37 2118 2115 2121 38 2118 2115 2124 37 2115 2124 2127 39 2112 2106 2115 41 2109 2106 2112 42 2109 2106 2115 41 2106 2115 2118 43 2106 2115 2121 43 2103 2097 2106 41 2100 2097 2103 42 2100 2097 2106 41 2097 2106 2109 41 2097 2106 2112 41 2094 2091 2097 47 2094 2091 2151 28 2091 2097 2100 48 2091 2097 2103 48 2088 2085 2091 30 2085 2091 2094 31 2223 2229 2232 2 2217 2214 2220 34 2208 2205 2211 34 2202 2205 2208 36 2202 2205 2211 36 2202 2214 2217 36 2202 2214 2220 36 2199 2196 2202 36 2193 2187 2196 37 2190 2187 2193 38 2190 2187 2196 37 2187 2196 2199 39 2184 2178 2187 41 2181 2178 2184 42 2181 2178 2187 41 2178 2187 2190 43 2178 2187 2193 43 2175 2169 2178 41 2172 2169 2175 42 2172 2169 2178 41 2169 2178 2181 41 2169 2178 2184 41 2166 2163 2169 47 2166 2163 2223 28 2163 2169 2172 48 2163 2169 2175 48 2160 2157 2163 30 2157 2163 2166 31 2244 2250 2253 2 2241 2235 2244 28 2238 2235 2241 52 2238 2235 2244 28 2232 2229 2235 30 2229 2235 2238 31 2229 2235 2241 31 2262 2256 2265 28 2259 2256 2262 52 2259 2256 2265 28 2253 2250 2256 30 2250 2256 2259 31 2250 2256 2262 31 2304 2301 2307 28 2298 2292 2301 53 2295 2292 2298 4 2295 2292 2301 53 2292 2301 2304 54 2289 2283 2292 56 2286 2283 2289 4 2286 2283 2292 56 2283 2292 2295 56 2283 2292 2298 56 2280 2274 2283 58 2277 2274 2280 59 2277 2274 2283 58 2274 2283 2286 56 2274 2283 2289 56 2271 2274 2277 62 2271 2274 2280 62 2271 2301 2304 31 2349 2355 2358 2 2346 2343 2349 28 2340 2334 2343 53 2337 2334 2340 4 2337 2334 2343 53 2334 2343 2346 54 2331 2325 2334 56 2328 2325 2331 4 2328 2325 2334 56 2325 2334 2337 56 2325 2334 2340 56 2322 2316 2325 58 2319 2316 2322 59 2319 2316 2325 58 2316 2325 2328 56 2316 2325 2331 56 2313 2316 2319 62 2313 2316 2322 62 2313 2343 2346 31 2409 2415 2418 2 2400 2397 2403 83 2397 2403 2406 83 2394 2391 2397 83 2391 2397 2400 83 2388 2385 2391 83 2385 2391 2394 83 2382 2379 2385 83 2379 2385 2388 83 2376 2379 2382 83 2376 2403 2406 83 2373 2367 2376 90 2370 2367 2373 4 2370 2367 2376 90 2364 2361 2367 54 2364 2361 2409 28 2361 2367 2370 53 2361 2367 2373 53 2358 2355 2361 30 2355 2361 2364 31 2439 2445 2448 2 2433 2427 2436 4 2430 2427 2433 4 2430 2427 2436 4 2424 2421 2427 54 2424 2421 2439 28 2421 2427 2430 53 2421 2427 2433 53 2421 2427 2436 53 2418 2415 2421 30 2415 2421 2424 31 2499 2505 2508 2 2490 2487 2493 83 2487 2493 2496 83 2484 2481 2487 83 2481 2487 2490 83 2478 2475 2481 83 2475 2481 2484 83 2472 2469 2475 83 2469 2475 2478 83 2466 2469 2472 83 2466 2493 2496 83 2463 2457 2466 90 2460 2457 2463 4 2460 2457 2466 90 2454 2451 2457 54 2454 2451 2499 28 2451 2457 2460 53 2451 2457 2463 53 2448 2445 2451 30 2445 2451 2454 31 2547 2553 2556 2 2541 2535 2544 4 2538 2535 2541 4 2538 2535 2544 4 2529 2523 2532 4 2526 2523 2529 4 2526 2523 2532 4 2520 2517 2523 6 2520 2517 2535 6 2517 2523 2526 8 2517 2523 2529 8 2517 2523 2532 8 2517 2535 2538 8 2517 2535 2541 8 2517 2535 2544 8 2514 2511 2517 27 2514 2511 2547 28 2511 2517 2520 11 2508 2505 2511 30 2505 2511 2514 31 2592 2598 2601 2 2580 2574 2583 75 2577 2574 2580 21 2577 2574 2583 75 2571 2565 2574 105 2568 2565 2571 21 2568 2565 2574 105 2565 2574 2577 105 2565 2574 2580 105 2562 2559 2565 70 2562 2559 2592 28 2559 2565 2568 71 2559 2565 2571 71 2556 2553 2559 30 2553 2559 2562 31 2652 2658 2661 2 2643 2640 2646 83 2640 2646 2649 83 2637 2634 2640 83 2634 2640 2643 83 2631 2628 2634 83 2628 2634 2637 83 2625 2622 2628 83 2622 2628 2631 83 2619 2622 2625 83 2619 2646 2649 83 2616 2610 2619 90 2613 2610 2616 4 2613 2610 2619 90 2607 2604 2610 54 2607 2604 2652 28 2604 2610 2613 53 2604 2610 2616 53 2601 2598 2604 30 2598 2604 2607 31 2697 2703 2706 2 2685 2679 2688 75 2682 2679 2685 21 2682 2679 2688 75 2676 2670 2679 105 2673 2670 2676 21 2673 2670 2679 105 2670 2679 2682 105 2670 2679 2685 105 2667 2664 2670 70 2667 2664 2697 28 2664 2670 2673 71 2664 2670 2676 71 2661 2658 2664 30 2658 2664 2667 31 2721 2715 2724 75 2718 2715 2721 21 2718 2715 2724 75 2712 2709 2715 70 2712 2709 2733 28 2709 2715 2718 71 2709 2715 2721 71 2706 2703 2709 30 2703 2709 2712 31 2775 2781 2784 2 2772 2769 2775 28 2766 2760 2769 53 2763 2760 2766 4 2763 2760 2769 53 2760 2769 2772 54 2757 2751 2760 56 2754 2751 2757 4 2754 2751 2760 56 2751 2760 2763 56 2751 2760 2766 56 2748 2742 2751 58 2745 2742 2748 59 2745 2742 2751 58 2742 2751 2754 56 2742 2751 2757 56 2739 2742 2745 62 2739 2742 2748 62 2739 2769 2772 31 2847 2853 2856 2 2841 2838 2844 34 2832 2829 2835 34 2826 2829 2832 36 2826 2829 2835 36 2826 2838 2841 36 2826 2838 2844 36 2823 2820 2826 36 2817 2811 2820 37 2814 2811 2817 38 2814 2811 2820 37 2811 2820 2823 39 2808 2802 2811 41 2805 2802 2808 42 2805 2802 2811 41 2802 2811 2814 43 2802 2811 2817 43 2799 2793 2802 41 2796 2793 2799 42 2796 2793 2802 41 2793 2802 2805 41 2793 2802 2808 41 2790 2787 2793 47 2790 2787 2847 28 2787 2793 2796 48 2787 2793 2799 48 2784 2781 2787 30 2781 2787 2790 31 2883 2889 2892 2 2871 2865 2874 75 2868 2865 2871 21 2868 2865 2874 75 2862 2859 2865 70 2862 2859 2883 28 2859 2865 2868 71 2859 2865 2871 71 2856 2853 2859 30 2853 2859 2862 31 2913 2919 2922 2 2907 2901 2910 4 2904 2901 2907 4 2904 2901 2910 4 2898 2895 2901 54 2898 2895 2913 28 2895 2901 2904 53 2895 2901 2907 53 2895 2901 2910 53 2892 2889 2895 30 2889 2895 2898 31 2958 2964 2967 2 2946 2940 2949 75 2943 2940 2946 21 2943 2940 2949 75 2937 2931 2940 105 2934 2931 2937 21 2934 2931 2940 105 2931 2940 2943 105 2931 2940 2946 105 2928 2925 2931 70 2928 2925 2958 28 2925 2931 2934 71 2925 2931 2937 71 2922 2919 2925 30 2919 2925 2928 31 2994 3000 3003 2 2982 2976 2985 75 2979 2976 2982 21 2979 2976 2985 75 2973 2970 2976 70 2973 2970 2994 28 2970 2976 2979 71 2970 2976 2982 71 2967 2964 2970 30 2964 2970 2973 31 3024 3030 3033 2 3018 3012 3021 4 3015 3012 3018 4 3015 3012 3021 4 3009 3006 3012 54 3009 3006 3024 28 3006 3012 3015 53 3006 3012 3018 53 3006 3012 3021 53 3003 3000 3006 30 3000 3006 3009 31 3072 3078 3081 2 3066 3060 3069 4 3063 3060 3066 4 3063 3060 3069 4 3054 3048 3057 4 3051 3048 3054 4 3051 3048 3057 4 3045 3042 3048 6 3045 3042 3060 6 3042 3048 3051 8 3042 3048 3054 8 3042 3048 3057 8 3042 3060 3063 8 3042 3060 3066 8 3042 3060 3069 8 3039 3036 3042 27 3039 3036 3072 28 3036 3042 3045 11 3033 3030 3036 30 3030 3036 3039 31 3105 3111 3114 2 3096 3090 3099 108 3093 3090 3096 79 3093 3090 3099 108 3090 3099 3102 109 3087 3084 3090 70 3087 3084 3105 28 3084 3090 3093 81 3084 3090 3096 81 3081 3078 3084 30 3078 3084 3087 31 3126 3132 3135 2 3123 3117 3126 28 3120 3117 3123 52 3120 3117 3126 28 3114 3111 3117 30 3111 3117 3120 31 3111 3117 3123 31 3198 3204 3207 2 3192 3189 3195 34 3183 3180 3186 34 3177 3180 3183 36 3177 3180 3186 36 3177 3189 3192 36 3177 3189 3195 36 3174 3171 3177 36 3168 3162 3171 37 3165 3162 3168 38 3165 3162 3171 37 3162 3171 3174 39 3159 3153 3162 41 3156 3153 3159 42 3156 3153 3162 41 3153 3162 3165 43 3153 3162 3168 43 3150 3144 3153 41 3147 3144 3150 42 3147 3144 3153 41 3144 3153 3156 41 3144 3153 3159 41 3141 3138 3144 47 3141 3138 3198 28 3138 3144 3147 48 3138 3144 3150 48 3135 3132 3138 30 3132 3138 3141 31 3234 3240 3243 2 3222 3216 3225 75 3219 3216 3222 21 3219 3216 3225 75 3213 3210 3216 70 3213 3210 3234 28 3210 3216 3219 71 3210 3216 3222 71 3207 3204 3210 30 3204 3210 3213 31 3255 3261 3264 2 3252 3246 3255 28 3249 3246 3252 52 3249 3246 3255 28 3243 3240 3246 30 3240 3246 3249 31 3240 3246 3252 31 3318 3324 3327 2 3309 3306 3312 83 3306 3312 3315 83 3297 3300 3303 85 3297 3306 3309 86 3294 3291 3297 86 3288 3285 3291 83 3285 3291 3294 83 3282 3285 3288 83 3282 3312 3315 83 3279 3273 3282 90 3276 3273 3279 4 3276 3273 3282 90 3270 3267 3273 54 3270 3267 3318 28 3267 3273 3276 53 3267 3273 3279 53 3264 3261 3267 30 3261 3267 3270 31 3354 3360 3363 2 3342 3336 3345 75 3339 3336 3342 21 3339 3336 3345 75 3333 3330 3336 70 3333 3330 3354 28 3330 3336 3339 71 3330 3336 3342 71 3327 3324 3330 30 3324 3330 3333 31 3417 3423 3426 2 3408 3405 3411 83 3405 3411 3414 83 3396 3399 3402 85 3396 3405 3408 86 3393 3390 3396 86 3387 3384 3390 83 3384 3390 3393 83 3381 3384 3387 83 3381 3411 3414 83 3378 3372 3381 90 3375 3372 3378 4 3375 3372 3381 90 3369 3366 3372 54 3369 3366 3417 28 3366 3372 3375 53 3366 3372 3378 53 3363 3360 3366 30 3360 3366 3369 31 3453 3459 3462 2 3441 3435 3444 75 3438 3435 3441 21 3438 3435 3444 75 3432 3429 3435 70 3432 3429 3453 28 3429 3435 3438 71 3429 3435 3441 71 3426 3423 3429 30 3423 3429 3432 31 3474 3480 3483 2 3471 3465 3474 28 3468 3465 3471 52 3468 3465 3474 28 3462 3459 3465 30 3459 3465 3468 31 3459 3465 3471 31 3537 3543 3546 2 3528 3525 3531 83 3525 3531 3534 83 3516 3519 3522 85 3516 3525 3528 86 3513 3510 3516 86 3507 3504 3510 83 3504 3510 3513 83 3501 3504 3507 83 3501 3531 3534 83 3498 3492 3501 90 3495 3492 3498 4 3495 3492 3501 90 3489 3486 3492 54 3489 3486 3537 28 3486 3492 3495 53 3486 3492 3498 53 3483 3480 3486 30 3480 3486 3489 31 3609 3615 3618 2 3603 3600 3606 34 3594 3591 3597 34 3588 3591 3594 36 3588 3591 3597 36 3588 3600 3603 36 3588 3600 3606 36 3585 3582 3588 36 3579 3573 3582 37 3576 3573 3579 38 3576 3573 3582 37 3573 3582 3585 39 3570 3564 3573 41 3567 3564 3570 42 3567 3564 3573 41 3564 3573 3576 43 3564 3573 3579 43 3561 3555 3564 41 3558 3555 3561 42 3558 3555 3564 41 3555 3564 3567 41 3555 3564 3570 41 3552 3549 3555 47 3552 3549 3609 28 3549 3555 3558 48 3549 3555 3561 48 3546 3543 3549 30 3543 3549 3552 31 3666 3672 3675 2 3660 3654 3663 4 3657 3654 3660 4 3657 3654 3663 4 3648 3642 3651 4 3645 3642 3648 4 3645 3642 3651 4 3639 3636 3642 6 3639 3636 3654 6 3636 3642 3645 8 3636 3642 3648 8 3636 3642 3651 8 3636 3654 3657 8 3636 3654 3660 8 3636 3654 3663 8 3633 3627 3636 25 3630 3627 3633 21 3630 3627 3636 25 3627 3636 3639 24 3624 3621 3627 70 3624 3621 3666 28 3621 3627 3630 71 3621 3627 3633 71 3618 3615 3621 30 3615 3621 3624 31 3738 3744 3747 2 3732 3729 3735 34 3723 3720 3726 34 3717 3720 3723 36 3717 3720 3726 36 3717 3729 3732 36 3717 3729 3735 36 3714 3711 3717 36 3708 3702 3711 37 3705 3702 3708 38 3705 3702 3711 37 3702 3711 3714 39 3699 3693 3702 41 3696 3693 3699 42 3696 3693 3702 41 3693 3702 3705 43 3693 3702 3708 43 3690 3684 3693 41 3687 3684 3690 42 3687 3684 3693 41 3684 3693 3696 41 3684 3693 3699 41 3681 3678 3684 47 3681 3678 3738 28 3678 3684 3687 48 3678 3684 3690 48 3675 3672 3678 30 3672 3678 3681 31 3786 3792 3795 2 3780 3774 3783 4 3777 3774 3780 4 3777 3774 3783 4 3768 3762 3771 4 3765 3762 3768 4 3765 3762 3771 4 3759 3756 3762 6 3759 3756 3774 6 3756 3762 3765 8 3756 3762 3768 8 3756 3762 3771 8 3756 3774 3777 8 3756 3774 3780 8 3756 3774 3783 8 3753 3750 3756 27 3753 3750 3786 28 3750 3756 3759 11 3747 3744 3750 30 3744 3750 3753 31 3831 3837 3840 2 3819 3813 3822 75 3816 3813 3819 21 3816 3813 3822 75 3810 3804 3813 105 3807 3804 3810 21 3807 3804 3813 105 3804 3813 3816 105 3804 3813 3819 105 3801 3798 3804 70 3801 3798 3831 28 3798 3804 3807 71 3798 3804 3810 71 3795 3792 3798 30 3792 3798 3801 31 3882 3879 3885 83 3879 3885 3888 83 3876 3873 3879 83 3873 3879 3882 83 3870 3867 3873 83 3867 3873 3876 83 3864 3861 3867 83 3861 3867 3870 83 3858 3861 3864 83 3858 3885 3888 83 3855 3849 3858 90 3852 3849 3855 4 3852 3849 3858 90 3846 3843 3849 54 3846 3843 3891 28 3843 3849 3852 53 3843 3849 3855 53 3840 3837 3843 30 3837 3843 3846 31 3930 3927 3933 28 3924 3918 3927 53 3921 3918 3924 4 3921 3918 3927 53 3918 3927 3930 54 3915 3909 3918 56 3912 3909 3915 4 3912 3909 3918 56 3909 3918 3921 56 3909 3918 3924 56 3906 3900 3909 58 3903 3900 3906 59 3903 3900 3909 58 3900 3909 3912 56 3900 3909 3915 56 3897 3900 3903 62 3897 3900 3906 62 3897 3927 3930 31 4023 4020 4026 115 4020 4026 4029 117 4017 4014 4020 58 4017 4014 4032 118 4014 4020 4023 58 4005 4002 4008 121 3999 4002 4005 121 3993 3990 3996 34 3987 3990 3993 36 3987 3990 3996 36 3978 3975 3981 132 3972 3975 3978 136 3969 3966 3972 140 3969 3966 4020 141 3966 4020 4023 58 3963 3966 3969 144 3960 3957 3963 118 3960 3957 4014 58 3957 4014 4017 58 3954 3948 3957 58 3951 3948 3954 59 3951 3948 3957 58 3948 3957 3960 58 3945 3948 3951 115 3945 3948 3954 115 3942 3945 3948 117 4122 4119 4125 115 4119 4125 4128 117 4116 4113 4119 58 4116 4113 4131 118 4113 4119 4122 58 4104 4101 4107 121 4098 4101 4104 121 4092 4089 4095 34 4086 4089 4092 36 4086 4089 4095 36 4077 4074 4080 132 4071 4074 4077 136 4068 4065 4071 140 4068 4065 4119 141 4065 4119 4122 58 4062 4065 4068 144 4059 4056 4062 118 4059 4056 4113 58 4056 4113 4116 58 4053 4047 4056 58 4050 4047 4053 59 4050 4047 4056 58 4047 4056 4059 58 4044 4047 4050 118 4044 4047 4053 118 4215 4212 4218 115 4212 4218 4221 117 4209 4206 4212 58 4209 4206 4224 118 4206 4212 4215 58 4191 4188 4194 34 4185 4188 4191 36 4185 4188 4194 36 4182 4179 4185 150 4176 4173 4179 153 4173 4179 4182 155 4170 4173 4176 157 4167 4164 4170 140 4167 4164 4212 141 4164 4212 4215 58 4161 4164 4167 144 4158 4155 4161 118 4158 4155 4206 58 4155 4206 4209 58 4152 4146 4155 58 4149 4146 4152 59 4149 4146 4155 58 4146 4155 4158 58 4143 4146 4149 118 4143 4146 4152 118 4314 4311 4317 115 4311 4317 4320 117 4308 4305 4311 58 4308 4305 4323 118 4305 4311 4314 58 4296 4293 4299 121 4290 4293 4296 121 4284 4281 4287 34 4278 4281 4284 36 4278 4281 4287 36 4269 4266 4272 132 4263 4266 4269 136 4260 4257 4263 140 4260 4257 4311 141 4257 4311 4314 58 4254 4257 4260 144 4251 4248 4254 118 4251 4248 4305 58 4248 4305 4308 58 4245 4239 4248 58 4242 4239 4245 59 4242 4239 4248 58 4239 4248 4251 58 4236 4239 4242 118 4236 4239 4245 118 4413 4410 4416 115 4410 4416 4419 117 4407 4404 4410 58 4407 4404 4422 118 4404 4410 4413 58 4395 4392 4398 121 4389 4392 4395 121 4383 4380 4386 34 4377 4380 4383 36 4377 4380 4386 36 4368 4365 4371 132 4362 4365 4368 136 4359 4356 4362 140 4359 4356 4410 141 4356 4410 4413 58 4353 4356 4359 144 4350 4347 4353 118 4350 4347 4404 58 4347 4404 4407 58 4344 4338 4347 58 4341 4338 4344 59 4341 4338 4347 58 4338 4347 4350 58 4335 4338 4341 118 4335 4338 4344 118 4512 4509 4515 115 4509 4515 4518 117 4506 4503 4509 58 4506 4503 4521 115 4503 4509 4512 58 4503 4521 4524 117 4494 4491 4497 121 4488 4491 4494 121 4482 4479 4485 34 4476 4479 4482 36 4476 4479 4485 36 4467 4464 4470 132 4461 4464 4467 136 4458 4455 4461 140 4458 4455 4509 141 4455 4509 4512 58 4452 4455 4458 144 4449 4446 4452 118 4449 4446 4503 58 4446 4503 4506 58 4443 4437 4446 58 4440 4437 4443 59 4440 4437 4446 58 4437 4446 4449 58 4434 4437 4440 118 4434 4437 4443 118 %FLAG ANGLES_WITHOUT_HYDROGEN %FORMAT(10I8) 51 48 54 1 48 54 60 3 24 18 36 5 18 12 48 7 12 18 24 12 12 18 36 12 12 48 51 13 12 48 54 14 0 12 18 18 0 12 48 19 108 105 111 1 105 111 117 3 72 66 84 23 66 60 105 7 66 84 93 26 60 66 72 12 60 66 84 29 60 105 108 13 60 105 111 14 54 60 66 32 54 60 105 33 180 177 183 1 177 183 189 3 159 156 168 35 150 156 159 35 150 156 168 35 141 150 156 40 132 141 150 44 123 117 177 45 123 132 141 46 117 123 132 49 117 177 180 13 117 177 183 14 111 117 123 50 111 117 177 33 201 198 204 1 198 204 207 51 198 204 234 3 189 198 201 13 189 198 204 14 183 189 198 33 243 240 246 1 240 246 252 3 234 240 243 13 234 240 246 14 225 234 240 55 216 225 234 57 207 204 234 60 207 216 225 61 204 207 216 63 204 234 225 64 204 234 240 33 273 270 276 1 270 276 282 3 258 252 270 55 252 270 273 13 252 270 276 14 246 252 258 64 246 252 270 33 294 291 297 1 291 297 303 3 282 291 294 13 282 291 297 14 276 282 291 33 336 333 339 1 333 339 345 3 321 318 324 1 309 303 333 67 309 318 321 68 309 318 324 69 303 309 318 72 303 333 336 13 303 333 339 14 297 303 309 73 297 303 333 33 378 375 381 1 375 381 387 3 363 360 366 1 351 345 375 67 351 360 363 68 351 360 366 69 345 351 360 72 345 375 378 13 345 375 381 14 339 345 351 73 339 345 375 33 414 411 417 1 411 417 423 3 405 402 408 74 393 387 411 67 393 402 405 76 393 402 408 76 387 393 402 77 387 411 414 13 387 411 417 14 381 387 393 73 381 387 411 33 447 444 450 1 444 450 456 3 429 423 444 67 423 429 438 82 423 444 447 13 423 444 450 14 417 423 429 73 417 423 444 33 519 516 522 1 516 522 528 3 498 495 507 35 489 495 498 35 489 495 507 35 480 489 495 40 471 480 489 44 462 456 516 45 462 471 480 46 456 462 471 49 456 516 519 13 456 516 522 14 450 456 462 50 450 456 516 33 576 573 579 1 573 579 585 3 540 534 552 23 534 528 573 7 534 552 561 26 528 534 540 12 528 534 552 29 528 573 576 13 528 573 579 14 522 528 534 32 522 528 573 33 639 636 642 1 636 642 648 3 618 615 624 84 615 624 630 87 609 615 618 84 609 615 624 88 603 600 630 89 603 609 615 87 600 603 609 89 600 630 624 89 591 585 636 55 591 600 603 91 591 600 630 91 585 591 600 92 585 636 639 13 585 636 642 14 579 585 591 64 579 585 636 33 687 684 690 1 684 690 696 3 660 654 672 5 654 648 684 7 648 654 660 12 648 654 672 12 648 684 687 13 648 684 690 14 642 648 654 32 642 648 684 33 708 705 711 1 705 711 717 3 696 705 708 13 696 705 711 14 690 696 705 33 750 747 753 1 747 753 759 3 735 732 738 1 723 717 747 67 723 732 735 68 723 732 738 69 717 723 732 72 717 747 750 13 717 747 753 14 711 717 723 73 711 717 747 33 807 804 810 1 804 810 813 51 804 810 840 3 780 774 792 5 765 759 804 67 765 774 780 23 765 774 792 23 759 765 774 93 759 804 807 13 759 804 810 14 753 759 765 73 753 759 804 33 849 846 852 1 846 852 855 51 846 852 882 3 840 846 849 13 840 846 852 14 831 840 846 55 822 831 840 57 813 810 840 60 813 822 831 61 810 813 822 63 810 840 831 64 810 840 846 33 891 888 894 1 888 894 900 3 882 888 891 13 882 888 894 14 873 882 888 55 864 873 882 57 855 852 882 60 855 864 873 61 852 855 864 63 852 882 873 64 852 882 888 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1173 1197 67 1179 1188 1191 76 1179 1188 1194 76 1173 1179 1188 77 1173 1197 1200 13 1173 1197 1203 14 1167 1173 1179 73 1167 1173 1197 33 1257 1254 1260 1 1254 1260 1266 3 1221 1215 1233 23 1215 1209 1254 7 1215 1233 1242 26 1209 1215 1221 12 1209 1215 1233 29 1209 1254 1257 13 1209 1254 1260 14 1203 1209 1215 32 1203 1209 1254 33 1302 1299 1305 1 1299 1305 1311 3 1293 1290 1296 74 1281 1290 1293 76 1281 1290 1296 76 1272 1266 1299 67 1272 1281 1290 106 1266 1272 1281 107 1266 1299 1302 13 1266 1299 1305 14 1260 1266 1272 73 1260 1266 1299 33 1338 1335 1341 1 1335 1341 1347 3 1329 1326 1332 74 1317 1311 1335 67 1317 1326 1329 76 1317 1326 1332 76 1311 1317 1326 77 1311 1335 1338 13 1311 1335 1341 14 1305 1311 1317 73 1305 1311 1335 33 1386 1383 1389 1 1383 1389 1395 3 1359 1353 1371 5 1353 1347 1383 7 1347 1353 1359 12 1347 1353 1371 12 1347 1383 1386 13 1347 1383 1389 14 1341 1347 1353 32 1341 1347 1383 33 1446 1443 1449 1 1443 1449 1455 3 1425 1431 1437 89 1419 1425 1431 89 1413 1410 1437 89 1413 1419 1425 89 1410 1413 1419 89 1410 1437 1431 89 1401 1395 1443 55 1401 1410 1413 91 1401 1410 1437 91 1395 1401 1410 92 1395 1443 1446 13 1395 1443 1449 14 1389 1395 1401 64 1389 1395 1443 33 1479 1476 1482 1 1476 1482 1488 3 1461 1455 1476 67 1455 1461 1470 110 1455 1476 1479 13 1455 1476 1482 14 1449 1455 1461 73 1449 1455 1476 33 1545 1542 1548 1 1542 1548 1554 3 1512 1521 1530 104 1503 1512 1521 46 1494 1488 1542 45 1494 1503 1512 46 1488 1494 1503 49 1488 1542 1545 13 1488 1542 1548 14 1482 1488 1494 50 1482 1488 1542 33 1608 1605 1611 1 1605 1611 1617 3 1587 1584 1593 84 1584 1593 1599 87 1578 1584 1587 84 1578 1584 1593 88 1572 1569 1599 89 1572 1578 1584 87 1569 1572 1578 89 1569 1599 1593 89 1560 1554 1605 55 1560 1569 1572 91 1560 1569 1599 91 1554 1560 1569 92 1554 1605 1608 13 1554 1605 1611 14 1548 1554 1560 64 1548 1554 1605 33 1629 1626 1632 1 1626 1632 1638 3 1617 1626 1629 13 1617 1626 1632 14 1611 1617 1626 33 1659 1656 1662 1 1656 1662 1668 3 1644 1638 1656 55 1638 1656 1659 13 1638 1656 1662 14 1632 1638 1644 64 1632 1638 1656 33 1716 1713 1719 1 1713 1719 1725 3 1680 1674 1692 23 1674 1668 1713 7 1674 1692 1701 26 1668 1674 1680 12 1668 1674 1692 29 1668 1713 1716 13 1668 1713 1719 14 1662 1668 1674 32 1662 1668 1713 33 1788 1785 1791 1 1785 1791 1797 3 1767 1764 1776 35 1758 1764 1767 35 1758 1764 1776 35 1749 1758 1764 40 1740 1749 1758 44 1731 1725 1785 45 1731 1740 1749 46 1725 1731 1740 49 1725 1785 1788 13 1725 1785 1791 14 1719 1725 1731 50 1719 1725 1785 33 1824 1821 1827 1 1821 1827 1833 3 1815 1812 1818 74 1803 1797 1821 67 1803 1812 1815 76 1803 1812 1818 76 1797 1803 1812 77 1797 1821 1824 13 1797 1821 1827 14 1791 1797 1803 73 1791 1797 1821 33 1881 1878 1884 1 1878 1884 1890 3 1845 1839 1857 23 1839 1833 1878 7 1839 1857 1866 26 1833 1839 1845 12 1833 1839 1857 29 1833 1878 1881 13 1833 1878 1884 14 1827 1833 1839 32 1827 1833 1878 33 1917 1914 1920 1 1914 1920 1926 3 1908 1905 1911 74 1896 1890 1914 67 1896 1905 1908 76 1896 1905 1911 76 1890 1896 1905 77 1890 1914 1917 13 1890 1914 1920 14 1884 1890 1896 73 1884 1890 1914 33 1974 1971 1977 1 1971 1977 1983 3 1947 1941 1959 5 1932 1926 1971 67 1932 1941 1947 23 1932 1941 1959 23 1926 1932 1941 93 1926 1971 1974 13 1926 1971 1977 14 1920 1926 1932 73 1920 1926 1971 33 2040 2037 2043 1 2037 2043 2049 3 2007 2016 2025 104 1998 2007 2016 46 1989 1983 2037 45 1989 1998 2007 46 1983 1989 1998 49 1983 2037 2040 13 1983 2037 2043 14 1977 1983 1989 50 1977 1983 2037 33 2082 2079 2085 1 2079 2085 2091 3 2067 2064 2070 1 2055 2049 2079 67 2055 2064 2067 68 2055 2064 2070 69 2049 2055 2064 72 2049 2079 2082 13 2049 2079 2085 14 2043 2049 2055 73 2043 2049 2079 33 2154 2151 2157 1 2151 2157 2163 3 2133 2130 2142 35 2124 2130 2133 35 2124 2130 2142 35 2115 2124 2130 40 2106 2115 2124 44 2097 2091 2151 45 2097 2106 2115 46 2091 2097 2106 49 2091 2151 2154 13 2091 2151 2157 14 2085 2091 2097 50 2085 2091 2151 33 2226 2223 2229 1 2223 2229 2235 3 2205 2202 2214 35 2196 2202 2205 35 2196 2202 2214 35 2187 2196 2202 40 2178 2187 2196 44 2169 2163 2223 45 2169 2178 2187 46 2163 2169 2178 49 2163 2223 2226 13 2163 2223 2229 14 2157 2163 2169 50 2157 2163 2223 33 2247 2244 2250 1 2244 2250 2256 3 2235 2244 2247 13 2235 2244 2250 14 2229 2235 2244 33 2268 2265 2271 1 2265 2271 2274 51 2265 2271 2301 3 2256 2265 2268 13 2256 2265 2271 14 2250 2256 2265 33 2310 2307 2313 1 2307 2313 2316 51 2307 2313 2343 3 2301 2307 2310 13 2301 2307 2313 14 2292 2301 2307 55 2283 2292 2301 57 2274 2271 2301 60 2274 2283 2292 61 2271 2274 2283 63 2271 2301 2292 64 2271 2301 2307 33 2352 2349 2355 1 2349 2355 2361 3 2343 2349 2352 13 2343 2349 2355 14 2334 2343 2349 55 2325 2334 2343 57 2316 2313 2343 60 2316 2325 2334 61 2313 2316 2325 63 2313 2343 2334 64 2313 2343 2349 33 2412 2409 2415 1 2409 2415 2421 3 2391 2397 2403 89 2385 2391 2397 89 2379 2376 2403 89 2379 2385 2391 89 2376 2379 2385 89 2376 2403 2397 89 2367 2361 2409 55 2367 2376 2379 91 2367 2376 2403 91 2361 2367 2376 92 2361 2409 2412 13 2361 2409 2415 14 2355 2361 2367 64 2355 2361 2409 33 2442 2439 2445 1 2439 2445 2451 3 2427 2421 2439 55 2421 2439 2442 13 2421 2439 2445 14 2415 2421 2427 64 2415 2421 2439 33 2502 2499 2505 1 2499 2505 2511 3 2481 2487 2493 89 2475 2481 2487 89 2469 2466 2493 89 2469 2475 2481 89 2466 2469 2475 89 2466 2493 2487 89 2457 2451 2499 55 2457 2466 2469 91 2457 2466 2493 91 2451 2457 2466 92 2451 2499 2502 13 2451 2499 2505 14 2445 2451 2457 64 2445 2451 2499 33 2550 2547 2553 1 2547 2553 2559 3 2523 2517 2535 5 2517 2511 2547 7 2511 2517 2523 12 2511 2517 2535 12 2511 2547 2550 13 2511 2547 2553 14 2505 2511 2517 32 2505 2511 2547 33 2595 2592 2598 1 2592 2598 2604 3 2586 2583 2589 74 2574 2583 2586 76 2574 2583 2589 76 2565 2559 2592 67 2565 2574 2583 106 2559 2565 2574 107 2559 2592 2595 13 2559 2592 2598 14 2553 2559 2565 73 2553 2559 2592 33 2655 2652 2658 1 2652 2658 2664 3 2634 2640 2646 89 2628 2634 2640 89 2622 2619 2646 89 2622 2628 2634 89 2619 2622 2628 89 2619 2646 2640 89 2610 2604 2652 55 2610 2619 2622 91 2610 2619 2646 91 2604 2610 2619 92 2604 2652 2655 13 2604 2652 2658 14 2598 2604 2610 64 2598 2604 2652 33 2700 2697 2703 1 2697 2703 2709 3 2691 2688 2694 74 2679 2688 2691 76 2679 2688 2694 76 2670 2664 2697 67 2670 2679 2688 106 2664 2670 2679 107 2664 2697 2700 13 2664 2697 2703 14 2658 2664 2670 73 2658 2664 2697 33 2736 2733 2739 1 2733 2739 2742 51 2733 2739 2769 3 2727 2724 2730 74 2715 2709 2733 67 2715 2724 2727 76 2715 2724 2730 76 2709 2715 2724 77 2709 2733 2736 13 2709 2733 2739 14 2703 2709 2715 73 2703 2709 2733 33 2778 2775 2781 1 2775 2781 2787 3 2769 2775 2778 13 2769 2775 2781 14 2760 2769 2775 55 2751 2760 2769 57 2742 2739 2769 60 2742 2751 2760 61 2739 2742 2751 63 2739 2769 2760 64 2739 2769 2775 33 2850 2847 2853 1 2847 2853 2859 3 2829 2826 2838 35 2820 2826 2829 35 2820 2826 2838 35 2811 2820 2826 40 2802 2811 2820 44 2793 2787 2847 45 2793 2802 2811 46 2787 2793 2802 49 2787 2847 2850 13 2787 2847 2853 14 2781 2787 2793 50 2781 2787 2847 33 2886 2883 2889 1 2883 2889 2895 3 2877 2874 2880 74 2865 2859 2883 67 2865 2874 2877 76 2865 2874 2880 76 2859 2865 2874 77 2859 2883 2886 13 2859 2883 2889 14 2853 2859 2865 73 2853 2859 2883 33 2916 2913 2919 1 2913 2919 2925 3 2901 2895 2913 55 2895 2913 2916 13 2895 2913 2919 14 2889 2895 2901 64 2889 2895 2913 33 2961 2958 2964 1 2958 2964 2970 3 2952 2949 2955 74 2940 2949 2952 76 2940 2949 2955 76 2931 2925 2958 67 2931 2940 2949 106 2925 2931 2940 107 2925 2958 2961 13 2925 2958 2964 14 2919 2925 2931 73 2919 2925 2958 33 2997 2994 3000 1 2994 3000 3006 3 2988 2985 2991 74 2976 2970 2994 67 2976 2985 2988 76 2976 2985 2991 76 2970 2976 2985 77 2970 2994 2997 13 2970 2994 3000 14 2964 2970 2976 73 2964 2970 2994 33 3027 3024 3030 1 3024 3030 3036 3 3012 3006 3024 55 3006 3024 3027 13 3006 3024 3030 14 3000 3006 3012 64 3000 3006 3024 33 3075 3072 3078 1 3072 3078 3084 3 3048 3042 3060 5 3042 3036 3072 7 3036 3042 3048 12 3036 3042 3060 12 3036 3072 3075 13 3036 3072 3078 14 3030 3036 3042 32 3030 3036 3072 33 3108 3105 3111 1 3105 3111 3117 3 3090 3084 3105 67 3084 3090 3099 110 3084 3105 3108 13 3084 3105 3111 14 3078 3084 3090 73 3078 3084 3105 33 3129 3126 3132 1 3126 3132 3138 3 3117 3126 3129 13 3117 3126 3132 14 3111 3117 3126 33 3201 3198 3204 1 3198 3204 3210 3 3180 3177 3189 35 3171 3177 3180 35 3171 3177 3189 35 3162 3171 3177 40 3153 3162 3171 44 3144 3138 3198 45 3144 3153 3162 46 3138 3144 3153 49 3138 3198 3201 13 3138 3198 3204 14 3132 3138 3144 50 3132 3138 3198 33 3237 3234 3240 1 3234 3240 3246 3 3228 3225 3231 74 3216 3210 3234 67 3216 3225 3228 76 3216 3225 3231 76 3210 3216 3225 77 3210 3234 3237 13 3210 3234 3240 14 3204 3210 3216 73 3204 3210 3234 33 3258 3255 3261 1 3255 3261 3267 3 3246 3255 3258 13 3246 3255 3261 14 3240 3246 3255 33 3321 3318 3324 1 3318 3324 3330 3 3300 3297 3306 84 3297 3306 3312 87 3291 3297 3300 84 3291 3297 3306 88 3285 3282 3312 89 3285 3291 3297 87 3282 3285 3291 89 3282 3312 3306 89 3273 3267 3318 55 3273 3282 3285 91 3273 3282 3312 91 3267 3273 3282 92 3267 3318 3321 13 3267 3318 3324 14 3261 3267 3273 64 3261 3267 3318 33 3357 3354 3360 1 3354 3360 3366 3 3348 3345 3351 74 3336 3330 3354 67 3336 3345 3348 76 3336 3345 3351 76 3330 3336 3345 77 3330 3354 3357 13 3330 3354 3360 14 3324 3330 3336 73 3324 3330 3354 33 3420 3417 3423 1 3417 3423 3429 3 3399 3396 3405 84 3396 3405 3411 87 3390 3396 3399 84 3390 3396 3405 88 3384 3381 3411 89 3384 3390 3396 87 3381 3384 3390 89 3381 3411 3405 89 3372 3366 3417 55 3372 3381 3384 91 3372 3381 3411 91 3366 3372 3381 92 3366 3417 3420 13 3366 3417 3423 14 3360 3366 3372 64 3360 3366 3417 33 3456 3453 3459 1 3453 3459 3465 3 3447 3444 3450 74 3435 3429 3453 67 3435 3444 3447 76 3435 3444 3450 76 3429 3435 3444 77 3429 3453 3456 13 3429 3453 3459 14 3423 3429 3435 73 3423 3429 3453 33 3477 3474 3480 1 3474 3480 3486 3 3465 3474 3477 13 3465 3474 3480 14 3459 3465 3474 33 3540 3537 3543 1 3537 3543 3549 3 3519 3516 3525 84 3516 3525 3531 87 3510 3516 3519 84 3510 3516 3525 88 3504 3501 3531 89 3504 3510 3516 87 3501 3504 3510 89 3501 3531 3525 89 3492 3486 3537 55 3492 3501 3504 91 3492 3501 3531 91 3486 3492 3501 92 3486 3537 3540 13 3486 3537 3543 14 3480 3486 3492 64 3480 3486 3537 33 3612 3609 3615 1 3609 3615 3621 3 3591 3588 3600 35 3582 3588 3591 35 3582 3588 3600 35 3573 3582 3588 40 3564 3573 3582 44 3555 3549 3609 45 3555 3564 3573 46 3549 3555 3564 49 3549 3609 3612 13 3549 3609 3615 14 3543 3549 3555 50 3543 3549 3609 33 3669 3666 3672 1 3666 3672 3678 3 3642 3636 3654 5 3627 3621 3666 67 3627 3636 3642 23 3627 3636 3654 23 3621 3627 3636 93 3621 3666 3669 13 3621 3666 3672 14 3615 3621 3627 73 3615 3621 3666 33 3741 3738 3744 1 3738 3744 3750 3 3720 3717 3729 35 3711 3717 3720 35 3711 3717 3729 35 3702 3711 3717 40 3693 3702 3711 44 3684 3678 3738 45 3684 3693 3702 46 3678 3684 3693 49 3678 3738 3741 13 3678 3738 3744 14 3672 3678 3684 50 3672 3678 3738 33 3789 3786 3792 1 3786 3792 3798 3 3762 3756 3774 5 3756 3750 3786 7 3750 3756 3762 12 3750 3756 3774 12 3750 3786 3789 13 3750 3786 3792 14 3744 3750 3756 32 3744 3750 3786 33 3834 3831 3837 1 3831 3837 3843 3 3825 3822 3828 74 3813 3822 3825 76 3813 3822 3828 76 3804 3798 3831 67 3804 3813 3822 106 3798 3804 3813 107 3798 3831 3834 13 3798 3831 3837 14 3792 3798 3804 73 3792 3798 3831 33 3894 3891 3897 1 3891 3897 3900 51 3891 3897 3927 3 3873 3879 3885 89 3867 3873 3879 89 3861 3858 3885 89 3861 3867 3873 89 3858 3861 3867 89 3858 3885 3879 89 3849 3843 3891 55 3849 3858 3861 91 3849 3858 3885 91 3843 3849 3858 92 3843 3891 3894 13 3843 3891 3897 14 3837 3843 3849 64 3837 3843 3891 33 3936 3933 3939 111 3927 3933 3936 112 3927 3933 3939 112 3918 3927 3933 55 3909 3918 3927 57 3900 3897 3927 60 3900 3909 3918 61 3897 3900 3909 63 3897 3927 3918 64 3897 3927 3933 33 4032 4035 4038 113 4032 4035 4041 113 4032 4035 4044 114 4020 4014 4032 116 4014 4020 4026 119 4014 4032 4035 120 4002 4008 4011 122 3999 4002 4008 123 3990 3987 3999 124 3987 3984 4011 125 3987 3999 4002 126 3984 3987 3990 127 3984 3987 3999 128 3984 4011 4008 129 3981 3984 3987 130 3981 3984 4011 131 3975 3972 4011 133 3975 3981 3984 134 3972 3966 4020 135 3972 3975 3981 137 3972 4011 3984 138 3972 4011 4008 139 3966 3972 3975 142 3966 3972 4011 143 3966 4020 4014 61 3966 4020 4026 119 3963 3957 4014 116 3963 3966 3972 145 3963 3966 4020 116 3957 3963 3966 146 3957 4014 4020 61 3957 4014 4032 116 3948 3957 3963 116 3948 3957 4014 61 3945 3948 3957 119 4131 4134 4137 113 4131 4134 4140 113 4131 4134 4143 114 4119 4113 4131 116 4113 4119 4125 119 4113 4131 4134 120 4101 4107 4110 122 4098 4101 4107 123 4089 4086 4098 124 4086 4083 4110 125 4086 4098 4101 126 4083 4086 4089 127 4083 4086 4098 128 4083 4110 4107 129 4080 4083 4086 130 4080 4083 4110 131 4074 4071 4110 133 4074 4080 4083 134 4071 4065 4119 135 4071 4074 4080 137 4071 4110 4083 138 4071 4110 4107 139 4065 4071 4074 142 4065 4071 4110 143 4065 4119 4113 61 4065 4119 4125 119 4062 4056 4113 116 4062 4065 4071 145 4062 4065 4119 116 4056 4062 4065 146 4056 4113 4119 61 4056 4113 4131 116 4047 4056 4062 116 4047 4056 4113 61 4044 4047 4056 116 4041 4035 4044 113 4038 4035 4041 147 4038 4035 4044 113 4035 4044 4047 120 4224 4227 4230 113 4224 4227 4233 113 4224 4227 4236 114 4212 4206 4224 116 4206 4212 4218 119 4206 4224 4227 120 4197 4200 4203 148 4188 4185 4197 124 4185 4197 4200 149 4179 4185 4188 151 4179 4185 4197 152 4173 4170 4200 154 4173 4179 4185 156 4170 4164 4212 135 4170 4173 4179 158 4170 4200 4197 159 4170 4200 4203 160 4164 4170 4173 161 4164 4170 4200 162 4164 4212 4206 61 4164 4212 4218 119 4161 4155 4206 116 4161 4164 4170 145 4161 4164 4212 116 4155 4161 4164 146 4155 4206 4212 61 4155 4206 4224 116 4146 4155 4161 116 4146 4155 4206 61 4143 4146 4155 116 4140 4134 4143 113 4137 4134 4140 147 4137 4134 4143 113 4134 4143 4146 120 4323 4326 4329 113 4323 4326 4332 113 4323 4326 4335 114 4311 4305 4323 116 4305 4311 4317 119 4305 4323 4326 120 4293 4299 4302 122 4290 4293 4299 123 4281 4278 4290 124 4278 4275 4302 125 4278 4290 4293 126 4275 4278 4281 127 4275 4278 4290 128 4275 4302 4299 129 4272 4275 4278 130 4272 4275 4302 131 4266 4263 4302 133 4266 4272 4275 134 4263 4257 4311 135 4263 4266 4272 137 4263 4302 4275 138 4263 4302 4299 139 4257 4263 4266 142 4257 4263 4302 143 4257 4311 4305 61 4257 4311 4317 119 4254 4248 4305 116 4254 4257 4263 145 4254 4257 4311 116 4248 4254 4257 146 4248 4305 4311 61 4248 4305 4323 116 4239 4248 4254 116 4239 4248 4305 61 4236 4239 4248 116 4233 4227 4236 113 4230 4227 4233 147 4230 4227 4236 113 4227 4236 4239 120 4422 4425 4428 113 4422 4425 4431 113 4422 4425 4434 114 4410 4404 4422 116 4404 4410 4416 119 4404 4422 4425 120 4392 4398 4401 122 4389 4392 4398 123 4380 4377 4389 124 4377 4374 4401 125 4377 4389 4392 126 4374 4377 4380 127 4374 4377 4389 128 4374 4401 4398 129 4371 4374 4377 130 4371 4374 4401 131 4365 4362 4401 133 4365 4371 4374 134 4362 4356 4410 135 4362 4365 4371 137 4362 4401 4374 138 4362 4401 4398 139 4356 4362 4365 142 4356 4362 4401 143 4356 4410 4404 61 4356 4410 4416 119 4353 4347 4404 116 4353 4356 4362 145 4353 4356 4410 116 4347 4353 4356 146 4347 4404 4410 61 4347 4404 4422 116 4338 4347 4353 116 4338 4347 4404 61 4335 4338 4347 116 4332 4326 4335 113 4329 4326 4332 147 4329 4326 4335 113 4326 4335 4338 120 4509 4503 4521 119 4503 4509 4515 119 4491 4497 4500 122 4488 4491 4497 123 4479 4476 4488 124 4476 4473 4500 125 4476 4488 4491 126 4473 4476 4479 127 4473 4476 4488 128 4473 4500 4497 129 4470 4473 4476 130 4470 4473 4500 131 4464 4461 4500 133 4464 4470 4473 134 4461 4455 4509 135 4461 4464 4470 137 4461 4500 4473 138 4461 4500 4497 139 4455 4461 4464 142 4455 4461 4500 143 4455 4509 4503 61 4455 4509 4515 119 4452 4446 4503 116 4452 4455 4461 145 4452 4455 4509 116 4446 4452 4455 146 4446 4503 4509 61 4446 4503 4521 119 4437 4446 4452 116 4437 4446 4503 61 4434 4437 4446 116 4431 4425 4434 113 4428 4425 4431 147 4428 4425 4434 113 4425 4434 4437 120 %FLAG DIHEDRALS_INC_HYDROGEN %FORMAT(10I8) 51 48 54 57 1 51 48 -54 57 2 48 54 60 63 3 33 24 18 36 14 30 24 18 36 14 27 24 18 36 14 24 18 36 39 14 24 18 36 42 14 24 18 36 45 14 21 18 12 48 15 21 18 24 27 16 21 18 24 30 16 21 18 24 33 16 21 18 36 39 16 21 18 36 42 16 21 18 36 45 16 15 12 18 21 15 15 12 18 24 15 15 12 18 36 15 15 12 48 51 3 15 12 48 54 3 12 18 24 27 14 12 18 24 30 14 12 18 24 33 14 12 18 36 39 14 12 18 36 42 14 12 18 36 45 14 12 48 54 57 2 9 0 12 15 15 9 0 12 18 15 9 0 12 48 15 6 0 12 15 15 6 0 12 18 15 6 0 12 48 15 3 0 12 15 15 3 0 12 18 15 3 0 12 48 15 0 12 18 21 15 108 105 111 114 1 108 105 -111 114 2 105 111 117 120 3 90 84 93 96 16 90 84 93 99 16 90 84 93 102 16 87 84 93 96 16 87 84 93 99 16 87 84 93 102 16 81 72 66 84 14 78 72 66 84 14 75 72 66 84 14 72 66 84 87 14 72 66 84 90 14 69 66 60 105 15 69 66 72 75 16 69 66 72 78 16 69 66 72 81 16 69 66 84 87 16 69 66 84 90 16 69 66 84 93 14 66 84 93 96 14 66 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1182 1183 1184 1165 1166 1167 1168 1180 1181 1182 1166 1167 1168 1169 1170 1171 1176 1178 1179 1180 1181 1182 1167 1168 1169 1178 1180 1168 1169 1178 1180 1169 1170 1171 1172 1173 1176 1177 1178 1179 1180 1170 1171 1172 1173 1174 1176 1178 1179 1171 1172 1173 1178 1172 1173 1174 1175 1176 1177 1178 1173 1174 1176 1174 1175 1176 1177 1178 1179 1175 1176 1177 1178 1176 1177 1178 1179 1178 1179 1179 0 1181 1182 1183 1184 1185 1186 1204 1182 1183 1184 1183 1184 1185 1186 1187 1188 1189 1204 1205 1206 1184 1185 1186 1204 1185 1186 1187 1188 1189 1190 1191 1192 1204 1205 1206 1207 1208 1186 1187 1188 1189 1204 1205 1206 1187 1188 1189 1190 1191 1192 1193 1194 1195 1204 1205 1206 1188 1189 1190 1191 1192 1204 1189 1190 1191 1192 1204 1190 1191 1192 1193 1194 1195 1196 1197 1204 1191 1192 1193 1194 1195 1192 1193 1194 1195 1193 1194 1195 1196 1197 1198 1201 1194 1195 1196 1197 1195 1196 1197 1196 1197 1198 1199 1200 1201 1202 1203 1197 1198 1201 1198 1199 1200 1201 1202 1203 1199 1200 1201 1202 1203 1200 1201 1201 1202 1203 1203 0 1205 1206 1207 1208 1209 1210 1223 1206 1207 1208 1207 1208 1209 1210 1211 1212 1213 1223 1224 1225 1208 1209 1210 1223 1209 1210 1211 1212 1213 1214 1215 1219 1223 1224 1225 1226 1227 1210 1211 1212 1213 1223 1224 1225 1211 1212 1213 1214 1215 1216 1217 1218 1219 1220 1221 1222 1223 1224 1225 1212 1213 1214 1215 1219 1223 1213 1214 1215 1219 1223 1214 1215 1216 1217 1218 1219 1220 1221 1222 1223 1215 1216 1217 1218 1219 1220 1221 1222 1216 1217 1218 1219 1220 1221 1222 1217 1218 1219 1218 1219 1219 1220 1221 1222 1221 1222 1222 0 1224 1225 1226 1227 1228 1229 1247 1225 1226 1227 1226 1227 1228 1229 1230 1231 1232 1247 1248 1249 1227 1228 1229 1247 1228 1229 1230 1231 1232 1233 1234 1235 1247 1248 1249 1250 1251 1229 1230 1231 1232 1247 1248 1249 1230 1231 1232 1233 1234 1235 1236 1237 1238 1247 1248 1249 1231 1232 1233 1234 1235 1247 1232 1233 1234 1235 1247 1233 1234 1235 1236 1237 1238 1239 1240 1247 1234 1235 1236 1237 1238 1235 1236 1237 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1350 1349 1350 1350 1351 1352 1353 1354 1355 1372 1351 1352 1353 1354 1355 1356 1372 1373 1374 1378 1352 1353 1354 1355 1372 1353 1354 1355 1372 1354 1355 1356 1357 1358 1372 1373 1374 1375 1376 1378 1379 1355 1356 1372 1373 1374 1378 1356 1357 1358 1359 1371 1372 1373 1374 1375 1376 1378 1357 1358 1359 1360 1361 1362 1370 1371 1372 1373 1374 1375 1376 1377 1378 1358 1359 1371 1372 1374 1375 1376 1359 1360 1361 1362 1363 1368 1370 1371 1372 1374 1375 1376 1360 1361 1362 1363 1370 1371 1374 1361 1362 1371 1362 1363 1364 1367 1370 1371 1363 1364 1365 1366 1367 1368 1370 1371 1364 1365 1366 1367 1368 1369 1370 1371 1365 1366 1367 1368 1371 1366 1367 1367 1368 1369 1370 1371 1369 1370 1371 1370 1371 1371 1374 1373 1374 1375 1376 1377 1378 1379 1380 1381 1382 1374 1375 1376 1378 1379 1375 1376 1377 1378 1379 1376 1377 1378 1377 1378 0 1379 1380 1381 1382 1383 1380 1381 1382 1383 1384 1385 1386 1381 1382 1383 1382 1383 1383 1384 1385 1386 1387 1388 1403 1384 1385 1386 1387 1388 1389 1403 1404 1405 1409 1385 1386 1387 1388 1403 1386 1387 1388 1403 1387 1388 1389 1390 1391 1403 1404 1405 1406 1407 1409 1410 1388 1389 1403 1404 1405 1409 1389 1390 1391 1392 1401 1403 1404 1405 1406 1407 1409 1390 1391 1392 1393 1394 1400 1401 1402 1403 1404 1405 1406 1407 1408 1409 1391 1392 1401 1403 1405 1406 1407 1392 1393 1394 1395 1396 1400 1401 1402 1403 1405 1406 1407 1393 1394 1395 1396 1397 1400 1401 1402 1405 1394 1395 1396 1401 1395 1396 1397 1398 1399 1400 1401 1396 1397 1400 1397 1398 1399 1400 1401 1402 1398 1399 1400 1401 1399 1400 1400 1401 1402 1402 1405 0 1404 1405 1406 1407 1408 1409 1410 1411 1412 1413 1405 1406 1407 1409 1410 1406 1407 1408 1409 1410 1407 1408 1409 1408 1409 0 1410 1411 1412 1413 1414 1411 1412 1413 1414 1415 1416 1417 1412 1413 1414 1413 1414 1414 1415 1416 1417 1418 1419 1436 1415 1416 1417 1418 1419 1420 1436 1437 1438 1442 1416 1417 1418 1419 1436 1417 1418 1419 1436 1418 1419 1420 1421 1422 1436 1437 1438 1439 1440 1442 1443 1419 1420 1436 1437 1438 1442 1420 1421 1422 1423 1435 1436 1437 1438 1439 1440 1442 1421 1422 1423 1424 1425 1426 1434 1435 1436 1437 1438 1439 1440 1441 1442 1422 1423 1435 1436 1438 1439 1440 1423 1424 1425 1426 1427 1432 1434 1435 1436 1438 1439 1440 1424 1425 1426 1427 1434 1435 1438 1425 1426 1435 1426 1427 1428 1431 1434 1435 1427 1428 1429 1430 1431 1432 1434 1435 1428 1429 1430 1431 1432 1433 1434 1435 1429 1430 1431 1432 1435 1430 1431 1431 1432 1433 1434 1435 1433 1434 1435 1434 1435 1435 1438 1437 1438 1439 1440 1441 1442 1443 1444 1445 1446 1438 1439 1440 1442 1443 1439 1440 1441 1442 1443 1440 1441 1442 1441 1442 0 1443 1444 1445 1446 1447 1444 1445 1446 1447 1448 1449 1450 1445 1446 1447 1446 1447 1447 1448 1449 1450 1451 1452 1469 1448 1449 1450 1451 1452 1453 1469 1470 1471 1475 1449 1450 1451 1452 1469 1450 1451 1452 1469 1451 1452 1453 1454 1455 1469 1470 1471 1472 1473 1475 1476 1452 1453 1469 1470 1471 1475 1453 1454 1455 1456 1468 1469 1470 1471 1472 1473 1475 1454 1455 1456 1457 1458 1459 1467 1468 1469 1470 1471 1472 1473 1474 1475 1455 1456 1468 1469 1471 1472 1473 1456 1457 1458 1459 1460 1465 1467 1468 1469 1471 1472 1473 1457 1458 1459 1460 1467 1468 1471 1458 1459 1468 1459 1460 1461 1464 1467 1468 1460 1461 1462 1463 1464 1465 1467 1468 1461 1462 1463 1464 1465 1466 1467 1468 1462 1463 1464 1465 1468 1463 1464 1464 1465 1466 1467 1468 1466 1467 1468 1467 1468 1468 1471 1470 1471 1472 1473 1474 1475 1476 1477 1478 1479 1471 1472 1473 1475 1476 1472 1473 1474 1475 1476 1473 1474 1475 1474 1475 0 1476 1477 1478 1479 1480 1477 1478 1479 1480 1481 1482 1483 1478 1479 1480 1479 1480 1480 1481 1482 1483 1484 1485 1502 1481 1482 1483 1484 1485 1486 1502 1503 1504 1508 1482 1483 1484 1485 1502 1483 1484 1485 1502 1484 1485 1486 1487 1488 1502 1503 1504 1505 1506 1508 1509 1485 1486 1502 1503 1504 1508 1486 1487 1488 1489 1501 1502 1503 1504 1505 1506 1508 1487 1488 1489 1490 1491 1492 1500 1501 1502 1503 1504 1505 1506 1507 1508 1488 1489 1501 1502 1504 1505 1506 1489 1490 1491 1492 1493 1498 1500 1501 1502 1504 1505 1506 1490 1491 1492 1493 1500 1501 1504 1491 1492 1501 1492 1493 1494 1497 1500 1501 1493 1494 1495 1496 1497 1498 1500 1501 1494 1495 1496 1497 1498 1499 1500 1501 1495 1496 1497 1498 1501 1496 1497 1497 1498 1499 1500 1501 1499 1500 1501 1500 1501 1501 1504 1503 1504 1505 1506 1507 1508 1509 1504 1505 1506 1508 1509 1505 1506 1507 1508 1509 1506 1507 1508 1507 1508 0 1509 0 %FLAG HBOND_ACOEF %FORMAT(5E16.8) %FLAG HBOND_BCOEF %FORMAT(5E16.8) %FLAG HBCUT %FORMAT(5E16.8) %FLAG AMBER_ATOM_TYPE %FORMAT(20a4) N3 H H H CX HP 3C HC CT HC HC HC CT HC HC HC C O N H CX H1 3C HC CT HC HC HC 2C HC HC CT HC HC HC C O N H CX H1 C8 HC HC C8 HC HC C8 H1 H1 N2 H CA N2 H H N2 H H C O N H CX H1 H1 C O N CT H1 H1 CT HC HC CT HC HC CX H1 C O N H CX H1 CT HC HC HC C O N H CX H1 H1 C O N H CX H1 2C HC HC C O N H H C O N H CX H1 2C HC HC C O N H H C O N H CX H1 2C HC HC CO O2 O2 C O N H CX H1 2C H1 H1 SH HS C O N H CX H1 C8 HC HC C8 HC HC C8 H1 H1 N2 H CA N2 H H N2 H H C O N H CX H1 3C HC CT HC HC HC 2C HC HC CT HC HC HC C O N H CX H1 CT HC HC CA CA HA CA HA C OH HO CA HA CA HA C O N H CX H1 3C HC CT HC HC HC CT HC HC HC C O N H CX H1 H1 C O N H CX H1 2C HC HC C O N H H C O N H CX H1 2C HC HC 3C HC CT HC HC HC CT HC HC HC C O N CT H1 H1 CT HC HC CT HC HC CX H1 C O N CT H1 H1 CT HC HC CT HC HC CX H1 C O N H CX H1 2C HC HC CO O2 O2 C O N H CX H1 3C HC CT HC HC HC 2C HC HC CT HC HC HC C O N H CX H1 C8 HC HC C8 HC HC C8 H1 H1 N2 H CA N2 H H N2 H H C O N H CX H1 3C H1 CT HC HC HC OH HO C O N H CX H1 C8 HC HC C8 HC HC C8 HC HC C8 HP HP N3 H H H C O N H CX H1 2C HC HC CO O2 O2 C O N H CX H1 3C HC CT HC HC HC 2C HC HC CT HC HC HC C O N H CX H1 2C HC HC 2C HC HC CO O2 O2 C O N H CX H1 2C HC HC CO O2 O2 C O N H CX H1 3C HC CT HC HC HC CT HC HC HC C O N H CX H1 CT HC HC CA CA HA CA HA CA HA CA HA CA HA C O N H CX H1 2C H1 H1 OH HO C O N H CX H1 C8 HC HC C8 HC HC C8 HC HC C8 HP HP N3 H H H C O N H CX H1 CT HC HC CA CA HA CA HA C OH HO CA HA CA HA C O N H CX H1 H1 C O N H CX H1 CT HC HC HC C O N H CX H1 3C HC CT HC HC HC 2C HC HC CT HC HC HC C O N H CX H1 C8 HC HC C8 HC HC C8 H1 H1 N2 H CA N2 H H N2 H H C O N H CX H1 2C HC HC CO O2 O2 C O N H CX H1 3C HC CT HC HC HC 2C HC HC CT HC HC HC C O N H CX H1 2C HC HC CO O2 O2 C O N H CX H1 2C HC HC 3C HC CT HC HC HC CT HC HC HC C O N H CX H1 C8 HC HC C8 HC HC C8 HC HC C8 HP HP N3 H H H C O N H CX H1 2C HC HC C O N H H C O N H CX H1 C8 HC HC C8 HC HC C8 H1 H1 N2 H CA N2 H H N2 H H C O N H CX H1 C8 HC HC C8 HC HC C8 H1 H1 N2 H CA N2 H H N2 H H C O N H CX H1 H1 C O N H CX H1 H1 C O N CT H1 H1 CT HC HC CT HC HC CX H1 C O N CT H1 H1 CT HC HC CT HC HC CX H1 C O N H CX H1 CT HC HC CA CA HA CA HA CA HA CA HA CA HA C O N H CX H1 CT HC HC HC C O N H CX H1 CT HC HC CA CA HA CA HA CA HA CA HA CA HA C O N H CX H1 3C HC CT HC HC HC CT HC HC HC C O N H CX H1 2C HC HC 2C HC HC CO O2 O2 C O N H CX H1 CT HC HC CA CA HA CA HA CA HA CA HA CA HA C O N H CX H1 2C HC HC 2C HC HC CO O2 O2 C O N H CX H1 2C HC HC CO O2 O2 C O N CT H1 H1 CT HC HC CT HC HC CX H1 C O N H CX H1 C8 HC HC C8 HC HC C8 H1 H1 N2 H CA N2 H H N2 H H C O N H CX H1 2C HC HC CO O2 O2 C O N H CX H1 CT HC HC HC C O N H CX H1 2C HC HC 2C HC HC CO O2 O2 C O N H CX H1 2C HC HC CO O2 O2 C O N H CX H1 CT HC HC HC C O N H CX H1 3C HC CT HC HC HC CT HC HC HC C O N H CX H1 2C H1 H1 OH HO C O N H CX H1 H1 C O N H CX H1 C8 HC HC C8 HC HC C8 H1 H1 N2 H CA N2 H H N2 H H C O N H CX H1 2C HC HC CO O2 O2 C O N H CX H1 H1 C O N H CX H1 CT HC HC CA CA HA CA HA C OH HO CA HA CA HA C O N H CX H1 2C HC HC CO O2 O2 C O N H CX H1 CT HC HC CA CA HA CA HA C OH HO CA HA CA HA C O N H CX H1 2C HC HC CO O2 O2 C O N H CX H1 H1 C O N H CX H1 CT HC HC CA CA HA CA HA C OH HO CA HA CA HA C O N H CX H1 C8 HC HC C8 HC HC C8 H1 H1 N2 H CA N2 H H N2 H H C O N H CX H1 2C HC HC 3C HC CT HC HC HC CT HC HC HC C O N H CX H1 C8 HC HC C8 HC HC C8 H1 H1 N2 H CA N2 H H N2 H H C O N H CX H1 3C HC CT HC HC HC CT HC HC HC C O N H CX H1 2C HC HC 2C HC HC CO O2 O2 C O N H CX H1 CT HC HC CA CA HA CA HA CA HA CA HA CA HA C O N CT H1 H1 CT HC HC CT HC HC CX H1 C O2 O2 HO OH CT H1 H1 CT H1 OS CT H2 N* CK H5 NB CB CA N2 H H NC CQ H5 NC CB CT H1 CT H1 OH HO OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CK H5 NB CB CA N2 H H NC CQ H5 NC CB CT H1 CT H1 OH HO OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CM H4 CM HA 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 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 OH HO %FLAG TREE_CHAIN_CLASSIFICATION %FORMAT(20a4) BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA 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 B E B B E E B E E M E M E M E E M E M 3 E E 3 E E B E E M E M E M E M E 3 E E 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 B E E M E M E M E 3 E E B 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 3 E E E 3 E E 3 E E E M E M E M E 3 E E B B E B E B S E S E S E M E M E M E 3 E 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 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 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 B E B B E E B E E M E M E M E 3 E 3 E E E S E M E M E M E 3 E E 3 E E 3 E E 3 E E 3 E E E M E M E M E 3 E E B E E M E M E M E 3 E 3 E E E 3 E E 3 E E E M E M E M E 3 E E 3 E E B E E M E M E M E 3 E E B 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 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 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 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 B E B B E E B E E M E M E M E 3 E E B E E M E M E M E 3 E 3 E E E 3 E E 3 E E E M E M E M E 3 E E B E E M E M E M E 3 E E 3 E 3 E E E 3 E E E M E M E M E 3 E E 3 E 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 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 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 B E B E B E S E S E M E M E M 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 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 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 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 3 E E B E B B E E B E E M E M E M E 3 E 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 B E E M E M E M E 3 E E B 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 S E M E M E M 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 E M E M E M E E M E M E M E 3 E E B B E B E B S E S E S E M E M E M E 3 E E B E E M E M E M E 3 E E B B E B E B S E S E S E M E M E M E 3 E E B E E M E M E M E E M E M E M E 3 E E B B E B E B S E S E S E M E M E M E 3 E E 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 3 E E 3 E E B E B B E E B E E M E M E M E 3 E 3 E E E 3 E E E M E M E M E 3 E E 3 E E B E E M E M E M E 3 E E 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 M M M E E M E S 3 E B S E E B B B E E S S E E B M E B E S E M M E E M M E E M E S 3 E B S E E B B B E E S S E E B M E B E S E M M E E M M E E M E S 3 E B S E S E B B E E S B E M E B E S E M M E E M M E E M E S 3 E B S E 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 B E E S S E E B M E B E S E M M %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 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