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lysozyme.prmtop
9825 lines (9821 loc) · 776 KB
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lysozyme.prmtop
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%VERSION VERSION_STAMP = V0001.000 DATE = 09/13/07 15:26:22
%FLAG TITLE
%FORMAT(20a4)
%FLAG POINTERS
%FORMAT(10I8)
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10733 129 1025 1389 3449 42 89 44 27 0
0 0 0 0 0 0 0 0 24 0
0
%FLAG ATOM_NAME
%FORMAT(20a4)
N H1 H2 H3 CA HA CB HB2 HB3 CG HG2 HG3 CD HD2 HD3 CE HE2 HE3 NZ HZ1
HZ2 HZ3 C O N H CA HA CB HB CG1 HG11HG12HG13CG2 HG21HG22HG23C O
N H CA HA CB HB2 HB3 CG CD1 HD1 CE1 HE1 CZ HZ CE2 HE2 CD2 HD2 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 SG C
O N H CA HA CB HB2 HB3 CG HG2 HG3 CD OE1 OE2 C O N H CA HA
CB HB2 HB3 CG HG CD1 HD11HD12HD13CD2 HD21HD22HD23C O N H CA HA CB
HB1 HB2 HB3 C O N H CA HA CB HB1 HB2 HB3 C O N H CA HA CB
HB1 HB2 HB3 C O N H CA HA CB HB2 HB3 CG HG2 HG3 SD CE HE1 HE2 HE3
C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD HD2 HD3 CE HE2 HE3 NZ HZ1
HZ2 HZ3 C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD HD2 HD3 NE HE CZ
NH1 HH11HH12NH2 HH21HH22C O N H CA HA CB HB2 HB3 CG ND1 HD1 CE1 HE1
NE2 CD2 HD2 C O N H CA HA2 HA3 C O N H CA HA CB HB2 HB3 CG
HG CD1 HD11HD12HD13CD2 HD21HD22HD23C O N H CA HA CB HB2 HB3 CG OD1
OD2 C O N H CA HA CB HB2 HB3 CG OD1 ND2 HD21HD22C O N H CA
HA CB HB2 HB3 CG CD1 HD1 CE1 HE1 CZ 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 HH11HH12NH2 HH21HH22
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 OG HG C
O N H CA HA CB HB2 HB3 CG HG CD1 HD11HD12HD13CD2 HD21HD22HD23C 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 CD1 HD1 NE1 HE1 CE2 CZ2 HZ2 CH2 HH2 CZ3 HZ3
CE3 HE3 CD2 C O N H CA HA CB HB CG1 HG11HG12HG13CG2 HG21HG22HG23C
O N H CA HA CB HB2 HB3 SG C O N H CA HA CB HB1 HB2 HB3 C
O N H CA HA CB HB1 HB2 HB3 C O N H CA HA CB HB2 HB3 CG HG2
HG3 CD HD2 HD3 CE HE2 HE3 NZ HZ1 HZ2 HZ3 C O N H CA HA CB HB2 HB3
CG 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 OG HG C O N
H CA HA CB HB2 HB3 CG OD1 ND2 HD21HD22C O N H CA HA CB HB2 HB3
CG CD1 HD1 CE1 HE1 CZ HZ CE2 HE2 CD2 HD2 C O N H CA HA CB HB2 HB3
CG OD1 ND2 HD21HD22C O N H CA HA CB HB CG2 HG21HG22HG23OG1 HG1 C
O N H CA HA CB HB2 HB3 CG HG2 HG3 CD OE1 NE2 HE21HE22C O N H
CA HA CB HB1 HB2 HB3 C O N H CA HA CB HB CG2 HG21HG22HG23OG1 HG1
C O N H CA HA CB HB2 HB3 CG OD1 ND2 HD21HD22C O N H CA HA
CB HB2 HB3 CG HG2 HG3 CD HD2 HD3 NE HE CZ NH1 HH11HH12NH2 HH21HH22C O
N H CA HA CB HB2 HB3 CG OD1 ND2 HD21HD22C O N H CA HA CB HB
CG2 HG21HG22HG23OG1 HG1 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 OG HG C O N H
CA HA CB HB CG2 HG21HG22HG23OG1 HG1 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 HA2 HA3 C O N H CA HA CB HB CG2 HG21
HG22HG23CG1 HG12HG13CD1 HD11HD12HD13C O N H CA HA CB HB2 HB3 CG HG
CD1 HD11HD12HD13CD2 HD21HD22HD23C O N H CA HA CB HB2 HB3 CG HG2 HG3
CD OE1 NE2 HE21HE22C O N H CA HA CB HB CG2 HG21HG22HG23CG1 HG12HG13
CD1 HD11HD12HD13C O N H CA HA CB HB2 HB3 CG OD1 ND2 HD21HD22C O
N H CA HA CB HB2 HB3 OG HG C O N H CA HA CB HB2 HB3 CG HG2
HG3 CD HD2 HD3 NE HE CZ NH1 HH11HH12NH2 HH21HH22C O N H CA HA CB
HB2 HB3 CG CD1 HD1 NE1 HE1 CE2 CZ2 HZ2 CH2 HH2 CZ3 HZ3 CE3 HE3 CD2 C O N
H CA HA CB HB2 HB3 CG CD1 HD1 NE1 HE1 CE2 CZ2 HZ2 CH2 HH2 CZ3 HZ3 CE3 HE3
CD2 C O N H CA HA CB HB2 HB3 SG C 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 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 HB CG2 HG21HG22HG23
OG1 HG1 C O N CD HD2 HD3 CG HG2 HG3 CB HB2 HB3 CA HA C O N H
CA HA2 HA3 C O N H CA HA CB HB2 HB3 OG HG C O N H CA HA
CB HB2 HB3 CG HG2 HG3 CD HD2 HD3 NE HE CZ NH1 HH11HH12NH2 HH21HH22C O
N H CA HA CB HB2 HB3 CG OD1 ND2 HD21HD22C O N H CA HA CB HB2
HB3 CG HG CD1 HD11HD12HD13CD2 HD21HD22HD23C O N H CA HA CB HB2 HB3
SG C O N H CA HA CB HB2 HB3 CG OD1 ND2 HD21HD22C O N H CA
HA CB HB CG2 HG21HG22HG23CG1 HG12HG13CD1 HD11HD12HD13C O N CD HD2 HD3
CG HG2 HG3 CB HB2 HB3 CA HA C O N H CA HA CB HB2 HB3 SG C O
N H CA HA CB HB2 HB3 OG HG C O N H CA HA CB HB1 HB2 HB3 C
O N H CA HA CB HB2 HB3 CG HG CD1 HD11HD12HD13CD2 HD21HD22HD23C O
N H CA HA CB HB2 HB3 CG HG CD1 HD11HD12HD13CD2 HD21HD22HD23C O N
H CA HA CB HB2 HB3 OG HG C O N H CA HA CB HB2 HB3 OG HG 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 HB CG2 HG21
HG22HG23OG1 HG1 C O N H CA HA CB HB1 HB2 HB3 C O N H CA HA
CB HB2 HB3 OG HG C O N H CA HA CB HB CG1 HG11HG12HG13CG2 HG21HG22
HG23C O N H CA HA CB HB2 HB3 CG OD1 ND2 HD21HD22C O N H CA
HA CB HB2 HB3 SG C O N H CA HA CB HB1 HB2 HB3 C O N H CA
HA CB HB2 HB3 CG HG2 HG3 CD HD2 HD3 CE HE2 HE3 NZ HZ1 HZ2 HZ3 C O N
H CA HA CB HB2 HB3 CG HG2 HG3 CD HD2 HD3 CE HE2 HE3 NZ HZ1 HZ2 HZ3 C
O N H CA HA CB HB CG2 HG21HG22HG23CG1 HG12HG13CD1 HD11HD12HD13C O
N H CA HA CB HB CG1 HG11HG12HG13CG2 HG21HG22HG23C O N H CA HA
CB HB2 HB3 OG HG 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 OD1 ND2 HD21HD22C O
N H CA HA2 HA3 C O N H CA HA CB HB2 HB3 CG HG2 HG3 SD CE HE1
HE2 HE3 C O N H CA HA CB HB2 HB3 CG OD1 ND2 HD21HD22C O N H
CA HA CB HB1 HB2 HB3 C O N H CA HA CB HB2 HB3 CG CD1 HD1 NE1 HE1
CE2 CZ2 HZ2 CH2 HH2 CZ3 HZ3 CE3 HE3 CD2 C O N H CA HA CB HB CG1 HG11
HG12HG13CG2 HG21HG22HG23C O N H CA HA CB HB1 HB2 HB3 C O N H
CA HA CB HB2 HB3 CG CD1 HD1 NE1 HE1 CE2 CZ2 HZ2 CH2 HH2 CZ3 HZ3 CE3 HE3 CD2
C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD HD2 HD3 NE HE CZ NH1 HH11
HH12NH2 HH21HH22C 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 SG 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 HA2
HA3 C O N H CA HA CB HB CG2 HG21HG22HG23OG1 HG1 C O N H CA
HA CB HB2 HB3 CG OD1 OD2 C O N H CA HA CB HB CG1 HG11HG12HG13CG2
HG21HG22HG23C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD OE1 NE2 HE21HE22
C O N H CA HA CB HB1 HB2 HB3 C O N H CA HA CB HB2 HB3 CG
CD1 HD1 NE1 HE1 CE2 CZ2 HZ2 CH2 HH2 CZ3 HZ3 CE3 HE3 CD2 C O N H CA HA
CB HB CG2 HG21HG22HG23CG1 HG12HG13CD1 HD11HD12HD13C O N H CA HA CB
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H CA HA2 HA3 C O N H CA HA CB HB2 HB3 SG C O N H CA HA
CB HB2 HB3 CG HG2 HG3 CD HD2 HD3 NE HE CZ NH1 HH11HH12NH2 HH21HH22C O
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%FLAG CHARGE
%FORMAT(5E16.8)
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-6.96274083E+00 4.88539863E+00 -5.18788881E+00 2.45272158E+00 -4.49908587E+00
1.77485202E+00 1.77485202E+00 6.75318438E+00 -6.81514020E-01 -7.58594349E+00
1.89147474E+00 1.89147474E+00 1.89147474E+00 -7.58594349E+00 1.89147474E+00
1.89147474E+00 1.89147474E+00 1.51718870E+01 -1.49404638E+01 -1.49404638E+01
%FLAG MASS
%FORMAT(5E16.8)
1.40100000E+01 1.00800000E+00 1.00800000E+00 1.00800000E+00 1.20100000E+01
1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.20100000E+01
1.00800000E+00 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00
1.20100000E+01 1.00800000E+00 1.00800000E+00 1.40100000E+01 1.00800000E+00
1.00800000E+00 1.00800000E+00 1.20100000E+01 1.60000000E+01 1.40100000E+01
1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00
1.20100000E+01 1.00800000E+00 1.00800000E+00 1.00800000E+00 1.20100000E+01
1.00800000E+00 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.60000000E+01
1.40100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01
1.00800000E+00 1.00800000E+00 1.20100000E+01 1.20100000E+01 1.00800000E+00
1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01
1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.60000000E+01
1.40100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00
1.20100000E+01 1.60000000E+01 1.40100000E+01 1.00800000E+00 1.20100000E+01
1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.20100000E+01
1.00800000E+00 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00
1.40100000E+01 1.00800000E+00 1.20100000E+01 1.40100000E+01 1.00800000E+00
1.00800000E+00 1.40100000E+01 1.00800000E+00 1.00800000E+00 1.20100000E+01
1.60000000E+01 1.40100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00
1.20100000E+01 1.00800000E+00 1.00800000E+00 3.20600000E+01 1.20100000E+01
1.60000000E+01 1.40100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00
1.20100000E+01 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.00800000E+00
1.00800000E+00 1.20100000E+01 1.60000000E+01 1.60000000E+01 1.20100000E+01
1.60000000E+01 1.40100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00
1.20100000E+01 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.00800000E+00
1.20100000E+01 1.00800000E+00 1.00800000E+00 1.00800000E+00 1.20100000E+01
1.00800000E+00 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.60000000E+01
1.40100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01
1.00800000E+00 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.60000000E+01
1.40100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01
1.00800000E+00 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.60000000E+01
1.40100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01
1.00800000E+00 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.60000000E+01
1.40100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01
1.00800000E+00 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00
3.20600000E+01 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.00800000E+00
1.20100000E+01 1.60000000E+01 1.40100000E+01 1.00800000E+00 1.20100000E+01
1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.20100000E+01
1.00800000E+00 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00
1.20100000E+01 1.00800000E+00 1.00800000E+00 1.40100000E+01 1.00800000E+00
1.00800000E+00 1.00800000E+00 1.20100000E+01 1.60000000E+01 1.40100000E+01
1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00
1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.20100000E+01
1.00800000E+00 1.00800000E+00 1.40100000E+01 1.00800000E+00 1.20100000E+01
1.40100000E+01 1.00800000E+00 1.00800000E+00 1.40100000E+01 1.00800000E+00
1.00800000E+00 1.20100000E+01 1.60000000E+01 1.40100000E+01 1.00800000E+00
1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00
1.20100000E+01 1.40100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00
1.40100000E+01 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.60000000E+01
1.40100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00
1.20100000E+01 1.60000000E+01 1.40100000E+01 1.00800000E+00 1.20100000E+01
1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.20100000E+01
1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.00800000E+00
1.20100000E+01 1.00800000E+00 1.00800000E+00 1.00800000E+00 1.20100000E+01
1.60000000E+01 1.40100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00
1.20100000E+01 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.60000000E+01
1.60000000E+01 1.20100000E+01 1.60000000E+01 1.40100000E+01 1.00800000E+00
1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00
1.20100000E+01 1.60000000E+01 1.40100000E+01 1.00800000E+00 1.00800000E+00
1.20100000E+01 1.60000000E+01 1.40100000E+01 1.00800000E+00 1.20100000E+01
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1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01
1.60000000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01
1.00800000E+00 1.20100000E+01 1.60000000E+01 1.40100000E+01 1.00800000E+00
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1.20100000E+01 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.00800000E+00
1.00800000E+00 1.40100000E+01 1.00800000E+00 1.20100000E+01 1.40100000E+01
1.00800000E+00 1.00800000E+00 1.40100000E+01 1.00800000E+00 1.00800000E+00
1.20100000E+01 1.60000000E+01 1.40100000E+01 1.00800000E+00 1.20100000E+01
1.00800000E+00 1.00800000E+00 1.20100000E+01 1.60000000E+01 1.40100000E+01
1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00
1.00800000E+00 1.20100000E+01 1.20100000E+01 1.00800000E+00 1.20100000E+01
1.00800000E+00 1.20100000E+01 1.60000000E+01 1.00800000E+00 1.20100000E+01
1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.60000000E+01
1.40100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01
1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.20100000E+01
1.60000000E+01 1.40100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00
1.20100000E+01 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.00800000E+00
1.20100000E+01 1.00800000E+00 1.00800000E+00 1.00800000E+00 1.20100000E+01
1.00800000E+00 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.60000000E+01
1.40100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00
1.20100000E+01 1.60000000E+01 1.40100000E+01 1.00800000E+00 1.20100000E+01
1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.20100000E+01
1.60000000E+01 1.40100000E+01 1.00800000E+00 1.00800000E+00 1.20100000E+01
1.60000000E+01 1.40100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00
1.20100000E+01 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.20100000E+01
1.00800000E+00 1.40100000E+01 1.00800000E+00 1.20100000E+01 1.20100000E+01
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1.40100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01
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1.60000000E+01 1.40100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00
1.20100000E+01 1.00800000E+00 1.00800000E+00 3.20600000E+01 1.20100000E+01
1.60000000E+01 1.40100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00
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1.60000000E+01 1.40100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00
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1.60000000E+01 1.40100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00
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1.00800000E+00 1.00800000E+00 1.40100000E+01 1.00800000E+00 1.00800000E+00
1.00800000E+00 1.20100000E+01 1.60000000E+01 1.40100000E+01 1.00800000E+00
1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00
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1.00800000E+00 1.20100000E+01 1.60000000E+01 1.40100000E+01 1.00800000E+00
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1.20100000E+01 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.60000000E+01
1.60000000E+01 1.20100000E+01 1.60000000E+01 1.40100000E+01 1.00800000E+00
1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00
1.60000000E+01 1.00800000E+00 1.20100000E+01 1.60000000E+01 1.40100000E+01
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