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PSF
3 !NTITLE
REMARKS original generated structure x-plor psf file
REMARKS topology toppar_water_ions.top
REMARKS segment WAT { first NONE; last NONE; auto none }
15 !NATOM
1 WAT 5 TIP3 OH2 OT -0.834000 15.9994 0
2 WAT 5 TIP3 H1 HT 0.417000 1.0080 0
3 WAT 5 TIP3 H2 HT 0.417000 1.0080 0
4 WAT 7 TIP3 OH2 OT -0.834000 15.9994 0
5 WAT 7 TIP3 H1 HT 0.417000 1.0080 0
6 WAT 7 TIP3 H2 HT 0.417000 1.0080 0
7 WAT 8 TIP3 OH2 OT -0.834000 15.9994 0
8 WAT 8 TIP3 H1 HT 0.417000 1.0080 0
9 WAT 8 TIP3 H2 HT 0.417000 1.0080 0
10 WAT 15 TIP3 OH2 OT -0.834000 15.9994 0
11 WAT 15 TIP3 H1 HT 0.417000 1.0080 0
12 WAT 15 TIP3 H2 HT 0.417000 1.0080 0
13 WAT 21 TIP3 OH2 OT -0.834000 15.9994 0
14 WAT 21 TIP3 H1 HT 0.417000 1.0080 0
15 WAT 21 TIP3 H2 HT 0.417000 1.0080 0
15 !NBOND: bonds
1 2 1 3 2 3 4 5
4 6 5 6 7 8 7 9
8 9 10 11 10 12 11 12
13 14 13 15 14 15
5 !NTHETA: angles
2 1 3 5 4 6 8 7 9
11 10 12 14 13 15
0 !NPHI: dihedrals
0 !NIMPHI: impropers
0 !NDON: donors
0 !NACC: acceptors
0 !NNB
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0
1 0 !NGRP
0 0 0
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