forked from deepmodeling/ADMP
-
Notifications
You must be signed in to change notification settings - Fork 0
/
Copy pathwater8.pdb
31 lines (31 loc) · 2.15 KB
/
water8.pdb
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
HEADER
TITLE Built with Packmol
REMARK Packmol generated pdb file
REMARK Home-Page: http://m3g.iqm.unicamp.br/packmol
REMARK
CRYST1 11.17 11.22 11.21 90.00 90.00 90.00 P 1 1
HETATM 1 O HOH A 1 4.767 2.823 9.371 1.00 0.00 O
HETATM 2 H1 HOH A 1 5.232 3.542 9.799 1.00 0.00 H
HETATM 3 H2 HOH A 1 4.073 2.586 9.983 1.00 0.00 H
HETATM 4 O HOH A 2 5.532 3.585 1.119 1.00 0.00 O
HETATM 5 H1 HOH A 2 5.506 2.711 1.510 1.00 0.00 H
HETATM 6 H2 HOH A 2 6.174 4.064 1.640 1.00 0.00 H
HETATM 7 O HOH A 3 7.769 7.771 0.560 1.00 0.00 O
HETATM 8 H1 HOH A 3 7.024 8.258 0.914 1.00 0.00 H
HETATM 9 H2 HOH A 3 7.938 7.087 1.204 1.00 0.00 H
HETATM 10 O HOH A 4 3.732 3.643 7.747 1.00 0.00 O
HETATM 11 H1 HOH A 4 4.090 3.982 6.926 1.00 0.00 H
HETATM 12 H2 HOH A 4 2.858 3.333 7.519 1.00 0.00 H
HETATM 13 O HOH A 5 4.782 2.735 4.448 1.00 0.00 O
HETATM 14 H1 HOH A 5 5.541 2.678 3.867 1.00 0.00 H
HETATM 15 H2 HOH A 5 4.182 2.063 4.129 1.00 0.00 H
HETATM 16 O HOH A 6 8.552 1.939 7.246 1.00 0.00 O
HETATM 17 H1 HOH A 6 8.143 1.319 6.642 1.00 0.00 H
HETATM 18 H2 HOH A 6 8.503 2.782 6.798 1.00 0.00 H
HETATM 19 O HOH A 7 0.645 5.466 9.030 1.00 0.00 O
HETATM 20 H1 HOH A 7 0.491 5.572 9.969 1.00 0.00 H
HETATM 21 H2 HOH A 7 1.009 4.587 8.942 1.00 0.00 H
HETATM 22 O HOH A 8 2.215 8.135 9.288 1.00 0.00 O
HETATM 23 H1 HOH A 8 2.424 7.277 8.918 1.00 0.00 H
HETATM 24 H2 HOH A 8 1.424 8.410 8.829 1.00 0.00 H
END