1PSF
2
3      1 !NTITLE
4 Conversion from AMBER PARMTOP ::MOL
5
6      4 !NATOM
7      1 MOL01      1  MOL  O1   oh    -0.42497  16.00000      0
8      2 MOL01      1  MOL  H2   ho     0.42497   1.00800      0
9      3 MOL01      1  MOL  O2   oh    -0.42497  16.00000      0
10      4 MOL01      1  MOL  H1   ho     0.42497   1.00800      0
11
12   3  !NBOND
13      1      2      3      4      1      3
14
15   2  !NTHETA
16      1      3      4      2      1      3
17
18   1  !NPHI
19      2      1      3      4
20
21   0  !NIMPHI
22
23  0 !NDON
24
25  0 !NACC
26
27  0 !NNB
28
29  0 !NGRP
30
31