# ATOMDATA	Id	type	x=3	neighbors=4	name	resName	resSeq	charge
# Box	20	0	0	0	20	0	0	0	20
1	O	1.583	1.785	1.48	2	3	0	0	OH2	TIP3	1	-0.834	
2	H	1.186	1.643	2.213	1	0	0	0	H1	TIP3	1	0.417	
3	H	2.642	1.896	1.73	1	0	0	0	H2	TIP3	1	0.417