# ATOMDATA	Id	type	x=3	neighbors=4
# Box	20	0	0	0	20	0	0	0	20
1	O	0	0	0	2	3	0	0	
2	H	0.759	0	0.504	1	0	0	0	
3	H	0.759	0	-0.504	1	0	0	0	
# ATOMDATA	Id	type	x=3	neighbors=4
1	O	0.001	0	0	2	3	0	0	
2	H	0.761	0	0.504	1	0	0	0	
3	H	0.761	0	-0.504	1	0	0	0