# ATOMDATA	Id	type	x=3	u=3	F=3	neighbors=2
# Box	10	0	0	0	10	0	0	0	10
1	O	5	5	4.628	0	0	0	0	0	0	2	3	
2	H	5.72	5	5.186	0	0	0	0	0	0	1	0	
3	H	4.28	5	5.186	0	0	0	0	0	0	1	0	
# ATOMDATA	Id	type	x=3	u=3	F=3	neighbors=2
1	O	5	5	4.628	5.026486633e-16	5.079728472e-16	-0.0005547061447	3.217982862e-14	3.250823033e-14	-0.03549897444	2	3	
2	H	5.72	5	5.186	0.008368844759	-4.037712516e-15	0.004402154568	0.03374318207	-1.628005687e-14	0.01774948722	1	0	
3	H	4.28	5	5.186	-0.008368844759	-4.024844609e-15	0.004402154568	-0.03374318207	-1.622817346e-14	0.01774948722	1	0