# ATOMDATA	Id	type	x=3	u=3	F=3	neighbors=2
# Box	10	0	0	0	10	0	0	0	10
1	C	4.3755	5.44175	5	0	0	0	0	0	0	2	3	
2	C	5.6245	4.55875	5	0	0	0	0	0	0	1	5	
3	H	4.3755	6.07075	4.11	0	0	0	0	0	0	1	0	
4	H	4.3755	6.07075	5.89	0	0	0	0	0	0	1	0	
5	H	5.6245	3.92875	4.11	0	0	0	0	0	0	2	0	
6	H	5.6245	3.92875	5.89	0	0	0	0	0	0	2	0	
7	H	3.4855	4.81275	5	0	0	0	0	0	0	1	0	
8	H	6.5145	5.18775	5	0	0	0	0	0	0	2	0	
# ATOMDATA	Id	type	x=3	u=3	F=3	neighbors=2
1	C	4.3755	5.44175	5	-3.57001469e-05	2.50192479e-05	-9.461310916e-16	-0.001715177858	0.001202024746	-4.545636187e-14	2	3	
2	C	5.6245	4.55875	5	3.564538842e-05	-3.177753901e-05	-9.588556501e-16	0.001712547041	-0.001526720084	-4.606770055e-14	1	5	
3	H	4.3755	6.07075	4.11	-0.0005261979678	-8.119135819e-05	0.000654128466	-0.002121630206	-0.0003273635562	0.002637445975	1	0	
4	H	4.3755	6.07075	5.89	-0.0005261979678	-8.119135819e-05	-0.000654128466	-0.002121630206	-0.0003273635562	-0.002637445975	1	0	
5	H	5.6245	3.92875	4.11	0.0005263500211	0.0001243574185	0.000684367619	0.002122243285	0.0005014091116	0.00275937024	2	0	
6	H	5.6245	3.92875	5.89	0.0005263500211	0.0001243574185	-0.000684367619	0.002122243285	0.0005014091116	-0.00275937024	2	0	
7	H	3.4855	4.81275	5	0.0001270257901	0.0008262654819	4.087023093e-15	0.0005121679859	0.003331502423	1.647884021e-14	1	0	
8	H	6.5145	5.18775	5	-0.0001266774126	-0.000832068005	4.271404657e-15	-0.0005107633276	-0.003354898196	1.722226667e-14	2	0