new index	atom name	original index
1	C	4
2	C	5
3	C	1
4	C	3
5	C	2
6	O	6
7	H	12
8	H	11
9	H	13
10	H	14
11	H	15
12	H	16
13	H	7
14	H	8
15	H	10
16	H	9
