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