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