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