new index	atom name	original index
1	C	8
2	C	10
3	C	6
4	C	5
5	C	9
6	C	7
7	C	11
8	O	2
9	O	1
10	O	3
11	O	4
12	H	13
13	H	14
14	H	12
15	H	16
16	H	15
17	H	17