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