new index	atom name	original index
1	C	3
2	C	4
3	C	2
4	C	6
5	C	7
6	C	5
7	C	1
8	C	9
9	C	8
10	O	12
11	O	10
12	O	11
13	H	15
14	H	16
15	H	13
16	H	14
17	H	19
18	H	20
19	H	17
20	H	18
21	H	22
22	H	21
