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