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