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