new index	atom name	original index
1	C	12
2	C	9
3	C	6
4	C	4
5	C	10
6	C	2
7	C	1
8	C	7
9	C	5
10	C	3
11	C	13
12	O	11
13	O	8
14	O	14
15	O	15
16	H	22
17	H	19
18	H	17
19	H	16
20	H	20
21	H	21
22	H	18
23	H	23
