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