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