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