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