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