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