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