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