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