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