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