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