new index	atom name	original index
1	C	9
2	C	10
3	C	8
4	C	11
5	C	7
6	C	5
7	C	13
8	C	14
9	C	3
10	C	1
11	C	12
12	O	2
13	O	4
14	O	6
15	H	20
16	H	21
17	H	19
18	H	22
19	H	18
20	H	16
21	H	15
22	H	17
