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