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