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