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