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