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