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