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