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