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