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