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