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