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