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