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