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