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