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