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