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