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