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