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