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