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