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