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