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