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