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