new index	atom name	original index
1	C	4
2	C	6
3	C	7
4	C	8
5	C	5
6	N	2
7	N	3
8	N	1
9	H	9
10	H	10
11	H	11
12	H	12
13	H	14
14	H	15
15	H	16
16	H	17
17	H	13