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