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