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