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