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