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