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