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