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