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