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