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