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