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