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