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