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