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