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