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