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