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