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