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