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