new index	atom name	original index
1	C	6
2	C	4
3	C	3
4	C	5
5	C	7
6	O	1
7	O	2
8	H	15
9	H	16
10	H	14
11	H	10
12	H	11
13	H	8
14	H	9
15	H	12
16	H	13
17	H	17