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