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