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