new index	atom name	original index
1	C	11
2	C	12
3	C	10
4	C	7
5	C	9
6	C	8
7	C	6
8	C	3
9	O	1
10	O	2
11	O	4
12	O	5
13	H	17
14	H	18
15	H	16
16	H	15
17	H	13
18	H	14
