new index	atom name	original index
1	C	8
2	C	9
3	C	6
4	C	2
5	C	10
6	C	5
7	C	3
8	C	1
9	O	11
10	O	7
11	O	4
12	H	15
13	H	17
14	H	16
15	H	18
16	H	13
17	H	12
18	H	19
19	H	20
20	H	21
21	H	14
