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