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