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