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