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