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