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