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