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