new index	atom name	original index
1	C	13
2	C	10
3	C	9
4	C	11
5	C	8
6	C	3
7	C	4
8	C	12
9	C	7
10	C	1
11	C	5
12	O	2
13	O	6
14	H	20
15	H	19
16	H	21
17	H	17
18	H	16
19	H	18
20	H	15
21	H	14
