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