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