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