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