new index	atom name	original index
1	C	11
2	C	12
3	C	9
4	C	10
5	C	6
6	C	8
7	C	5
8	C	7
9	C	4
10	C	2
11	C	3
12	C	1
13	H	21
14	H	22
15	H	19
16	H	20
17	H	15
18	H	18
19	H	13
20	H	14
21	H	16
22	H	17
