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