new index	atom name	original index
1	C	12
2	C	13
3	C	9
4	C	11
5	C	8
6	C	10
7	C	4
8	C	6
9	C	7
10	C	3
11	C	5
12	C	1
13	C	2
14	H	22
15	H	23
16	H	19
17	H	21
18	H	18
19	H	20
20	H	14
21	H	15
22	H	16
23	H	17
