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