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