new index	atom name	original index
1	C	7
2	C	8
3	C	11
4	C	15
5	C	6
6	C	14
7	C	13
8	C	17
9	C	16
10	C	10
11	C	4
12	F	1
13	F	2
14	F	3
15	N	12
16	N	9
17	O	5
18	H	21
19	H	22
20	H	23
21	H	24
22	H	26
23	H	28
24	H	19
25	H	20
26	H	27
27	H	25
28	H	18
