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