new index	atom name	original index
1	C	12
2	C	9
3	C	11
4	C	8
5	C	6
6	C	16
7	C	10
8	C	7
9	C	5
10	C	17
11	C	4
12	C	3
13	C	13
14	Cl	1
15	Cl	2
16	O	18
17	O	19
18	O	14
19	O	15
20	H	26
21	H	28
22	H	27
23	H	22
24	H	23
25	H	24
26	H	25
27	H	21
28	H	20
29	H	29
30	H	30
31	H	31
