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