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