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