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