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	N	10
11	O	11
12	O	12
13	S	13
14	H	16
15	H	15
16	H	14
17	H	18
18	H	17
19	H	19
20	H	21
21	H	20
22	H	22
23	H	23
