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