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