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	15
11	H	16
12	H	17
13	H	11
14	H	12
15	H	13
16	H	14
17	H	10
18	H	20
19	H	18
20	H	19
