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