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