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