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