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