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