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