new index	atom name	original index
1	C	11
2	C	10
3	C	9
4	C	8
5	C	7
6	C	6
7	N	5
8	O	2
9	O	3
10	O	4
11	S	1
12	H	15
13	H	14
14	H	13
15	H	12
16	H	16
17	H	17
18	H	18