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