new index	atom name	original index
1	C	3
2	C	2
3	C	4
4	C	1
5	C	10
6	C	8
7	C	9
8	C	5
9	C	6
10	O	11
11	S	7
12	H	14
13	H	13
14	H	15
15	H	12
16	H	17
17	H	18
18	H	16
19	H	19
