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	N	7
8	O	8
9	S	9
10	S	10
11	S	11
12	H	14
13	H	12
14	H	13
15	H	16
16	H	15
17	H	17
18	H	18
19	H	19
20	H	20
