new index	atom name	original index
1	C	1
2	C	12
3	C	7
4	C	2
5	C	11
6	C	8
7	C	6
8	C	5
9	C	4
10	N	10
11	O	3
12	O	13
13	S	9
14	H	14
15	H	19
16	H	16
17	H	15
18	H	18
19	H	17
20	H	20
