new index	atom name	original index
1	C	3
2	C	5
3	C	7
4	C	2
5	C	6
6	C	8
7	N	4
8	O	10
9	O	11
10	O	12
11	O	1
12	S	9
13	H	15
14	H	16
15	H	18
16	H	19
17	H	22
18	H	23
19	H	13
20	H	14
21	H	20
22	H	21
23	H	24
24	H	25
25	H	17
