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