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