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