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