new index	atom name	original index
1	C	1
2	C	2
3	C	3
4	C	4
5	C	5
6	C	6
7	C	7
8	C	8
9	C	9
10	C	10
11	C	11
12	O	12
13	O	13
14	O	14
15	S	15
16	S	16
17	H	17
18	H	19
19	H	18
20	H	22
21	H	20
22	H	21
23	H	25
24	H	23
25	H	24
26	H	27
27	H	28
28	H	26
29	H	29
30	H	30
