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	C	12
13	C	13
14	N	14
15	O	15
16	O	16
17	S	17
18	H	20
19	H	18
20	H	19
21	H	23
22	H	22
23	H	21
24	H	24
25	H	25
26	H	26
27	H	27
28	H	28
29	H	29
30	H	30
