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	N	12
13	O	13
14	O	14
15	S	15
16	H	17
17	H	16
18	H	18
19	H	20
20	H	21
21	H	19
22	H	23
23	H	24
24	H	22
25	H	25
26	H	26
27	H	27
28	H	28
29	H	29
30	H	30
31	H	31
32	H	32
