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	N	10
11	N	11
12	O	12
13	S	13
14	H	15
15	H	16
16	H	14
17	H	19
18	H	17
19	H	18
20	H	22
21	H	20
22	H	21
23	H	23
24	H	24
25	H	25
26	H	26
27	H	27
