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	N	8
9	N	9
10	N	10
11	S	11
12	H	14
13	H	12
14	H	13
15	H	17
16	H	15
17	H	16
18	H	19
19	H	20
20	H	18
21	H	21
22	H	22
23	H	23
24	H	24
25	H	25
26	H	26
