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