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