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