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