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