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