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