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