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