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