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