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