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