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