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