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