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