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