new index	atom name	original index
1	C	4
2	C	3
3	C	6
4	C	7
5	C	1
6	C	5
7	C	2
8	C	9
9	N	11
10	N	10
11	O	8
12	S	12
13	H	15
14	H	14
15	H	16
16	H	19
17	H	17
18	H	20
19	H	13
20	H	18
