new index	atom name	original index
1	C	6
2	C	7
3	C	5
4	C	8
5	C	1
6	N	3
7	N	4
8	N	2
9	O	9
10	O	10
11	H	17
12	H	18
13	H	19
14	H	20
15	H	15
16	H	16
17	H	12
18	H	13
19	H	14
20	H	11
21	H	21
