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