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