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