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