new index	atom name	original index
1	C	2
2	C	9
3	C	3
4	C	8
5	C	5
6	C	6
7	N	1
8	N	10
9	N	4
10	N	7
11	H	13
12	H	14
13	H	25
14	H	26
15	H	15
16	H	16
17	H	23
18	H	24
19	H	18
20	H	19
21	H	20
22	H	21
23	H	11
24	H	12
25	H	27
26	H	28
27	H	17
28	H	22
