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