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