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