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