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