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