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