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