new index	atom name	original index
1	C	9
2	C	10
3	C	7
4	C	3
5	C	5
6	C	2
7	C	8
8	C	11
9	C	6
10	C	4
11	O	1
12	H	23
13	H	22
14	H	24
15	H	26
16	H	27
17	H	25
18	H	19
19	H	18
20	H	20
21	H	15
22	H	16
23	H	17
24	H	13
25	H	14
26	H	21
27	H	28
28	H	29
29	H	12