new index	atom name	original index
1	C	3
2	C	7
3	C	4
4	C	10
5	C	16
6	C	13
7	C	9
8	C	5
9	C	6
10	C	15
11	C	17
12	C	11
13	C	8
14	C	14
15	C	12
16	O	20
17	O	18
18	O	19
19	O	1
20	O	2
21	H	21
22	H	23
23	H	22
24	H	25
25	H	27
26	H	26
27	H	24
28	H	30
29	H	28
30	H	29
