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