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