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