new index	atom name	original index
1	C	8
2	C	7
3	C	12
4	C	13
5	C	6
6	C	14
7	C	4
8	C	10
9	C	3
10	C	2
11	C	9
12	C	5
13	N	1
14	N	11
15	O	15
16	H	26
17	H	25
18	H	24
19	H	23
20	H	29
21	H	30
22	H	22
23	H	31
24	H	20
25	H	21
26	H	27
27	H	28
28	H	18
29	H	19
30	H	16
31	H	17
