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