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