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