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