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