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