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