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