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