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