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