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