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