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