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