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