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