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