new index	atom name	original index
1	C	4
2	C	5
3	C	6
4	C	7
5	C	8
6	C	9
7	N	3
8	O	1
9	O	2
10	H	13
11	H	14
12	H	15
13	H	16
14	H	17
15	H	18
16	H	19
17	H	20
18	H	21
19	H	22
20	H	11
21	H	12
22	H	10
