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