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