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