new index	atom name	original index
1	C	9
2	C	11
3	C	8
4	C	7
5	C	6
6	C	12
7	C	10
8	C	5
9	N	4
10	O	3
11	O	2
12	O	1
13	H	22
14	H	23
15	H	21
16	H	19
17	H	20
18	H	18
19	H	16
20	H	17
21	H	15
22	H	14
23	H	13
