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