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