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