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