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