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