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