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