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