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