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