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