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