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