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