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