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