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