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