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