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