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