new index	atom name	original index
1	C	4
2	C	9
3	C	3
4	C	10
5	C	5
6	C	8
7	C	2
8	C	11
9	C	6
10	C	7
11	C	1
12	C	12
13	N	13
14	H	16
15	H	19
16	H	15
17	H	20
18	H	17
19	H	18
20	H	14
21	H	21
22	H	22
