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