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