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