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