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