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