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