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