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