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