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