new index	atom name	original index
1	C	8
2	C	7
3	C	9
4	C	4
5	C	3
6	C	6
7	C	11
8	C	5
9	C	2
10	C	10
11	N	1
12	O	12
13	H	20
14	H	21
15	H	18
16	H	19
17	H	22
18	H	23
19	H	16
20	H	15
21	H	17
22	H	13
23	H	14
