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