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