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