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