new index	atom name	original index
1	C	14
2	C	9
3	C	12
4	C	8
5	C	6
6	C	11
7	C	10
8	C	7
9	C	13
10	O	3
11	O	2
12	O	4
13	O	5
14	O	1
15	H	22
16	H	21
17	H	20
18	H	17
19	H	18
20	H	16
21	H	15
22	H	23
23	H	19
24	H	24
